Daily Papers

Materials discovery and development are critical for addressing global challenges. Yet, the exponential growth in materials science literature comprising vast amounts of textual data has created significant bottlenecks in knowledge extraction, synthesis, and scientific reasoning. Large Language Models (LLMs) offer unprecedented opportunities to accelerate materials research through automated analysis and prediction. Still, their effective deployment requires domain-specific adaptation for understanding and solving domain-relevant tasks. Here, we present LLaMat, a family of foundational models for materials science developed through continued pretraining of LLaMA models on an extensive corpus of materials literature and crystallographic data. Through systematic evaluation, we demonstrate that LLaMat excels in materials-specific NLP and structured information extraction while maintaining general linguistic capabilities. The specialized LLaMat-CIF variant demonstrates unprecedented capabilities in crystal structure generation, predicting stable crystals with high coverage across the periodic table. Intriguingly, despite LLaMA-3's superior performance in comparison to LLaMA-2, we observe that LLaMat-2 demonstrates unexpectedly enhanced domain-specific performance across diverse materials science tasks, including structured information extraction from text and tables, more particularly in crystal structure generation, a potential adaptation rigidity in overtrained LLMs. Altogether, the present work demonstrates the effectiveness of domain adaptation towards developing practically deployable LLM copilots for materials research. Beyond materials science, our findings reveal important considerations for domain adaptation of LLMs, such as model selection, training methodology, and domain-specific performance, which may influence the development of specialized scientific AI systems.

We present MatSci-NLP, a natural language benchmark for evaluating the performance of natural language processing (NLP) models on materials science text. We construct the benchmark from publicly available materials science text data to encompass seven different NLP tasks, including conventional NLP tasks like named entity recognition and relation classification, as well as NLP tasks specific to materials science, such as synthesis action retrieval which relates to creating synthesis procedures for materials. We study various BERT-based models pretrained on different scientific text corpora on MatSci-NLP to understand the impact of pretraining strategies on understanding materials science text. Given the scarcity of high-quality annotated data in the materials science domain, we perform our fine-tuning experiments with limited training data to encourage the generalize across MatSci-NLP tasks. Our experiments in this low-resource training setting show that language models pretrained on scientific text outperform BERT trained on general text. MatBERT, a model pretrained specifically on materials science journals, generally performs best for most tasks. Moreover, we propose a unified text-to-schema for multitask learning on \benchmark and compare its performance with traditional fine-tuning methods. In our analysis of different training methods, we find that our proposed text-to-schema methods inspired by question-answering consistently outperform single and multitask NLP fine-tuning methods. The code and datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-ACL23.

In this paper, we present a novel approach to knowledge extraction and retrieval using Natural Language Processing (NLP) techniques for material science. Our goal is to automatically mine structured knowledge from millions of research articles in the field of polycrystalline materials and make it easily accessible to the broader community. The proposed method leverages NLP techniques such as entity recognition and document classification to extract relevant information and build an extensive knowledge base, from a collection of 9.5 Million publications. The resulting knowledge base is integrated into a search engine, which enables users to search for information about specific materials, properties, and experiments with greater precision than traditional search engines like Google. We hope our results can enable material scientists quickly locate desired experimental procedures, compare their differences, and even inspire them to design new experiments. Our website will be available at Github https://github.com/Xianjun-Yang/PcMSP.git soon.

The ever-increasing number of materials science articles makes it hard to infer chemistry-structure-property relations from published literature. We used natural language processing (NLP) methods to automatically extract material property data from the abstracts of polymer literature. As a component of our pipeline, we trained MaterialsBERT, a language model, using 2.4 million materials science abstracts, which outperforms other baseline models in three out of five named entity recognition datasets when used as the encoder for text. Using this pipeline, we obtained ~300,000 material property records from ~130,000 abstracts in 60 hours. The extracted data was analyzed for a diverse range of applications such as fuel cells, supercapacitors, and polymer solar cells to recover non-trivial insights. The data extracted through our pipeline is made available through a web platform at https://polymerscholar.org which can be used to locate material property data recorded in abstracts conveniently. This work demonstrates the feasibility of an automatic pipeline that starts from published literature and ends with a complete set of extracted material property information.

Effectively representing materials as text has the potential to leverage the vast advancements of large language models (LLMs) for discovering new materials. While LLMs have shown remarkable success in various domains, their application to materials science remains underexplored. A fundamental challenge is the lack of understanding of how to best utilize text-based representations for materials modeling. This challenge is further compounded by the absence of a comprehensive benchmark to rigorously evaluate the capabilities and limitations of these text representations in capturing the complexity of material systems. To address this gap, we propose MatText, a suite of benchmarking tools and datasets designed to systematically evaluate the performance of language models in modeling materials. MatText encompasses nine distinct text-based representations for material systems, including several novel representations. Each representation incorporates unique inductive biases that capture relevant information and integrate prior physical knowledge about materials. Additionally, MatText provides essential tools for training and benchmarking the performance of language models in the context of materials science. These tools include standardized dataset splits for each representation, probes for evaluating sensitivity to geometric factors, and tools for seamlessly converting crystal structures into text. Using MatText, we conduct an extensive analysis of the capabilities of language models in modeling materials. Our findings reveal that current language models consistently struggle to capture the geometric information crucial for materials modeling across all representations. Instead, these models tend to leverage local information, which is emphasized in some of our novel representations. Our analysis underscores MatText's ability to reveal shortcomings of text-based methods for materials design.

This study is dedicated to assessing the capabilities of large language models (LLMs) such as GPT-3.5-Turbo, GPT-4, and GPT-4-Turbo in extracting structured information from scientific documents in materials science. To this end, we primarily focus on two critical tasks of information extraction: (i) a named entity recognition (NER) of studied materials and physical properties and (ii) a relation extraction (RE) between these entities. Due to the evident lack of datasets within Materials Informatics (MI), we evaluated using SuperMat, based on superconductor research, and MeasEval, a generic measurement evaluation corpus. The performance of LLMs in executing these tasks is benchmarked against traditional models based on the BERT architecture and rule-based approaches (baseline). We introduce a novel methodology for the comparative analysis of intricate material expressions, emphasising the standardisation of chemical formulas to tackle the complexities inherent in materials science information assessment. For NER, LLMs fail to outperform the baseline with zero-shot prompting and exhibit only limited improvement with few-shot prompting. However, a GPT-3.5-Turbo fine-tuned with the appropriate strategy for RE outperforms all models, including the baseline. Without any fine-tuning, GPT-4 and GPT-4-Turbo display remarkable reasoning and relationship extraction capabilities after being provided with merely a couple of examples, surpassing the baseline. Overall, the results suggest that although LLMs demonstrate relevant reasoning skills in connecting concepts, specialised models are currently a better choice for tasks requiring extracting complex domain-specific entities like materials. These insights provide initial guidance applicable to other materials science sub-domains in future work.

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials knowledge database, far exceeding the capabilities of individual researcher. Nonetheless, devising methods to harness the knowledge embedded within LLMs for the design and discovery of novel materials remains a formidable challenge. We introduce a general approach for addressing materials classification problems, which incorporates LLMs, prompt engineering, and deep learning. Utilizing a dataset of metallic glasses as a case study, our methodology achieved an improvement of up to 463% in prediction accuracy compared to conventional classification models. These findings underscore the potential of leveraging textual knowledge generated by LLMs for materials especially in the common situation where datasets are sparse, thereby promoting innovation in materials discovery and design.

Accurate and comprehensive material databases extracted from research papers are critical for materials science and engineering but require significant human effort to develop. In this paper we present a simple method of extracting materials data from full texts of research papers suitable for quickly developing modest-sized databases. The method requires minimal to no coding, prior knowledge about the extracted property, or model training, and provides high recall and almost perfect precision in the resultant database. The method is fully automated except for one human-assisted step, which typically requires just a few hours of human labor. The method builds on top of natural language processing and large general language models but can work with almost any such model. The language models GPT-3/3.5, bart and DeBERTaV3 are evaluated here for comparison. We provide a detailed detailed analysis of the methods performance in extracting bulk modulus data, obtaining up to 90% precision at 96% recall, depending on the amount of human effort involved. We then demonstrate the methods broader effectiveness by developing a database of critical cooling rates for metallic glasses.

While language models are increasingly utilized in materials science, typical models rely on frequency-centric tokenization methods originally developed for natural language processing. However, these methods frequently produce excessive fragmentation and semantic loss, failing to maintain the structural and semantic integrity of material concepts. To address this issue, we propose MATTER, a novel tokenization approach that integrates material knowledge into tokenization. Based on MatDetector trained on our materials knowledge base and a re-ranking method prioritizing material concepts in token merging, MATTER maintains the structural integrity of identified material concepts and prevents fragmentation during tokenization, ensuring their semantic meaning remains intact. The experimental results demonstrate that MATTER outperforms existing tokenization methods, achieving an average performance gain of 4% and 2% in the generation and classification tasks, respectively. These results underscore the importance of domain knowledge for tokenization strategies in scientific text processing. Our code is available at https://github.com/yerimoh/MATTER

The advent of artificial intelligence (AI) has enabled a comprehensive exploration of materials for various applications. However, AI models often prioritize frequently encountered materials in the scientific literature, limiting the selection of suitable candidates based on inherent physical and chemical properties. To address this imbalance, we have generated a dataset of 1,494,017 natural language-material paragraphs based on combined OQMD, Materials Project, JARVIS, COD and AFLOW2 databases, which are dominated by ab initio calculations and tend to be much more evenly distributed on the periodic table. The generated text narratives were then polled and scored by both human experts and ChatGPT-4, based on three rubrics: technical accuracy, language and structure, and relevance and depth of content, showing similar scores but with human-scored depth of content being the most lagging. The merger of multi-modality data sources and large language model (LLM) holds immense potential for AI frameworks to help the exploration and discovery of solid-state materials for specific applications.

Large language models (LLMs) are increasingly applied to materials science questions, including literature comprehension, property prediction, materials discovery and alloy design. At the same time, a wide range of physics-based computational approaches have been developed in which materials properties can be calculated. Here, we propose a benchmark application to evaluate the proficiency of LLMs to answer materials science questions through the generation and safe execution of codes based on such physics-based computational materials science packages. MatTools is built on two complementary components: a materials simulation tool question-answer (QA) benchmark and a real-world tool-usage benchmark. We designed an automated methodology to efficiently collect real-world materials science tool-use examples. The QA benchmark, derived from the pymatgen (Python Materials Genomics) codebase and documentation, comprises 69,225 QA pairs that assess the ability of an LLM to understand materials science tools. The real-world benchmark contains 49 tasks (138 subtasks) requiring the generation of functional Python code for materials property calculations. Our evaluation of diverse LLMs yields three key insights: (1)Generalists outshine specialists;(2)AI knows AI; and (3)Simpler is better. MatTools provides a standardized framework for assessing and improving LLM capabilities for materials science tool applications, facilitating the development of more effective AI systems for materials science and general scientific research.

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this process. We explore the potential of LLMs to generate viable hypotheses that, once validated, can expedite materials discovery. Collaborating with materials science experts, we curated a novel dataset from recent journal publications, featuring real-world goals, constraints, and methods for designing real-world applications. Using this dataset, we test LLM-based agents that generate hypotheses for achieving given goals under specific constraints. To assess the relevance and quality of these hypotheses, we propose a novel scalable evaluation metric that emulates the process a materials scientist would use to evaluate a hypothesis critically. Our curated dataset, proposed method, and evaluation framework aim to advance future research in accelerating materials discovery and design with LLMs.

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for arbitrary materials. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties, and that the model's behavior complements existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability. Here, we present an elegant way to make their reasoning transparent. Human-readable text-based descriptions automatically generated within a suite of open-source tools are proposed as materials representation. Transformer language models pretrained on 2 million peer-reviewed articles take as input well-known terms, e.g., chemical composition, crystal symmetry, and site geometry. Our approach outperforms crystal graph networks by classifying four out of five analyzed properties if one considers all available reference data. Moreover, fine-tuned text-based models show high accuracy in the ultra-small data limit. Explanations of their internal machinery are produced using local interpretability techniques and are faithful and consistent with domain expert rationales. This language-centric framework makes accurate property predictions accessible to people without artificial-intelligence expertise.

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

We propose an instruction-based process for trustworthy data curation in materials science (MatSci-Instruct), which we then apply to finetune a LLaMa-based language model targeted for materials science (HoneyBee). MatSci-Instruct helps alleviate the scarcity of relevant, high-quality materials science textual data available in the open literature, and HoneyBee is the first billion-parameter language model specialized to materials science. In MatSci-Instruct we improve the trustworthiness of generated data by prompting multiple commercially available large language models for generation with an Instructor module (e.g. Chat-GPT) and verification from an independent Verifier module (e.g. Claude). Using MatSci-Instruct, we construct a dataset of multiple tasks and measure the quality of our dataset along multiple dimensions, including accuracy against known facts, relevance to materials science, as well as completeness and reasonableness of the data. Moreover, we iteratively generate more targeted instructions and instruction-data in a finetuning-evaluation-feedback loop leading to progressively better performance for our finetuned HoneyBee models. Our evaluation on the MatSci-NLP benchmark shows HoneyBee's outperformance of existing language models on materials science tasks and iterative improvement in successive stages of instruction-data refinement. We study the quality of HoneyBee's language modeling through automatic evaluation and analyze case studies to further understand the model's capabilities and limitations. Our code and relevant datasets are publicly available at https://github.com/BangLab-UdeM-Mila/NLP4MatSci-HoneyBee.

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence approach to joint named entity recognition and relation extraction for complex hierarchical information in scientific text. The approach leverages a pre-trained large language model (LLM), GPT-3, that is fine-tuned on approximately 500 pairs of prompts (inputs) and completions (outputs). Information is extracted either from single sentences or across sentences in abstracts/passages, and the output can be returned as simple English sentences or a more structured format, such as a list of JSON objects. We demonstrate that LLMs trained in this way are capable of accurately extracting useful records of complex scientific knowledge for three representative tasks in materials chemistry: linking dopants with their host materials, cataloging metal-organic frameworks, and general chemistry/phase/morphology/application information extraction. This approach represents a simple, accessible, and highly-flexible route to obtaining large databases of structured knowledge extracted from unstructured text. An online demo is available at http://www.matscholar.com/info-extraction.

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support the materials science community by providing a practical, data-driven resource. We have curated a comprehensive dataset of 17K expert-verified synthesis recipes from open-access literature, which forms the basis of our newly developed benchmark, AlchemyBench. AlchemyBench offers an end-to-end framework that supports research in large language models applied to synthesis prediction. It encompasses key tasks, including raw materials and equipment prediction, synthesis procedure generation, and characterization outcome forecasting. We propose an LLM-as-a-Judge framework that leverages large language models for automated evaluation, demonstrating strong statistical agreement with expert assessments. Overall, our contributions offer a supportive foundation for exploring the capabilities of LLMs in predicting and guiding materials synthesis, ultimately paving the way for more efficient experimental design and accelerated innovation in materials science.

The specialized language and complex concepts in physics pose significant challenges for information extraction through Natural Language Processing (NLP). Central to effective NLP applications is the text embedding model, which converts text into dense vector representations for efficient information retrieval and semantic analysis. In this work, we introduce PhysBERT, the first physics-specific text embedding model. Pre-trained on a curated corpus of 1.2 million arXiv physics papers and fine-tuned with supervised data, PhysBERT outperforms leading general-purpose models on physics-specific tasks including the effectiveness in fine-tuning for specific physics subdomains.

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

In this work, we present the ChemNLP library that can be used for 1) curating open access datasets for materials and chemistry literature, developing and comparing traditional machine learning, transformers and graph neural network models for 2) classifying and clustering texts, 3) named entity recognition for large-scale text-mining, 4) abstractive summarization for generating titles of articles from abstracts, 5) text generation for suggesting abstracts from titles, 6) integration with density functional theory dataset for identifying potential candidate materials such as superconductors, and 7) web-interface development for text and reference query. We primarily use the publicly available arXiv and Pubchem datasets but the tools can be used for other datasets as well. Moreover, as new models are developed, they can be easily integrated in the library. ChemNLP is available at the websites: https://github.com/usnistgov/chemnlp and https://jarvis.nist.gov/jarvischemnlp.

Task semantics can be expressed by a set of input-to-output examples or a piece of textual instruction. Conventional machine learning approaches for natural language processing (NLP) mainly rely on the availability of large-scale sets of task-specific examples. Two issues arise: first, collecting task-specific labeled examples does not apply to scenarios where tasks may be too complicated or costly to annotate, or the system is required to handle a new task immediately; second, this is not user-friendly since end-users are probably more willing to provide task description rather than a set of examples before using the system. Therefore, the community is paying increasing interest in a new supervision-seeking paradigm for NLP: learning from task instructions. Despite its impressive progress, there are some common issues that the community struggles with. This survey paper tries to summarize and provide insights into the current research on instruction learning, particularly by answering the following questions: (i) What is task instruction, and what instruction types exist? (ii) How to model instructions? (iii) What factors influence and explain the instructions' performance? (iv) What challenges remain in instruction learning? To our knowledge, this is the first comprehensive survey about textual instructions.

This paper presents the development of a specialized chatbot for materials science, leveraging the Llama-2 language model, and continuing pre-training on the expansive research articles in the materials science domain from the S2ORC dataset. The methodology involves an initial pretraining phase on over one million domain-specific papers, followed by an instruction-tuning process to refine the chatbot's capabilities. The chatbot is designed to assist researchers, educators, and students by providing instant, context-aware responses to queries in the field of materials science. We make the four trained checkpoints (7B, 13B, with or without chat ability) freely available to the research community at https://github.com/Xianjun-Yang/Quokka.

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.

Obtaining text datasets with semantic annotations is an effortful process, yet crucial for supervised training in natural language processsing (NLP). In general, developing and applying new NLP pipelines in domain-specific contexts for tasks often requires custom designed datasets to address NLP tasks in supervised machine learning fashion. When operating in non-English languages for medical data processing, this exposes several minor and major, interconnected problems such as lack of task-matching datasets as well as task-specific pre-trained models. In our work we suggest to leverage pretrained language models for training data acquisition in order to retrieve sufficiently large datasets for training smaller and more efficient models for use-case specific tasks. To demonstrate the effectiveness of your approach, we create a custom dataset which we use to train a medical NER model for German texts, GPTNERMED, yet our method remains language-independent in principle. Our obtained dataset as well as our pre-trained models are publicly available at: https://github.com/frankkramer-lab/GPTNERMED

This paper presents a new challenging information extraction task in the domain of materials science. We develop an annotation scheme for marking information on experiments related to solid oxide fuel cells in scientific publications, such as involved materials and measurement conditions. With this paper, we publish our annotation guidelines, as well as our SOFC-Exp corpus consisting of 45 open-access scholarly articles annotated by domain experts. A corpus and an inter-annotator agreement study demonstrate the complexity of the suggested named entity recognition and slot filling tasks as well as high annotation quality. We also present strong neural-network based models for a variety of tasks that can be addressed on the basis of our new data set. On all tasks, using BERT embeddings leads to large performance gains, but with increasing task complexity, adding a recurrent neural network on top seems beneficial. Our models will serve as competitive baselines in future work, and analysis of their performance highlights difficult cases when modeling the data and suggests promising research directions.

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to explore all possible materials experimentally. In this paper, we introduce FlowLLM, a novel generative model that combines large language models (LLMs) and Riemannian flow matching (RFM) to design novel crystalline materials. FlowLLM first fine-tunes an LLM to learn an effective base distribution of meta-stable crystals in a text representation. After converting to a graph representation, the RFM model takes samples from the LLM and iteratively refines the coordinates and lattice parameters. Our approach significantly outperforms state-of-the-art methods, increasing the generation rate of stable materials by over three times and increasing the rate for stable, unique, and novel crystals by sim50% - a huge improvement on a difficult problem. Additionally, the crystals generated by FlowLLM are much closer to their relaxed state when compared with another leading model, significantly reducing post-hoc computational cost.

Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a new opportunity for material property predictions, complementing experimental measurements and multi-scale computational methods. We focus on predicting the elastic constant tensor, as a case study, and develop domain-specific LLMs for predicting elastic constants and for materials discovery. The proposed ElaTBot LLM enables simultaneous prediction of elastic constant tensors, bulk modulus at finite temperatures, and the generation of new materials with targeted properties. Moreover, the capabilities of ElaTBot are further enhanced by integrating with general LLMs (GPT-4o) and Retrieval-Augmented Generation (RAG) for prediction. A specialized variant, ElaTBot-DFT, designed for 0 K elastic constant tensor prediction, reduces the prediction errors by 33.1% compared with domain-specific, material science LLMs (Darwin) trained on the same dataset. This natural language-based approach lowers the barriers to computational materials science and highlights the broader potential of LLMs for material property predictions and inverse design.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that integrates heterogeneous knowledge sources. Here, we propose a framework that systematically combines knowledge extracted from computational material datasets with domain knowledge distilled from scientific literature using large language models (LLMs). A central feature of this approach is the explicit consideration of element substitutability, identifying chemically similar elements that can be interchanged to potentially stabilize desired HEAs. Dempster-Shafer theory, a mathematical framework for reasoning under uncertainty, is employed to model and combine substitutabilities based on aggregated evidence from multiple sources. The framework predicts the phase stability of candidate HEA compositions and is systematically evaluated on both quaternary alloy systems, demonstrating superior performance compared to baseline machine learning models and methods reliant on single-source evidence in cross-validation experiments. By leveraging multi-source knowledge, the framework retains robust predictive power even when key elements are absent from the training data, underscoring its potential for knowledge transfer and extrapolation. Furthermore, the enhanced interpretability of the methodology offers insights into the fundamental factors governing HEA formation. Overall, this work provides a promising strategy for accelerating HEA discovery by integrating computational and textual knowledge sources, enabling efficient exploration of vast compositional spaces with improved generalization and interpretability.

The rapid advancement of Large Language Models (LLMs) and Large Multimodal Models (LMMs) has heightened the demand for AI-based scientific assistants capable of understanding scientific articles and figures. Despite progress, there remains a significant gap in evaluating models' comprehension of professional, graduate-level, and even PhD-level scientific content. Current datasets and benchmarks primarily focus on relatively simple scientific tasks and figures, lacking comprehensive assessments across diverse advanced scientific disciplines. To bridge this gap, we collected a multimodal, multidisciplinary dataset from open-access scientific articles published in Nature Communications journals. This dataset spans 72 scientific disciplines, ensuring both diversity and quality. We created benchmarks with various tasks and settings to comprehensively evaluate LMMs' capabilities in understanding scientific figures and content. Our evaluation revealed that these tasks are highly challenging: many open-source models struggled significantly, and even GPT-4V and GPT-4o faced difficulties. We also explored using our dataset as training resources by constructing visual instruction-following data, enabling the 7B LLaVA model to achieve performance comparable to GPT-4V/o on our benchmark. Additionally, we investigated the use of our interleaved article texts and figure images for pre-training LMMs, resulting in improvements on the material generation task. The source dataset, including articles, figures, constructed benchmarks, and visual instruction-following data, is open-sourced.

Large Language Models (LLMs) have demonstrated remarkable success as general-purpose task solvers across various fields, including NLP, healthcare, finance, and law. However, their capabilities remain limited when addressing domain-specific problems, particularly in downstream NLP tasks. Research has shown that models fine-tuned on instruction-based downstream NLP datasets outperform those that are not fine-tuned. While most efforts in this area have primarily focused on resource-rich languages like English and broad domains, little attention has been given to multilingual settings and specific domains. To address this gap, this study focuses on developing a specialized LLM, LlamaLens, for analyzing news and social media content in a multilingual context. To the best of our knowledge, this is the first attempt to tackle both domain specificity and multilinguality, with a particular focus on news and social media. Our experimental setup includes 19 tasks, represented by 52 datasets covering Arabic, English, and Hindi. We demonstrate that LlamaLens outperforms the current state-of-the-art (SOTA) on 16 testing sets, and achieves comparable performance on 10 sets. We make the models and resources publicly available for the research community.(https://huggingface.co/QCRI)

It is desirable to coarsely classify short scientific texts, such as grant or publication abstracts, for strategic insight or research portfolio management. These texts efficiently transmit dense information to experts possessing a rich body of knowledge to aid interpretation. Yet this task is remarkably difficult to automate because of brevity and the absence of context. To address this gap, we have developed a novel approach to generate and appropriately assign coarse domain-specific labels. We show that a Large Language Model (LLM) can provide metadata essential to the task, in a process akin to the augmentation of supplemental knowledge representing human intuition, and propose a workflow. As a pilot study, we use a corpus of award abstracts from the National Aeronautics and Space Administration (NASA). We develop new assessment tools in concert with established performance metrics.

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce AtomGPT, a model specifically developed for materials design based on transformer architectures, to demonstrate the capability for both atomistic property prediction and structure generation. We show that a combination of chemical and structural text descriptions can efficiently predict material properties with accuracy comparable to graph neural network models, including formation energies, electronic bandgaps from two different methods and superconducting transition temperatures. Furthermore, we demonstrate that AtomGPT can generate atomic structures for tasks such as designing new superconductors, with the predictions validated through density functional theory calculations. This work paves the way for leveraging LLMs in forward and inverse materials design, offering an efficient approach to the discovery and optimization of materials.

Large language models (LLMs) have achieved huge success for their general knowledge and ability to solve a wide spectrum of tasks in natural language processing (NLP). Due to their impressive abilities, LLMs have shed light on potential inter-discipline applications to foster scientific discoveries of a specific domain by using artificial intelligence (AI for science, AI4S). In the meantime, utilizing NLP techniques in geoscience research and practice is wide and convoluted, contributing from knowledge extraction and document classification to question answering and knowledge discovery. In this work, we take the initial step to leverage LLM for science, through a rather straightforward approach. We try to specialize an LLM into geoscience, by further pre-training the model with a vast amount of texts in geoscience, as well as supervised fine-tuning (SFT) the resulting model with our custom collected instruction tuning dataset. These efforts result in a model GeoGalactica consisting of 30 billion parameters. To our best knowledge, it is the largest language model for the geoscience domain. More specifically, GeoGalactica is from further pre-training of Galactica. We train GeoGalactica over a geoscience-related text corpus containing 65 billion tokens curated from extensive data sources in the big science project Deep-time Digital Earth (DDE), preserving as the largest geoscience-specific text corpus. Then we fine-tune the model with 1 million pairs of instruction-tuning data consisting of questions that demand professional geoscience knowledge to answer. In this technical report, we will illustrate in detail all aspects of GeoGalactica, including data collection, data cleaning, base model selection, pre-training, SFT, and evaluation. We open-source our data curation tools and the checkpoints of GeoGalactica during the first 3/4 of pre-training.

How well can NLP models generalize to a variety of unseen tasks when provided with task instructions? To address this question, we first introduce Super-NaturalInstructions, a benchmark of 1,616 diverse NLP tasks and their expert-written instructions. Our collection covers 76 distinct task types, including but not limited to classification, extraction, infilling, sequence tagging, text rewriting, and text composition. This large and diverse collection of tasks enables rigorous benchmarking of cross-task generalization under instructions -- training models to follow instructions on a subset of tasks and evaluating them on the remaining unseen ones. Furthermore, we build Tk-Instruct, a transformer model trained to follow a variety of in-context instructions (plain language task definitions or k-shot examples). Our experiments show that Tk-Instruct outperforms existing instruction-following models such as InstructGPT by over 9% on our benchmark despite being an order of magnitude smaller. We further analyze generalization as a function of various scaling parameters, such as the number of observed tasks, the number of instances per task, and model sizes. We hope our dataset and model facilitate future progress towards more general-purpose NLP models.

Word embeddings are an essential instrument in many NLP tasks. Most available resources are trained on general language from Web corpora or Wikipedia dumps. However, word embeddings for domain-specific language are rare, in particular for the social science domain. Therefore, in this work, we describe the creation and evaluation of word embedding models based on 37,604 open-access social science research papers. In the evaluation, we compare domain-specific and general language models for (i) language coverage, (ii) diversity, and (iii) semantic relationships. We found that the created domain-specific model, even with a relatively small vocabulary size, covers a large part of social science concepts, their neighborhoods are diverse in comparison to more general models. Across all relation types, we found a more extensive coverage of semantic relationships.

This open access book provides a comprehensive overview of the state of the art in research and applications of Foundation Models and is intended for readers familiar with basic Natural Language Processing (NLP) concepts. Over the recent years, a revolutionary new paradigm has been developed for training models for NLP. These models are first pre-trained on large collections of text documents to acquire general syntactic knowledge and semantic information. Then, they are fine-tuned for specific tasks, which they can often solve with superhuman accuracy. When the models are large enough, they can be instructed by prompts to solve new tasks without any fine-tuning. Moreover, they can be applied to a wide range of different media and problem domains, ranging from image and video processing to robot control learning. Because they provide a blueprint for solving many tasks in artificial intelligence, they have been called Foundation Models. After a brief introduction to basic NLP models the main pre-trained language models BERT, GPT and sequence-to-sequence transformer are described, as well as the concepts of self-attention and context-sensitive embedding. Then, different approaches to improving these models are discussed, such as expanding the pre-training criteria, increasing the length of input texts, or including extra knowledge. An overview of the best-performing models for about twenty application areas is then presented, e.g., question answering, translation, story generation, dialog systems, generating images from text, etc. For each application area, the strengths and weaknesses of current models are discussed, and an outlook on further developments is given. In addition, links are provided to freely available program code. A concluding chapter summarizes the economic opportunities, mitigation of risks, and potential developments of AI.

Recent advancements in Generative Language Models (GLMs) have transformed Natural Language Processing (NLP) by showcasing the effectiveness of the "pre-train, prompt, and predict" paradigm in utilizing pre-trained GLM knowledge for diverse applications. Despite their potential, these capabilities lack adequate quantitative characterization due to the absence of comprehensive benchmarks, particularly for low-resource languages. Existing low-resource benchmarks focus on discriminative language models like BERT, neglecting the evaluation of generative language models. Moreover, current benchmarks often overlook measuring generalization performance across multiple tasks, a crucial metric for GLMs. To bridge these gaps, we introduce NLEBench, a comprehensive benchmark tailored for evaluating natural language generation capabilities in Norwegian, a low-resource language. We use Norwegian as a case study to explore whether current GLMs and benchmarks in mainstream languages like English can reveal the unique characteristics of underrepresented languages. NLEBench encompasses a suite of real-world NLP tasks ranging from news storytelling, summarization, open-domain conversation, natural language understanding, instruction fine-tuning, toxicity and bias evaluation, to self-curated Chain-of-Thought investigation. It features two high-quality, human-annotated datasets: an instruction dataset covering traditional Norwegian cultures, idioms, slang, and special expressions, and a document-grounded multi-label dataset for topic classification, question answering, and summarization. This paper also introduces foundational Norwegian Generative Language Models (NorGLMs) developed with diverse parameter scales and Transformer-based architectures. Systematic evaluations on the proposed benchmark suite provide insights into the capabilities and scalability of NorGLMs across various downstream tasks.

The Natural Semantic Metalanguage (NSM) is a linguistic theory based on a universal set of semantic primes: simple, primitive word-meanings that have been shown to exist in most, if not all, languages of the world. According to this framework, any word, regardless of complexity, can be paraphrased using these primes, revealing a clear and universally translatable meaning. These paraphrases, known as explications, can offer valuable applications for many natural language processing (NLP) tasks, but producing them has traditionally been a slow, manual process. In this work, we present the first study of using large language models (LLMs) to generate NSM explications. We introduce automatic evaluation methods, a tailored dataset for training and evaluation, and fine-tuned models for this task. Our 1B and 8B models outperform GPT-4o in producing accurate, cross-translatable explications, marking a significant step toward universal semantic representation with LLMs and opening up new possibilities for applications in semantic analysis, translation, and beyond.

High-quality, large-scale instructions are crucial for aligning large language models (LLMs), however, there is a severe shortage of instruction in the field of natural language understanding (NLU). Previous works on constructing NLU instructions mainly focus on information extraction (IE), neglecting tasks such as machine reading comprehension, question answering, and text classification. Furthermore, the lack of diversity in the data has led to a decreased generalization ability of trained LLMs in other NLU tasks and a noticeable decline in the fundamental model's general capabilities. To address this issue, we propose Hum, a large-scale, high-quality synthetic instruction corpus for NLU tasks, designed to enhance the NLU capabilities of LLMs. Specifically, Hum includes IE (either close IE or open IE), machine reading comprehension, text classification, and instruction generalist tasks, thereby enriching task diversity. Additionally, we introduce a human-LLMs collaborative mechanism to synthesize instructions, which enriches instruction diversity by incorporating guidelines, preference rules, and format variants. We conduct extensive experiments on 5 NLU tasks and 28 general capability evaluation datasets for LLMs. Experimental results show that Hum enhances the NLU capabilities of six LLMs by an average of 3.1\%, with no significant decline observed in other general capabilities.

Recent progress in Large Language Models (LLMs) has produced models that exhibit remarkable performance across a variety of NLP tasks. However, it remains unclear whether the existing focus of NLP research accurately captures the genuine requirements of human users. This paper provides a comprehensive analysis of the divergence between current NLP research and the needs of real-world NLP applications via a large-scale collection of user-GPT conversations. We analyze a large-scale collection of real user queries to GPT. We compare these queries against existing NLP benchmark tasks and identify a significant gap between the tasks that users frequently request from LLMs and the tasks that are commonly studied in academic research. For example, we find that tasks such as ``design'' and ``planning'' are prevalent in user interactions but are largely neglected or different from traditional NLP benchmarks. We investigate these overlooked tasks, dissect the practical challenges they pose, and provide insights toward a roadmap to make LLMs better aligned with user needs.

This paper explores the problems of Question Answering (QA) and Named Entity Recognition (NER) in five diverse languages. We tested five Large Language Models with various prompting methods, including zero-shot, chain-of-thought reasoning, and translation techniques. Our results show that while some models consistently outperform others, their effectiveness varies significantly across tasks and languages. We saw that advanced prompting techniques generally improved QA performance but had mixed results for NER; and we observed that language difficulty patterns differed between tasks. Our findings highlight the need for task-specific approaches in multilingual NLP and suggest that current models may develop different linguistic competencies for different tasks.

Scientific information extraction (SciIE), which aims to automatically extract information from scientific literature, is becoming more important than ever. However, there are no existing SciIE datasets for polymer materials, which is an important class of materials used ubiquitously in our daily lives. To bridge this gap, we introduce POLYIE, a new SciIE dataset for polymer materials. POLYIE is curated from 146 full-length polymer scholarly articles, which are annotated with different named entities (i.e., materials, properties, values, conditions) as well as their N-ary relations by domain experts. POLYIE presents several unique challenges due to diverse lexical formats of entities, ambiguity between entities, and variable-length relations. We evaluate state-of-the-art named entity extraction and relation extraction models on POLYIE, analyze their strengths and weaknesses, and highlight some difficult cases for these models. To the best of our knowledge, POLYIE is the first SciIE benchmark for polymer materials, and we hope it will lead to more research efforts from the community on this challenging task. Our code and data are available on: https://github.com/jerry3027/PolyIE.

The rapid advancement of perovskite solar cells (PSCs) has led to an exponential growth in research publications, creating an urgent need for efficient knowledge management and reasoning systems in this domain. We present a comprehensive knowledge-enhanced system for PSCs that integrates three key components. First, we develop Perovskite-KG, a domain-specific knowledge graph constructed from 1,517 research papers, containing 23,789 entities and 22,272 relationships. Second, we create two complementary datasets: Perovskite-Chat, comprising 55,101 high-quality question-answer pairs generated through a novel multi-agent framework, and Perovskite-Reasoning, containing 2,217 carefully curated materials science problems. Third, we introduce two specialized large language models: Perovskite-Chat-LLM for domain-specific knowledge assistance and Perovskite-Reasoning-LLM for scientific reasoning tasks. Experimental results demonstrate that our system significantly outperforms existing models in both domain-specific knowledge retrieval and scientific reasoning tasks, providing researchers with effective tools for literature review, experimental design, and complex problem-solving in PSC research.

Generative models trained at scale can now produce text, video, and more recently, scientific data such as crystal structures. In applications of generative approaches to materials science, and in particular to crystal structures, the guidance from the domain expert in the form of high-level instructions can be essential for an automated system to output candidate crystals that are viable for downstream research. In this work, we formulate end-to-end language-to-structure generation as a multi-objective optimization problem, and propose Generative Hierarchical Materials Search (GenMS) for controllable generation of crystal structures. GenMS consists of (1) a language model that takes high-level natural language as input and generates intermediate textual information about a crystal (e.g., chemical formulae), and (2) a diffusion model that takes intermediate information as input and generates low-level continuous value crystal structures. GenMS additionally uses a graph neural network to predict properties (e.g., formation energy) from the generated crystal structures. During inference, GenMS leverages all three components to conduct a forward tree search over the space of possible structures. Experiments show that GenMS outperforms other alternatives of directly using language models to generate structures both in satisfying user request and in generating low-energy structures. We confirm that GenMS is able to generate common crystal structures such as double perovskites, or spinels, solely from natural language input, and hence can form the foundation for more complex structure generation in near future.

The exponential growth of online textual content across diverse domains has necessitated advanced methods for automated text classification. Large Language Models (LLMs) based on transformer architectures have shown significant success in this area, particularly in natural language processing (NLP) tasks. However, general-purpose LLMs often struggle with domain-specific content, such as scientific texts, due to unique challenges like specialized vocabulary and imbalanced data. In this study, we fine-tune four state-of-the-art LLMs BERT, SciBERT, BioBERT, and BlueBERT on three datasets derived from the WoS-46985 dataset to evaluate their performance in scientific text classification. Our experiments reveal that domain-specific models, particularly SciBERT, consistently outperform general-purpose models in both abstract-based and keyword-based classification tasks. Additionally, we compare our achieved results with those reported in the literature for deep learning models, further highlighting the advantages of LLMs, especially when utilized in specific domains. The findings emphasize the importance of domain-specific adaptations for LLMs to enhance their effectiveness in specialized text classification tasks.

Typically, machine learning systems solve new tasks by training on thousands of examples. In contrast, humans can solve new tasks by reading some instructions, with perhaps an example or two. To take a step toward closing this gap, we introduce a framework for developing NLP systems that solve new tasks after reading their descriptions, synthesizing prior work in this area. We instantiate this framework with a new English language dataset, ZEST, structured for task-oriented evaluation on unseen tasks. Formulating task descriptions as questions, we ensure each is general enough to apply to many possible inputs, thus comprehensively evaluating a model's ability to solve each task. Moreover, the dataset's structure tests specific types of systematic generalization. We find that the state-of-the-art T5 model achieves a score of 12% on ZEST, leaving a significant challenge for NLP researchers.

This paper presents a comprehensive and practical guide for practitioners and end-users working with Large Language Models (LLMs) in their downstream natural language processing (NLP) tasks. We provide discussions and insights into the usage of LLMs from the perspectives of models, data, and downstream tasks. Firstly, we offer an introduction and brief summary of current GPT- and BERT-style LLMs. Then, we discuss the influence of pre-training data, training data, and test data. Most importantly, we provide a detailed discussion about the use and non-use cases of large language models for various natural language processing tasks, such as knowledge-intensive tasks, traditional natural language understanding tasks, natural language generation tasks, emergent abilities, and considerations for specific tasks.We present various use cases and non-use cases to illustrate the practical applications and limitations of LLMs in real-world scenarios. We also try to understand the importance of data and the specific challenges associated with each NLP task. Furthermore, we explore the impact of spurious biases on LLMs and delve into other essential considerations, such as efficiency, cost, and latency, to ensure a comprehensive understanding of deploying LLMs in practice. This comprehensive guide aims to provide researchers and practitioners with valuable insights and best practices for working with LLMs, thereby enabling the successful implementation of these models in a wide range of NLP tasks. A curated list of practical guide resources of LLMs, regularly updated, can be found at https://github.com/Mooler0410/LLMsPracticalGuide.

Neural language models encode rich knowledge about entities and their relationships which can be extracted from their representations using probing. Common properties of nouns (e.g., red strawberries, small ant) are, however, more challenging to extract compared to other types of knowledge because they are rarely explicitly stated in texts. We hypothesize this to mainly be the case for perceptual properties which are obvious to the participants in the communication. We propose to extract these properties from images and use them in an ensemble model, in order to complement the information that is extracted from language models. We consider perceptual properties to be more concrete than abstract properties (e.g., interesting, flawless). We propose to use the adjectives' concreteness score as a lever to calibrate the contribution of each source (text vs. images). We evaluate our ensemble model in a ranking task where the actual properties of a noun need to be ranked higher than other non-relevant properties. Our results show that the proposed combination of text and images greatly improves noun property prediction compared to powerful text-based language models.

Most NLP tasks are modeled as supervised learning and thus require labeled training data to train effective models. However, manually producing such data at sufficient quality and quantity is known to be costly and time-intensive. Current research addresses this bottleneck by exploring a novel paradigm called zero-shot learning via dataset generation. Here, a powerful LLM is prompted with a task description to generate labeled data that can be used to train a downstream NLP model. For instance, an LLM might be prompted to "generate 500 movie reviews with positive overall sentiment, and another 500 with negative sentiment." The generated data could then be used to train a binary sentiment classifier, effectively leveraging an LLM as a teacher to a smaller student model. With this demo, we introduce Fabricator, an open-source Python toolkit for dataset generation. Fabricator implements common dataset generation workflows, supports a wide range of downstream NLP tasks (such as text classification, question answering, and entity recognition), and is integrated with well-known libraries to facilitate quick experimentation. With Fabricator, we aim to support researchers in conducting reproducible dataset generation experiments using LLMs and help practitioners apply this approach to train models for downstream tasks.

There has been a growing effort to replace hand extraction of data from research papers with automated data extraction based on natural language processing, language models, and recently, large language models (LLMs). Although these methods enable efficient extraction of data from large sets of research papers, they require a significant amount of up-front effort, expertise, and coding. In this work we propose the ChatExtract method that can fully automate very accurate data extraction with minimal initial effort and background, using an advanced conversational LLM. ChatExtract consists of a set of engineered prompts applied to a conversational LLM that both identify sentences with data, extract that data, and assure the data's correctness through a series of follow-up questions. These follow-up questions largely overcome known issues with LLMs providing factually inaccurate responses. ChatExtract can be applied with any conversational LLMs and yields very high quality data extraction. In tests on materials data we find precision and recall both close to 90% from the best conversational LLMs, like ChatGPT-4. We demonstrate that the exceptional performance is enabled by the information retention in a conversational model combined with purposeful redundancy and introducing uncertainty through follow-up prompts. These results suggest that approaches similar to ChatExtract, due to their simplicity, transferability, and accuracy are likely to become powerful tools for data extraction in the near future. Finally, databases for critical cooling rates of metallic glasses and yield strengths of high entropy alloys are developed using ChatExtract.

Natural Language Processing (NLP) research has traditionally been predominantly focused on English, driven by the availability of resources, the size of the research community, and market demands. Recently, there has been a noticeable shift towards multilingualism in NLP, recognizing the need for inclusivity and effectiveness across diverse languages and cultures. Monolingual surveys have the potential to complement the broader trend towards multilingualism in NLP by providing foundational insights and resources, necessary for effectively addressing the linguistic diversity of global communication. However, monolingual NLP surveys are extremely rare in the literature. This study introduces a generalizable methodology for creating systematic and comprehensive monolingual NLP surveys, aimed at optimizing the process of constructing such surveys and thoroughly addressing a language's NLP support. Our approach integrates a structured search protocol to avoid selection bias and ensure reproducibility, an NLP task taxonomy to organize the surveyed material coherently, and language resources (LRs) taxonomies to identify potential benchmarks and highlight opportunities for improving resource availability (e.g., through better maintenance or licensing). We apply this methodology to Greek NLP (2012-2023), providing a comprehensive overview of its current state and challenges. We discuss the progress of Greek NLP and outline the Greek LRs found, classified by availability and usability, assessing language support per NLP task. The presented systematic literature review of Greek NLP serves as an application of our method that showcases the benefits of monolingual NLP surveys more broadly. Similar applications could be considered for the myriads of languages whose progress in NLP lags behind that of well-supported languages.

In this paper, we summarize the current state of the field of NLP & Law with a specific focus on recent technical and substantive developments. To support our analysis, we construct and analyze a nearly complete corpus of more than six hundred NLP & Law related papers published over the past decade. Our analysis highlights several major trends. Namely, we document an increasing number of papers written, tasks undertaken, and languages covered over the course of the past decade. We observe an increase in the sophistication of the methods which researchers deployed in this applied context. Slowly but surely, Legal NLP is beginning to match not only the methodological sophistication of general NLP but also the professional standards of data availability and code reproducibility observed within the broader scientific community. We believe all of these trends bode well for the future of the field, but many questions in both the academic and commercial sphere still remain open.

A growing number of papers are published in the area of superconducting materials science. However, novel text and data mining (TDM) processes are still needed to efficiently access and exploit this accumulated knowledge, paving the way towards data-driven materials design. Herein, we present SuperMat (Superconductor Materials), an annotated corpus of linked data derived from scientific publications on superconductors, which comprises 142 articles, 16052 entities, and 1398 links that are characterised into six categories: the names, classes, and properties of materials; links to their respective superconducting critical temperature (Tc); and parametric conditions such as applied pressure or measurement methods. The construction of SuperMat resulted from a fruitful collaboration between computer scientists and material scientists, and its high quality is ensured through validation by domain experts. The quality of the annotation guidelines was ensured by satisfactory Inter Annotator Agreement (IAA) between the annotators and the domain experts. SuperMat includes the dataset, annotation guidelines, and annotation support tools that use automatic suggestions to help minimise human errors.

Natural language processing (NLP) is an area of artificial intelligence that applies information technologies to process the human language, understand it to a certain degree, and use it in various applications. This area has rapidly developed in the last few years and now employs modern variants of deep neural networks to extract relevant patterns from large text corpora. The main objective of this work is to survey the recent use of NLP in the field of pharmacology. As our work shows, NLP is a highly relevant information extraction and processing approach for pharmacology. It has been used extensively, from intelligent searches through thousands of medical documents to finding traces of adversarial drug interactions in social media. We split our coverage into five categories to survey modern NLP methodology, commonly addressed tasks, relevant textual data, knowledge bases, and useful programming libraries. We split each of the five categories into appropriate subcategories, describe their main properties and ideas, and summarize them in a tabular form. The resulting survey presents a comprehensive overview of the area, useful to practitioners and interested observers.

A growing body of research has demonstrated the inability of NLP models to generalize compositionally and has tried to alleviate it through specialized architectures, training schemes, and data augmentation, among other approaches. In this work, we study a different approach: training on instances with diverse structures. We propose a model-agnostic algorithm for subsampling such sets of instances from a labeled instance pool with structured outputs. Evaluating on both compositional template splits and traditional IID splits of 5 semantic parsing datasets of varying complexity, we show that structurally diverse training using our algorithm leads to comparable or better generalization than prior algorithms in 9 out of 10 dataset-split type pairs. In general, we find structural diversity to consistently improve sample efficiency compared to random train sets. Moreover, we show that structurally diverse sampling yields comprehensive test sets that are a lot more challenging than IID test sets. Finally, we provide two explanations for improved generalization from diverse train sets: 1) improved coverage of output substructures, and 2) a reduction in spurious correlations between these substructures.

Many natural language processing (NLP) tasks in English or general domains are widely available and are often used to evaluate pre-trained language models. In contrast, there are fewer tasks available for languages other than English and for the financial domain. In particular, tasks in Japanese and the financial domain are limited. We construct two large datasets using materials published by a Japanese central government agency. The datasets provide three Japanese financial NLP tasks, which include a 3-class and 12-class classification for categorizing sentences, as well as a 5-class classification task for sentiment analysis. Our datasets are designed to be comprehensive and up-to-date, leveraging an automatic update framework that ensures the latest task datasets are publicly available anytime.

While pretrained language models (PLMs) primarily serve as general-purpose text encoders that can be fine-tuned for a wide variety of downstream tasks, recent work has shown that they can also be rewired to produce high-quality word representations (i.e., static word embeddings) and yield good performance in type-level lexical tasks. While existing work primarily focused on the lexical specialization of monolingual PLMs with immense quantities of monolingual constraints, in this work we expose massively multilingual transformers (MMTs, e.g., mBERT or XLM-R) to multilingual lexical knowledge at scale, leveraging BabelNet as the readily available rich source of multilingual and cross-lingual type-level lexical knowledge. Concretely, we use BabelNet's multilingual synsets to create synonym pairs (or synonym-gloss pairs) across 50 languages and then subject the MMTs (mBERT and XLM-R) to a lexical specialization procedure guided by a contrastive objective. We show that such massively multilingual lexical specialization brings substantial gains in two standard cross-lingual lexical tasks, bilingual lexicon induction and cross-lingual word similarity, as well as in cross-lingual sentence retrieval. Crucially, we observe gains for languages unseen in specialization, indicating that multilingual lexical specialization enables generalization to languages with no lexical constraints. In a series of subsequent controlled experiments, we show that the number of specialization constraints plays a much greater role than the set of languages from which they originate.

In recent years, the rapid advancement of Large Language Models (LLMs) has transformed the landscape of scientific research, offering unprecedented support across various stages of the research cycle. This paper presents the first systematic survey dedicated to exploring how LLMs are revolutionizing the scientific research process. We analyze the unique roles LLMs play across four critical stages of research: hypothesis discovery, experiment planning and implementation, scientific writing, and peer reviewing. Our review comprehensively showcases the task-specific methodologies and evaluation benchmarks. By identifying current challenges and proposing future research directions, this survey not only highlights the transformative potential of LLMs, but also aims to inspire and guide researchers and practitioners in leveraging LLMs to advance scientific inquiry. Resources are available at the following repository: https://github.com/du-nlp-lab/LLM4SR

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain knowledge. This paper provides a thorough exploration of the nuanced methodologies employed in integrating LLMs into the field of chemistry, delving into the complexities and innovations at this interdisciplinary juncture. Specifically, our analysis begins with examining how molecular information is fed into LLMs through various representation and tokenization methods. We then categorize chemical LLMs into three distinct groups based on the domain and modality of their input data, and discuss approaches for integrating these inputs for LLMs. Furthermore, this paper delves into the pretraining objectives with adaptations to chemical LLMs. After that, we explore the diverse applications of LLMs in chemistry, including novel paradigms for their application in chemistry tasks. Finally, we identify promising research directions, including further integration with chemical knowledge, advancements in continual learning, and improvements in model interpretability, paving the way for groundbreaking developments in the field.

Despite much progress in recent years, the vast majority of work in natural language processing (NLP) is on standard languages with many speakers. In this work, we instead focus on low-resource languages and in particular non-standardized low-resource languages. Even within branches of major language families, often considered well-researched, little is known about the extent and type of available resources and what the major NLP challenges are for these language varieties. The first step to address this situation is a systematic survey of available corpora (most importantly, annotated corpora, which are particularly valuable for NLP research). Focusing on Germanic low-resource language varieties, we provide such a survey in this paper. Except for geolocation (origin of speaker or document), we find that manually annotated linguistic resources are sparse and, if they exist, mostly cover morphosyntax. Despite this lack of resources, we observe that interest in this area is increasing: there is active development and a growing research community. To facilitate research, we make our overview of over 80 corpora publicly available. We share a companion website of this overview at https://github.com/mainlp/germanic-lrl-corpora .

As an efficient approach to understand, generate, and process natural language texts, research in natural language processing (NLP) has exhibited a rapid spread and wide adoption in recent years. Given the increasing research work in this area, several NLP-related approaches have been surveyed in the research community. However, a comprehensive study that categorizes established topics, identifies trends, and outlines areas for future research remains absent. Contributing to closing this gap, we have systematically classified and analyzed research papers in the ACL Anthology. As a result, we present a structured overview of the research landscape, provide a taxonomy of fields of study in NLP, analyze recent developments in NLP, summarize our findings, and highlight directions for future work.

Bangla -- ranked as the 6th most widely spoken language across the world (https://www.ethnologue.com/guides/ethnologue200), with 230 million native speakers -- is still considered as a low-resource language in the natural language processing (NLP) community. With three decades of research, Bangla NLP (BNLP) is still lagging behind mainly due to the scarcity of resources and the challenges that come with it. There is sparse work in different areas of BNLP; however, a thorough survey reporting previous work and recent advances is yet to be done. In this study, we first provide a review of Bangla NLP tasks, resources, and tools available to the research community; we benchmark datasets collected from various platforms for nine NLP tasks using current state-of-the-art algorithms (i.e., transformer-based models). We provide comparative results for the studied NLP tasks by comparing monolingual vs. multilingual models of varying sizes. We report our results using both individual and consolidated datasets and provide data splits for future research. We reviewed a total of 108 papers and conducted 175 sets of experiments. Our results show promising performance using transformer-based models while highlighting the trade-off with computational costs. We hope that such a comprehensive survey will motivate the community to build on and further advance the research on Bangla NLP.

The recent success of general-domain large language models (LLMs) has significantly changed the natural language processing paradigm towards a unified foundation model across domains and applications. In this paper, we focus on assessing the performance of GPT-4, the most capable LLM so far, on the text-based applications for radiology reports, comparing against state-of-the-art (SOTA) radiology-specific models. Exploring various prompting strategies, we evaluated GPT-4 on a diverse range of common radiology tasks and we found GPT-4 either outperforms or is on par with current SOTA radiology models. With zero-shot prompting, GPT-4 already obtains substantial gains (approx 10% absolute improvement) over radiology models in temporal sentence similarity classification (accuracy) and natural language inference (F_1). For tasks that require learning dataset-specific style or schema (e.g. findings summarisation), GPT-4 improves with example-based prompting and matches supervised SOTA. Our extensive error analysis with a board-certified radiologist shows GPT-4 has a sufficient level of radiology knowledge with only occasional errors in complex context that require nuanced domain knowledge. For findings summarisation, GPT-4 outputs are found to be overall comparable with existing manually-written impressions.

NLP models have progressed drastically in recent years, according to numerous datasets proposed to evaluate performance. Questions remain, however, about how particular dataset design choices may impact the conclusions we draw about model capabilities. In this work, we investigate this question in the domain of compositional generalization. We examine the performance of six modeling approaches across 4 datasets, split according to 8 compositional splitting strategies, ranking models by 18 compositional generalization splits in total. Our results show that: i) the datasets, although all designed to evaluate compositional generalization, rank modeling approaches differently; ii) datasets generated by humans align better with each other than they with synthetic datasets, or than synthetic datasets among themselves; iii) generally, whether datasets are sampled from the same source is more predictive of the resulting model ranking than whether they maintain the same interpretation of compositionality; and iv) which lexical items are used in the data can strongly impact conclusions. Overall, our results demonstrate that much work remains to be done when it comes to assessing whether popular evaluation datasets measure what they intend to measure, and suggest that elucidating more rigorous standards for establishing the validity of evaluation sets could benefit the field.

We investigate the impacts of NLP research published in top-tier conferences (i.e., ACL, EMNLP, and NAACL) from 1979 to 2024. By analyzing citations from research articles and external sources such as patents, media, and policy documents, we examine how different NLP topics are consumed both within the academic community and by the broader public. Our findings reveal that language modeling has the widest internal and external influence, while linguistic foundations have lower impacts. We also observe that internal and external impacts generally align, but topics like ethics, bias, and fairness show significant attention in policy documents with much fewer academic citations. Additionally, external domains exhibit distinct preferences, with patents focusing on practical NLP applications and media and policy documents engaging more with the societal implications of NLP models.

The information retrieval community has recently witnessed a revolution due to large pretrained transformer models. Another key ingredient for this revolution was the MS MARCO dataset, whose scale and diversity has enabled zero-shot transfer learning to various tasks. However, not all IR tasks and domains can benefit from one single dataset equally. Extensive research in various NLP tasks has shown that using domain-specific training data, as opposed to a general-purpose one, improves the performance of neural models. In this work, we harness the few-shot capabilities of large pretrained language models as synthetic data generators for IR tasks. We show that models finetuned solely on our unsupervised dataset outperform strong baselines such as BM25 as well as recently proposed self-supervised dense retrieval methods. Furthermore, retrievers finetuned on both supervised and our synthetic data achieve better zero-shot transfer than models finetuned only on supervised data. Code, models, and data are available at https://github.com/zetaalphavector/inpars .

For natural language understanding (NLU) technology to be maximally useful, both practically and as a scientific object of study, it must be general: it must be able to process language in a way that is not exclusively tailored to any one specific task or dataset. In pursuit of this objective, we introduce the General Language Understanding Evaluation benchmark (GLUE), a tool for evaluating and analyzing the performance of models across a diverse range of existing NLU tasks. GLUE is model-agnostic, but it incentivizes sharing knowledge across tasks because certain tasks have very limited training data. We further provide a hand-crafted diagnostic test suite that enables detailed linguistic analysis of NLU models. We evaluate baselines based on current methods for multi-task and transfer learning and find that they do not immediately give substantial improvements over the aggregate performance of training a separate model per task, indicating room for improvement in developing general and robust NLU systems.

A broad range of NLP tasks involve selecting relevant text spans from given source texts. Despite this shared objective, such content selection tasks have traditionally been studied in isolation, each with its own modeling approaches, datasets, and evaluation metrics. In this work, we propose instruction-guided content selection (IGCS) as a beneficial unified framework for such settings, where the task definition and any instance-specific request are encapsulated as instructions to a language model. To promote this framework, we introduce , the first unified benchmark covering diverse content selection tasks. Further, we create a large generic synthetic dataset that can be leveraged for diverse content selection tasks, and show that transfer learning with these datasets often boosts performance, whether dedicated training for the targeted task is available or not. Finally, we address generic inference time issues that arise in LLM-based modeling of content selection, assess a generic evaluation metric, and overall propose the utility of our resources and methods for future content selection models. Models and datasets available at https://github.com/shmuelamar/igcs.

We present a corpus of 5,000 richly annotated abstracts of medical articles describing clinical randomized controlled trials. Annotations include demarcations of text spans that describe the Patient population enrolled, the Interventions studied and to what they were Compared, and the Outcomes measured (the `PICO' elements). These spans are further annotated at a more granular level, e.g., individual interventions within them are marked and mapped onto a structured medical vocabulary. We acquired annotations from a diverse set of workers with varying levels of expertise and cost. We describe our data collection process and the corpus itself in detail. We then outline a set of challenging NLP tasks that would aid searching of the medical literature and the practice of evidence-based medicine.

Recent progress in hardware and methodology for training neural networks has ushered in a new generation of large networks trained on abundant data. These models have obtained notable gains in accuracy across many NLP tasks. However, these accuracy improvements depend on the availability of exceptionally large computational resources that necessitate similarly substantial energy consumption. As a result these models are costly to train and develop, both financially, due to the cost of hardware and electricity or cloud compute time, and environmentally, due to the carbon footprint required to fuel modern tensor processing hardware. In this paper we bring this issue to the attention of NLP researchers by quantifying the approximate financial and environmental costs of training a variety of recently successful neural network models for NLP. Based on these findings, we propose actionable recommendations to reduce costs and improve equity in NLP research and practice.

Large Language Models (LLMs) have catalyzed significant advancements in Natural Language Processing (NLP), yet they encounter challenges such as hallucination and the need for domain-specific knowledge. To mitigate these, recent methodologies have integrated information retrieved from external resources with LLMs, substantially enhancing their performance across NLP tasks. This survey paper addresses the absence of a comprehensive overview on Retrieval-Augmented Language Models (RALMs), both Retrieval-Augmented Generation (RAG) and Retrieval-Augmented Understanding (RAU), providing an in-depth examination of their paradigm, evolution, taxonomy, and applications. The paper discusses the essential components of RALMs, including Retrievers, Language Models, and Augmentations, and how their interactions lead to diverse model structures and applications. RALMs demonstrate utility in a spectrum of tasks, from translation and dialogue systems to knowledge-intensive applications. The survey includes several evaluation methods of RALMs, emphasizing the importance of robustness, accuracy, and relevance in their assessment. It also acknowledges the limitations of RALMs, particularly in retrieval quality and computational efficiency, offering directions for future research. In conclusion, this survey aims to offer a structured insight into RALMs, their potential, and the avenues for their future development in NLP. The paper is supplemented with a Github Repository containing the surveyed works and resources for further study: https://github.com/2471023025/RALM_Survey.

We present Cephalo, a series of multimodal vision large language models (V-LLMs) designed for materials science applications, integrating visual and linguistic data for enhanced understanding and interaction within human-AI and multi-agent AI frameworks. A key innovation of Cephalo is its advanced dataset generation method, which employs a sophisticated algorithm to accurately detect and separate images and their corresponding textual descriptions from PDF documents, such as scientific papers. The method includes a careful refinement of image-text pairs through integrated vision and language processing, ensuring high-quality, contextually relevant, and well reasoned training data. Cephalo is trained on integrated image and text data extracted from thousands of scientific papers and science-focused Wikipedia pages demonstrates can interpret complex visual scenes, generate precise language descriptions, and answer queries about images effectively. The combination of a vision encoder with an autoregressive transformer supports complex natural language understanding in an integrated model, which can be coupled with other generative methods to create an image-to-text-to-image or image-to-text-to-3D pipeline. To explore the development of larger models from smaller ones, we merge sets of layers that originate from different pre-trained source models. This hybrid approach allows us to leverage the domain-specific expertise and general conversational capabilities to harness the strengths of multiple models. We examine the models in diverse use cases that incorporate biological materials, fracture and engineering analysis, protein biophysics, and bio-inspired design based on insect behavior. Generative applications include bio-inspired designs, including pollen-inspired architected materials, as well as the synthesis of bio-inspired material microstructures from a photograph of a solar eclipse.

Readers of academic research papers often read with the goal of answering specific questions. Question Answering systems that can answer those questions can make consumption of the content much more efficient. However, building such tools requires data that reflect the difficulty of the task arising from complex reasoning about claims made in multiple parts of a paper. In contrast, existing information-seeking question answering datasets usually contain questions about generic factoid-type information. We therefore present QASPER, a dataset of 5,049 questions over 1,585 Natural Language Processing papers. Each question is written by an NLP practitioner who read only the title and abstract of the corresponding paper, and the question seeks information present in the full text. The questions are then answered by a separate set of NLP practitioners who also provide supporting evidence to answers. We find that existing models that do well on other QA tasks do not perform well on answering these questions, underperforming humans by at least 27 F1 points when answering them from entire papers, motivating further research in document-grounded, information-seeking QA, which our dataset is designed to facilitate.

A common use of NLP is to facilitate the understanding of large document collections, with a shift from using traditional topic models to Large Language Models. Yet the effectiveness of using LLM for large corpus understanding in real-world applications remains under-explored. This study measures the knowledge users acquire with unsupervised, supervised LLM-based exploratory approaches or traditional topic models on two datasets. While LLM-based methods generate more human-readable topics and show higher average win probabilities than traditional models for data exploration, they produce overly generic topics for domain-specific datasets that do not easily allow users to learn much about the documents. Adding human supervision to the LLM generation process improves data exploration by mitigating hallucination and over-genericity but requires greater human effort. In contrast, traditional. models like Latent Dirichlet Allocation (LDA) remain effective for exploration but are less user-friendly. We show that LLMs struggle to describe the haystack of large corpora without human help, particularly domain-specific data, and face scaling and hallucination limitations due to context length constraints. Dataset available at https://huggingface. co/datasets/zli12321/Bills.

The advancement of machine learning and symbolic approaches have underscored their strengths and weaknesses in Natural Language Processing (NLP). While machine learning approaches are powerful in identifying patterns in data, they often fall short in learning commonsense and the factual knowledge required for the NLP tasks. Meanwhile, the symbolic methods excel in representing knowledge-rich data. However, they struggle to adapt dynamic data and generalize the knowledge. Bridging these two paradigms through hybrid approaches enables the alleviation of weaknesses in both while preserving their strengths. Recent studies extol the virtues of this union, showcasing promising results in a wide range of NLP tasks. In this paper, we present an overview of hybrid approaches used for NLP. Specifically, we delve into the state-of-the-art hybrid approaches used for a broad spectrum of NLP tasks requiring natural language understanding, generation, and reasoning. Furthermore, we discuss the existing resources available for hybrid approaches for NLP along with the challenges and future directions, offering a roadmap for future research avenues.

In order to address increasing demands of real-world applications, the research for knowledge-intensive NLP (KI-NLP) should advance by capturing the challenges of a truly open-domain environment: web-scale knowledge, lack of structure, inconsistent quality and noise. To this end, we propose a new setup for evaluating existing knowledge intensive tasks in which we generalize the background corpus to a universal web snapshot. We investigate a slate of NLP tasks which rely on knowledge - either factual or common sense, and ask systems to use a subset of CCNet - the Sphere corpus - as a knowledge source. In contrast to Wikipedia, otherwise a common background corpus in KI-NLP, Sphere is orders of magnitude larger and better reflects the full diversity of knowledge on the web. Despite potential gaps in coverage, challenges of scale, lack of structure and lower quality, we find that retrieval from Sphere enables a state of the art system to match and even outperform Wikipedia-based models on several tasks. We also observe that while a dense index can outperform a sparse BM25 baseline on Wikipedia, on Sphere this is not yet possible. To facilitate further research and minimise the community's reliance on proprietary, black-box search engines, we share our indices, evaluation metrics and infrastructure.

This study conducts a thorough evaluation of text augmentation techniques across a variety of datasets and natural language processing (NLP) tasks to address the lack of reliable, generalized evidence for these methods. It examines the effectiveness of these techniques in augmenting training sets to improve performance in tasks such as topic classification, sentiment analysis, and offensive language detection. The research emphasizes not only the augmentation methods, but also the strategic order in which real and augmented instances are introduced during training. A major contribution is the development and evaluation of Modified Cyclical Curriculum Learning (MCCL) for augmented datasets, which represents a novel approach in the field. Results show that specific augmentation methods, especially when integrated with MCCL, significantly outperform traditional training approaches in NLP model performance. These results underscore the need for careful selection of augmentation techniques and sequencing strategies to optimize the balance between speed and quality improvement in various NLP tasks. The study concludes that the use of augmentation methods, especially in conjunction with MCCL, leads to improved results in various classification tasks, providing a foundation for future advances in text augmentation strategies in NLP.

Trained on the large corpus, pre-trained language models (PLMs) can capture different levels of concepts in context and hence generate universal language representations. They can benefit multiple downstream natural language processing (NLP) tasks. Although PTMs have been widely used in most NLP applications, especially for high-resource languages such as English, it is under-represented in Lao NLP research. Previous work on Lao has been hampered by the lack of annotated datasets and the sparsity of language resources. In this work, we construct a text classification dataset to alleviate the resource-scare situation of the Lao language. We additionally present the first transformer-based PTMs for Lao with four versions: BERT-small, BERT-base, ELECTRA-small and ELECTRA-base, and evaluate it over two downstream tasks: part-of-speech tagging and text classification. Experiments demonstrate the effectiveness of our Lao models. We will release our models and datasets to the community, hoping to facilitate the future development of Lao NLP applications.

Leading vision-language models (VLMs) are trained on general Internet content, overlooking scientific journals' rich, domain-specific knowledge. Training on specialty-specific literature could yield high-performance, task-specific tools, enabling generative AI to match generalist models in specialty publishing, educational, and clinical tasks. We created NeuroPubs, a multimodal dataset of 23,000 Neurosurgery Publications articles (134M words, 78K image-caption pairs). Using NeuroPubs, VLMs generated publication-ready graphical abstracts (70% of 100 abstracts) and board-style questions indistinguishable from human-written ones (54% of 89,587 questions). We used these questions to train CNS-Obsidian, a 34B-parameter VLM. In a blinded, randomized controlled trial, our model demonstrated non-inferiority to then state-of-the-art GPT-4o in neurosurgical differential diagnosis (clinical utility, 40.62% upvotes vs. 57.89%, p=0.1150; accuracy, 59.38% vs. 65.79%, p=0.3797). Our pilot study demonstrates how training generative AI models on specialty-specific journal content - without large-scale internet data - results in high-performance academic and clinical tools, enabling domain-tailored AI across diverse fields.

Large language models have led to remarkable progress on many NLP tasks, and researchers are turning to ever-larger text corpora to train them. Some of the largest corpora available are made by scraping significant portions of the internet, and are frequently introduced with only minimal documentation. In this work we provide some of the first documentation for the Colossal Clean Crawled Corpus (C4; Raffel et al., 2020), a dataset created by applying a set of filters to a single snapshot of Common Crawl. We begin by investigating where the data came from, and find a significant amount of text from unexpected sources like patents and US military websites. Then we explore the content of the text itself, and find machine-generated text (e.g., from machine translation systems) and evaluation examples from other benchmark NLP datasets. To understand the impact of the filters applied to create this dataset, we evaluate the text that was removed, and show that blocklist filtering disproportionately removes text from and about minority individuals. Finally, we conclude with some recommendations for how to created and document web-scale datasets from a scrape of the internet.

Chemistry plays a crucial role in many domains, such as drug discovery and material science. While large language models (LLMs) such as GPT-4 exhibit remarkable capabilities on natural language processing tasks, existing work shows their performance on chemistry tasks is discouragingly low. In this paper, however, we demonstrate that our developed LLMs can achieve very strong results on a comprehensive set of chemistry tasks, outperforming the most advanced GPT-4 across all the tasks by a substantial margin and approaching the SoTA task-specific models. The key to our success is a large-scale, comprehensive, high-quality dataset for instruction tuning named SMolInstruct. It contains 14 meticulously selected chemistry tasks and over three million high-quality samples, laying a solid foundation for training and evaluating LLMs for chemistry. Based on SMolInstruct, we fine-tune a set of open-source LLMs, among which, we find that Mistral serves as the best base model for chemistry tasks. We further conduct analysis on the impact of trainable parameters, providing insights for future research.

Lately, instruction-based techniques have made significant strides in improving performance in few-shot learning scenarios. They achieve this by bridging the gap between pre-trained language models and fine-tuning for specific downstream tasks. Despite these advancements, the performance of Large Language Models (LLMs) in information extraction tasks like Named Entity Recognition (NER), using prompts or instructions, still falls short of supervised baselines. The reason for this performance gap can be attributed to the fundamental disparity between NER and LLMs. NER is inherently a sequence labeling task, where the model must assign entity-type labels to individual tokens within a sentence. In contrast, LLMs are designed as a text generation task. This distinction between semantic labeling and text generation leads to subpar performance. In this paper, we transform the NER task into a text-generation task that can be readily adapted by LLMs. This involves enhancing source sentences with task-specific instructions and answer choices, allowing for the identification of entities and their types within natural language. We harness the strength of LLMs by integrating supervised learning within them. The goal of this combined strategy is to boost the performance of LLMs in extraction tasks like NER while simultaneously addressing hallucination issues often observed in LLM-generated content. A novel corpus Contract NER comprising seven frequently observed contract categories, encompassing named entities associated with 18 distinct legal entity types is released along with our baseline models. Our models and dataset are available to the community for future research * .

Natural language processing (NLP) practitioners are leveraging large language models (LLM) to create structured datasets from semi-structured and unstructured data sources such as patents, papers, and theses, without having domain-specific knowledge. At the same time, ecological experts are searching for a variety of means to preserve biodiversity. To contribute to these efforts, we focused on endangered species and through in-context learning, we distilled knowledge from GPT-4. In effect, we created datasets for both named entity recognition (NER) and relation extraction (RE) via a two-stage process: 1) we generated synthetic data from GPT-4 of four classes of endangered species, 2) humans verified the factual accuracy of the synthetic data, resulting in gold data. Eventually, our novel dataset contains a total of 3.6K sentences, evenly divided between 1.8K NER and 1.8K RE sentences. The constructed dataset was then used to fine-tune both general BERT and domain-specific BERT variants, completing the knowledge distillation process from GPT-4 to BERT, because GPT-4 is resource intensive. Experiments show that our knowledge transfer approach is effective at creating a NER model suitable for detecting endangered species from texts.

From pre-trained language model (PLM) to large language model (LLM), the field of natural language processing (NLP) has witnessed steep performance gains and wide practical uses. The evaluation of a research field guides its direction of improvement. However, LLMs are extremely hard to thoroughly evaluate for two reasons. First of all, traditional NLP tasks become inadequate due to the excellent performance of LLM. Secondly, existing evaluation tasks are difficult to keep up with the wide range of applications in real-world scenarios. To tackle these problems, existing works proposed various benchmarks to better evaluate LLMs. To clarify the numerous evaluation tasks in both academia and industry, we investigate multiple papers concerning LLM evaluations. We summarize 4 core competencies of LLM, including reasoning, knowledge, reliability, and safety. For every competency, we introduce its definition, corresponding benchmarks, and metrics. Under this competency architecture, similar tasks are combined to reflect corresponding ability, while new tasks can also be easily added into the system. Finally, we give our suggestions on the future direction of LLM's evaluation.

This paper presents our participation in the FinNLP-2023 shared task on multi-lingual environmental, social, and corporate governance issue identification (ML-ESG). The task's objective is to classify news articles based on the 35 ESG key issues defined by the MSCI ESG rating guidelines. Our approach focuses on the English and French subtasks, employing the CerebrasGPT, OPT, and Pythia models, along with the zero-shot and GPT3Mix Augmentation techniques. We utilize various encoder models, such as RoBERTa, DeBERTa, and FinBERT, subjecting them to knowledge distillation and additional training. Our approach yielded exceptional results, securing the first position in the English text subtask with F1-score 0.69 and the second position in the French text subtask with F1-score 0.78. These outcomes underscore the effectiveness of our methodology in identifying ESG issues in news articles across different languages. Our findings contribute to the exploration of ESG topics and highlight the potential of leveraging advanced language models for ESG issue identification.

Pre-trained large language models (PLMs) underlie most new developments in natural language processing. They have shifted the field from application-specific model pipelines to a single model that is adapted to a wide range of tasks. Autoregressive PLMs like GPT-3 or PaLM, alongside techniques like few-shot learning, have additionally shifted the output modality to generation instead of classification or regression. Despite their ubiquitous use, the generation quality of language models is rarely evaluated when these models are introduced. Additionally, it is unclear how existing generation tasks--while they can be used to compare systems at a high level--relate to the real world use cases for which people have been adopting them. In this work, we discuss how to adapt existing application-specific generation benchmarks to PLMs and provide an in-depth, empirical study of the limitations and capabilities of PLMs in natural language generation tasks along dimensions such as scale, architecture, input and output language. Our results show that PLMs differ in their applicability to different data regimes and their generalization to multiple languages and inform which PLMs to use for a given generation task setup. We share best practices to be taken into consideration when benchmarking generation capabilities during the development of upcoming PLMs.

Large language models show impressive results on few-shot NLP tasks. However, these models are memory and computation-intensive. Meta-training allows one to leverage smaller models for few-shot generalization in a domain-general and task-agnostic manner; however, these methods alone results in models that may not have sufficient parameterization or knowledge to adapt quickly to a large variety of tasks. To overcome this issue, we propose meta-training with demonstration retrieval, where we use a dense passage retriever to retrieve semantically similar labeled demonstrations to each example for more varied supervision. By separating external knowledge from model parameters, we can use meta-training to train parameter-efficient models that generalize well on a larger variety of tasks. We construct a meta-training set from UnifiedQA and CrossFit, and propose a demonstration bank based on UnifiedQA tasks. To our knowledge, our work is the first to combine retrieval with meta-training, to use DPR models to retrieve demonstrations, and to leverage demonstrations from many tasks simultaneously, rather than randomly sampling demonstrations from the training set of the target task. Our approach outperforms a variety of targeted parameter-efficient and retrieval-augmented few-shot methods on QA, NLI, and text classification tasks (including SQuAD, QNLI, and TREC). Our approach can be meta-trained and fine-tuned quickly on a single GPU.

This paper presents Okapi, a new dataset for Natural Language to executable web Application Programming Interfaces (NL2API). This dataset is in English and contains 22,508 questions and 9,019 unique API calls, covering three domains. We define new compositional generalization tasks for NL2API which explore the models' ability to extrapolate from simple API calls in the training set to new and more complex API calls in the inference phase. Also, the models are required to generate API calls that execute correctly as opposed to the existing approaches which evaluate queries with placeholder values. Our dataset is different than most of the existing compositional semantic parsing datasets because it is a non-synthetic dataset studying the compositional generalization in a low-resource setting. Okapi is a step towards creating realistic datasets and benchmarks for studying compositional generalization alongside the existing datasets and tasks. We report the generalization capabilities of sequence-to-sequence baseline models trained on a variety of the SCAN and Okapi datasets tasks. The best model achieves 15\% exact match accuracy when generalizing from simple API calls to more complex API calls. This highlights some challenges for future research. Okapi dataset and tasks are publicly available at https://aka.ms/nl2api/data.

The dissemination of Large Language Models (LLMs), trained at scale, and endowed with powerful text-generating abilities, has made it easier for all to produce harmful, toxic, faked or forged content. In response, various proposals have been made to automatically discriminate artificially generated from human-written texts, typically framing the problem as a binary classification problem. Early approaches evaluate an input document with a well-chosen detector LLM, assuming that low-perplexity scores reliably signal machine-made content. More recent systems instead consider two LLMs and compare their probability distributions over the document to further discriminate when perplexity alone cannot. However, using a fixed pair of models can induce brittleness in performance. We extend these approaches to the ensembling of several LLMs and derive a new, theoretically grounded approach to combine their respective strengths. Our experiments, conducted with various generator LLMs, indicate that this approach effectively leverages the strengths of each model, resulting in robust detection performance across multiple domains. Our code and data are available at https://github.com/BaggerOfWords/MOSAIC .

We introduce a novel dataset designed to benchmark the physical and spatial reasoning capabilities of Large Language Models (LLM) based on topology optimization, a method for computing optimal material distributions within a design space under prescribed loads and supports. In this dataset, LLMs are provided with conditions such as 2D boundary, applied forces and supports, and must reason about the resulting optimal material distribution. The dataset includes a variety of tasks, ranging from filling in masked regions within partial structures to predicting complete material distributions. Solving these tasks requires understanding the flow of forces and the required material distribution under given constraints, without access to simulation tools or explicit physical models, challenging models to reason about structural stability and spatial organization. Our dataset targets the evaluation of spatial and physical reasoning abilities in 2D settings, offering a complementary perspective to traditional language and logic benchmarks.

The use of Project Gutenberg (PG) as a text corpus has been extremely popular in statistical analysis of language for more than 25 years. However, in contrast to other major linguistic datasets of similar importance, no consensual full version of PG exists to date. In fact, most PG studies so far either consider only a small number of manually selected books, leading to potential biased subsets, or employ vastly different pre-processing strategies (often specified in insufficient details), raising concerns regarding the reproducibility of published results. In order to address these shortcomings, here we present the Standardized Project Gutenberg Corpus (SPGC), an open science approach to a curated version of the complete PG data containing more than 50,000 books and more than 3 times 10^9 word-tokens. Using different sources of annotated metadata, we not only provide a broad characterization of the content of PG, but also show different examples highlighting the potential of SPGC for investigating language variability across time, subjects, and authors. We publish our methodology in detail, the code to download and process the data, as well as the obtained corpus itself on 3 different levels of granularity (raw text, timeseries of word tokens, and counts of words). In this way, we provide a reproducible, pre-processed, full-size version of Project Gutenberg as a new scientific resource for corpus linguistics, natural language processing, and information retrieval.

Recent progress in large language models (LLMs) has enabled the deployment of many generative NLP applications. At the same time, it has also led to a misleading public discourse that ``it's all been solved.'' Not surprisingly, this has, in turn, made many NLP researchers -- especially those at the beginning of their careers -- worry about what NLP research area they should focus on. Has it all been solved, or what remaining questions can we work on regardless of LLMs? To address this question, this paper compiles NLP research directions rich for exploration. We identify fourteen different research areas encompassing 45 research directions that require new research and are not directly solvable by LLMs. While we identify many research areas, many others exist; we do not cover areas currently addressed by LLMs, but where LLMs lag behind in performance or those focused on LLM development. We welcome suggestions for other research directions to include: https://bit.ly/nlp-era-llm

This paper embarks on an exploration into the Large Language Model (LLM) datasets, which play a crucial role in the remarkable advancements of LLMs. The datasets serve as the foundational infrastructure analogous to a root system that sustains and nurtures the development of LLMs. Consequently, examination of these datasets emerges as a critical topic in research. In order to address the current lack of a comprehensive overview and thorough analysis of LLM datasets, and to gain insights into their current status and future trends, this survey consolidates and categorizes the fundamental aspects of LLM datasets from five perspectives: (1) Pre-training Corpora; (2) Instruction Fine-tuning Datasets; (3) Preference Datasets; (4) Evaluation Datasets; (5) Traditional Natural Language Processing (NLP) Datasets. The survey sheds light on the prevailing challenges and points out potential avenues for future investigation. Additionally, a comprehensive review of the existing available dataset resources is also provided, including statistics from 444 datasets, covering 8 language categories and spanning 32 domains. Information from 20 dimensions is incorporated into the dataset statistics. The total data size surveyed surpasses 774.5 TB for pre-training corpora and 700M instances for other datasets. We aim to present the entire landscape of LLM text datasets, serving as a comprehensive reference for researchers in this field and contributing to future studies. Related resources are available at: https://github.com/lmmlzn/Awesome-LLMs-Datasets.

We present a new resource for the NLP community, namely a large (3.5M+ sentence) knowledge base of *generic statements*, e.g., "Trees remove carbon dioxide from the atmosphere", collected from multiple corpora. This is the first large resource to contain *naturally occurring* generic sentences, as opposed to extracted or crowdsourced triples, and thus is rich in high-quality, general, semantically complete statements. All GenericsKB sentences are annotated with their topical term, surrounding context (sentences), and a (learned) confidence. We also release GenericsKB-Best (1M+ sentences), containing the best-quality generics in GenericsKB augmented with selected, synthesized generics from WordNet and ConceptNet. In tests on two existing datasets requiring multihop reasoning (OBQA and QASC), we find using GenericsKB can result in higher scores and better explanations than using a much larger corpus. This demonstrates that GenericsKB can be a useful resource for NLP applications, as well as providing data for linguistic studies of generics and their semantics. GenericsKB is available at https://allenai.org/data/genericskb.

This project investigates the efficacy of Large Language Models (LLMs) in understanding and extracting scientific knowledge across specific domains and to create a deep learning framework: Knowledge AI. As a part of this framework, we employ pre-trained models and fine-tune them on datasets in the scientific domain. The models are adapted for four key Natural Language Processing (NLP) tasks: summarization, text generation, question answering, and named entity recognition. Our results indicate that domain-specific fine-tuning significantly enhances model performance in each of these tasks, thereby improving their applicability for scientific contexts. This adaptation enables non-experts to efficiently query and extract information within targeted scientific fields, demonstrating the potential of fine-tuned LLMs as a tool for knowledge discovery in the sciences.

Wikimedia content is used extensively by the AI community and within the language modeling community in particular. In this paper, we provide a review of the different ways in which Wikimedia data is curated to use in NLP tasks across pre-training, post-training, and model evaluations. We point to opportunities for greater use of Wikimedia content but also identify ways in which the language modeling community could better center the needs of Wikimedia editors. In particular, we call for incorporating additional sources of Wikimedia data, a greater focus on benchmarks for LLMs that encode Wikimedia principles, and greater multilingualism in Wikimedia-derived datasets.

Metadata extraction is essential for cataloging and preserving datasets, enabling effective research discovery and reproducibility, especially given the current exponential growth in scientific research. While Masader (Alyafeai et al.,2021) laid the groundwork for extracting a wide range of metadata attributes from Arabic NLP datasets' scholarly articles, it relies heavily on manual annotation. In this paper, we present MOLE, a framework that leverages Large Language Models (LLMs) to automatically extract metadata attributes from scientific papers covering datasets of languages other than Arabic. Our schema-driven methodology processes entire documents across multiple input formats and incorporates robust validation mechanisms for consistent output. Additionally, we introduce a new benchmark to evaluate the research progress on this task. Through systematic analysis of context length, few-shot learning, and web browsing integration, we demonstrate that modern LLMs show promising results in automating this task, highlighting the need for further future work improvements to ensure consistent and reliable performance. We release the code: https://github.com/IVUL-KAUST/MOLE and dataset: https://huggingface.co/datasets/IVUL-KAUST/MOLE for the research community.

This paper explores the use of large language models (LLMs) as research tools in the history, philosophy, and sociology of science (HPSS). LLMs are remarkably effective at processing unstructured text and inferring meaning from context, offering new affordances that challenge long-standing divides between computational and interpretive methods. This raises both opportunities and challenges for HPSS, which emphasizes interpretive methodologies and understands meaning as context-dependent, ambiguous, and historically situated. We argue that HPSS is uniquely positioned not only to benefit from LLMs' capabilities but also to interrogate their epistemic assumptions and infrastructural implications. To this end, we first offer a concise primer on LLM architectures and training paradigms tailored to non-technical readers. We frame LLMs not as neutral tools but as epistemic infrastructures that encode assumptions about meaning, context, and similarity, conditioned by their training data, architecture, and patterns of use. We then examine how computational techniques enhanced by LLMs, such as structuring data, detecting patterns, and modeling dynamic processes, can be applied to support interpretive research in HPSS. Our analysis compares full-context and generative models, outlines strategies for domain and task adaptation (e.g., continued pretraining, fine-tuning, and retrieval-augmented generation), and evaluates their respective strengths and limitations for interpretive inquiry in HPSS. We conclude with four lessons for integrating LLMs into HPSS: (1) model selection involves interpretive trade-offs; (2) LLM literacy is foundational; (3) HPSS must define its own benchmarks and corpora; and (4) LLMs should enhance, not replace, interpretive methods.

Transfer learning, where a model is first pre-trained on a data-rich task before being fine-tuned on a downstream task, has emerged as a powerful technique in natural language processing (NLP). The effectiveness of transfer learning has given rise to a diversity of approaches, methodology, and practice. In this paper, we explore the landscape of transfer learning techniques for NLP by introducing a unified framework that converts all text-based language problems into a text-to-text format. Our systematic study compares pre-training objectives, architectures, unlabeled data sets, transfer approaches, and other factors on dozens of language understanding tasks. By combining the insights from our exploration with scale and our new ``Colossal Clean Crawled Corpus'', we achieve state-of-the-art results on many benchmarks covering summarization, question answering, text classification, and more. To facilitate future work on transfer learning for NLP, we release our data set, pre-trained models, and code.

Recent work has demonstrated that increased training dataset diversity improves general cross-domain knowledge and downstream generalization capability for large-scale language models. With this in mind, we present the Pile: an 825 GiB English text corpus targeted at training large-scale language models. The Pile is constructed from 22 diverse high-quality subsets -- both existing and newly constructed -- many of which derive from academic or professional sources. Our evaluation of the untuned performance of GPT-2 and GPT-3 on the Pile shows that these models struggle on many of its components, such as academic writing. Conversely, models trained on the Pile improve significantly over both Raw CC and CC-100 on all components of the Pile, while improving performance on downstream evaluations. Through an in-depth exploratory analysis, we document potentially concerning aspects of the data for prospective users. We make publicly available the code used in its construction.

With the rapid development of large language models in recent years, there has been an increasing demand for domain-specific Agents that can cater to the unique needs of enterprises and organizations. Unlike general models, which strive for broad coverage, these specialized Agents rely on focused datasets tailored to their intended applications. This research proposes a pipeline that leverages the power of LLMs and the Retrieval-Augmented Generation related framework to construct high-quality instruction datasets for fine-tuning on specific domains using custom document collections. By ingesting domain-specific documents, the pipeline generates relevant and contextually appropriate instructions, thus effectively creating a comprehensive dataset for fine-tuning LLMs on the target domain. This approach overcomes the limitations of traditional dataset creation methods, which often rely on manual curation or web-scraping techniques that may introduce noise and irrelevant data. Notably, our pipeline offers a dynamic solution that can quickly adapt to updates or modifications in the domain-specific document collection, eliminating the need for complete retraining. Additionally, it addresses the challenge of data scarcity by enabling the generation of instruction datasets from a limited set of initial documents, rendering it suitable for unpopular or specialized domains where comprehensive datasets are scarce. As a case study, we apply this approach to the domain of psychiatry, a field requiring specialized knowledge and sensitive handling of patient information. The resulting fine-tuned LLM demonstrates showcases the viability of the proposed approach and underscores its potential for widespread adoption across various industries and domains where tailored, accurate, and contextually relevant language models are indispensable.

Recent strides in Large Language Models (LLMs) have saturated many NLP benchmarks (even professional domain-specific ones), emphasizing the need for novel, more challenging novel ones to properly assess LLM capabilities. In this paper, we introduce a novel NLP benchmark that poses challenges to current LLMs across four key dimensions: processing long documents (up to 50K tokens), utilizing domain specific knowledge (embodied in legal texts), multilingual understanding (covering five languages), and multitasking (comprising legal document to document Information Retrieval, Court View Generation, Leading Decision Summarization, Citation Extraction, and eight challenging Text Classification tasks). Our benchmark comprises diverse legal NLP datasets from the Swiss legal system, allowing for a comprehensive study of the underlying Non-English, inherently multilingual, federal legal system. Despite recent advances, efficiently processing long documents for intense review/analysis tasks remains an open challenge for language models. Also, comprehensive, domain-specific benchmarks requiring high expertise to develop are rare, as are multilingual benchmarks. This scarcity underscores our contribution's value, considering most public models are trained predominantly on English corpora, while other languages remain understudied, particularly for practical domain-specific NLP tasks. Our benchmark allows for testing and advancing the state-of-the-art LLMs. As part of our study, we evaluate several pre-trained multilingual language models on our benchmark to establish strong baselines as a point of reference. Despite the large size of our datasets (tens to hundreds of thousands of examples), existing publicly available models struggle with most tasks, even after in-domain pretraining. We publish all resources (benchmark suite, pre-trained models, code) under a fully permissive open CC BY-SA license.

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

The integration of molecule and language has garnered increasing attention in molecular science. Recent advancements in Language Models (LMs) have demonstrated potential for the comprehensive modeling of molecule and language. However, existing works exhibit notable limitations. Most existing works overlook the modeling of 3D information, which is crucial for understanding molecular structures and also functions. While some attempts have been made to leverage external structure encoding modules to inject the 3D molecular information into LMs, there exist obvious difficulties that hinder the integration of molecular structure and language text, such as modality alignment and separate tuning. To bridge this gap, we propose 3D-MolT5, a unified framework designed to model both 1D molecular sequence and 3D molecular structure. The key innovation lies in our methodology for mapping fine-grained 3D substructure representations (based on 3D molecular fingerprints) to a specialized 3D token vocabulary for 3D-MolT5. This 3D structure token vocabulary enables the seamless combination of 1D sequence and 3D structure representations in a tokenized format, allowing 3D-MolT5 to encode molecular sequence (SELFIES), molecular structure, and text sequences within a unified architecture. Alongside, we further introduce 1D and 3D joint pre-training to enhance the model's comprehension of these diverse modalities in a joint representation space and better generalize to various tasks for our foundation model. Through instruction tuning on multiple downstream datasets, our proposed 3D-MolT5 shows superior performance than existing methods in molecular property prediction, molecule captioning, and text-based molecule generation tasks. Our code will be available on GitHub soon.

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that still cannot be handled with the encoded knowledge of LLMs, various retrieval-augmented generation (RAG) methods have been developed by searching documents from the knowledge corpus and appending them unconditionally or selectively to the input of LLMs for generation. However, when applying existing methods to different domain-specific problems, poor generalization becomes apparent, leading to fetching incorrect documents or making inaccurate judgments. In this paper, we introduce Self-BioRAG, a framework reliable for biomedical text that specializes in generating explanations, retrieving domain-specific documents, and self-reflecting generated responses. We utilize 84k filtered biomedical instruction sets to train Self-BioRAG that can assess its generated explanations with customized reflective tokens. Our work proves that domain-specific components, such as a retriever, domain-related document corpus, and instruction sets are necessary for adhering to domain-related instructions. Using three major medical question-answering benchmark datasets, experimental results of Self-BioRAG demonstrate significant performance gains by achieving a 7.2% absolute improvement on average over the state-of-the-art open-foundation model with a parameter size of 7B or less. Overall, we analyze that Self-BioRAG finds the clues in the question, retrieves relevant documents if needed, and understands how to answer with information from retrieved documents and encoded knowledge as a medical expert does. We release our data and code for training our framework components and model weights (7B and 13B) to enhance capabilities in biomedical and clinical domains.

The absence of explicitly tailored, accessible annotated datasets for educational purposes presents a notable obstacle for NLP tasks in languages with limited resources.This study initially explores the feasibility of using machine translation (MT) to convert an existing dataset into a Tigrinya dataset in SQuAD format. As a result, we present TIGQA, an expert annotated educational dataset consisting of 2.68K question-answer pairs covering 122 diverse topics such as climate, water, and traffic. These pairs are from 537 context paragraphs in publicly accessible Tigrinya and Biology books. Through comprehensive analyses, we demonstrate that the TIGQA dataset requires skills beyond simple word matching, requiring both single-sentence and multiple-sentence inference abilities. We conduct experiments using state-of-the art MRC methods, marking the first exploration of such models on TIGQA. Additionally, we estimate human performance on the dataset and juxtapose it with the results obtained from pretrained models.The notable disparities between human performance and best model performance underscore the potential for further enhancements to TIGQA through continued research. Our dataset is freely accessible via the provided link to encourage the research community to address the challenges in the Tigrinya MRC.

State-of-the-art natural language processing (NLP) models often learn to model dataset biases and surface form correlations instead of features that target the intended underlying task. Previous work has demonstrated effective methods to circumvent these issues when knowledge of the bias is available. We consider cases where the bias issues may not be explicitly identified, and show a method for training models that learn to ignore these problematic correlations. Our approach relies on the observation that models with limited capacity primarily learn to exploit biases in the dataset. We can leverage the errors of such limited capacity models to train a more robust model in a product of experts, thus bypassing the need to hand-craft a biased model. We show the effectiveness of this method to retain improvements in out-of-distribution settings even if no particular bias is targeted by the biased model.

A challenge towards developing NLP systems for the world's languages is understanding how they generalize to typological differences relevant for real-world applications. To this end, we propose M2C, a morphologically-aware framework for behavioral testing of NLP models. We use M2C to generate tests that probe models' behavior in light of specific linguistic features in 12 typologically diverse languages. We evaluate state-of-the-art language models on the generated tests. While models excel at most tests in English, we highlight generalization failures to specific typological characteristics such as temporal expressions in Swahili and compounding possessives in Finish. Our findings motivate the development of models that address these blind spots.

This paper surveys and organizes research works in a new paradigm in natural language processing, which we dub "prompt-based learning". Unlike traditional supervised learning, which trains a model to take in an input x and predict an output y as P(y|x), prompt-based learning is based on language models that model the probability of text directly. To use these models to perform prediction tasks, the original input x is modified using a template into a textual string prompt x' that has some unfilled slots, and then the language model is used to probabilistically fill the unfilled information to obtain a final string x, from which the final output y can be derived. This framework is powerful and attractive for a number of reasons: it allows the language model to be pre-trained on massive amounts of raw text, and by defining a new prompting function the model is able to perform few-shot or even zero-shot learning, adapting to new scenarios with few or no labeled data. In this paper we introduce the basics of this promising paradigm, describe a unified set of mathematical notations that can cover a wide variety of existing work, and organize existing work along several dimensions, e.g.the choice of pre-trained models, prompts, and tuning strategies. To make the field more accessible to interested beginners, we not only make a systematic review of existing works and a highly structured typology of prompt-based concepts, but also release other resources, e.g., a website http://pretrain.nlpedia.ai/ including constantly-updated survey, and paperlist.

In NLP, zero-shot classification (ZSC) is the task of assigning labels to textual data without any labeled examples for the target classes. A common method for ZSC is to fine-tune a language model on a Natural Language Inference (NLI) dataset and then use it to infer the entailment between the input document and the target labels. However, this approach faces certain challenges, particularly for languages with limited resources. In this paper, we propose an alternative solution that leverages dictionaries as a source of data for ZSC. We focus on Luxembourgish, a low-resource language spoken in Luxembourg, and construct two new topic relevance classification datasets based on a dictionary that provides various synonyms, word translations and example sentences. We evaluate the usability of our dataset and compare it with the NLI-based approach on two topic classification tasks in a zero-shot manner. Our results show that by using the dictionary-based dataset, the trained models outperform the ones following the NLI-based approach for ZSC. While we focus on a single low-resource language in this study, we believe that the efficacy of our approach can also transfer to other languages where such a dictionary is available.

Pre-trained language models (PLM) based on transformer neural networks developed in the field of natural language processing (NLP) offer great opportunities to improve automatic content analysis in communication science, especially for the coding of complex semantic categories in large datasets via supervised machine learning. However, three characteristics so far impeded the widespread adoption of the methods in the applying disciplines: the dominance of English language models in NLP research, the necessary computing resources, and the effort required to produce training data to fine-tune PLMs. In this study, we address these challenges by using a multilingual transformer model in combination with the adapter extension to transformers, and few-shot learning methods. We test our approach on a realistic use case from communication science to automatically detect claims and arguments together with their stance in the German news debate on arms deliveries to Ukraine. In three experiments, we evaluate (1) data preprocessing strategies and model variants for this task, (2) the performance of different few-shot learning methods, and (3) how well the best setup performs on varying training set sizes in terms of validity, reliability, replicability and reproducibility of the results. We find that our proposed combination of transformer adapters with pattern exploiting training provides a parameter-efficient and easily shareable alternative to fully fine-tuning PLMs. It performs on par in terms of validity, while overall, provides better properties for application in communication studies. The results also show that pre-fine-tuning for a task on a near-domain dataset leads to substantial improvement, in particular in the few-shot setting. Further, the results indicate that it is useful to bias the dataset away from the viewpoints of specific prominent individuals.

Large language models (LLMs) have revolutionized Natural Language Processing (NLP) by minimizing the need for complex feature engineering. However, the application of LLMs in specialized domains like biopharmaceuticals and chemistry remains largely unexplored. These fields are characterized by intricate terminologies, specialized knowledge, and a high demand for precision areas where general purpose LLMs often fall short. In this study, we introduce PharmaGPT, a suite of domain specilized LLMs with 13 billion and 70 billion parameters, specifically trained on a comprehensive corpus tailored to the Bio-Pharmaceutical and Chemical domains. Our evaluation shows that PharmaGPT surpasses existing general models on specific-domain benchmarks such as NAPLEX, demonstrating its exceptional capability in domain-specific tasks. Remarkably, this performance is achieved with a model that has only a fraction, sometimes just one-tenth-of the parameters of general-purpose large models. This advancement establishes a new benchmark for LLMs in the bio-pharmaceutical and chemical fields, addressing the existing gap in specialized language modeling. It also suggests a promising path for enhanced research and development, paving the way for more precise and effective NLP applications in these areas.

Multimodal Large Language Models (MLLMs) have advanced in integrating diverse modalities but frequently suffer from hallucination. A promising solution to mitigate this issue is to generate text with citations, providing a transparent chain for verification. However, existing work primarily focuses on generating citations for text-only content, overlooking the challenges and opportunities of multimodal contexts. To address this gap, we introduce MCiteBench, the first benchmark designed to evaluate and analyze the multimodal citation text generation ability of MLLMs. Our benchmark comprises data derived from academic papers and review-rebuttal interactions, featuring diverse information sources and multimodal content. We comprehensively evaluate models from multiple dimensions, including citation quality, source reliability, and answer accuracy. Through extensive experiments, we observe that MLLMs struggle with multimodal citation text generation. We also conduct deep analyses of models' performance, revealing that the bottleneck lies in attributing the correct sources rather than understanding the multimodal content.

Natural language modeling with limited training data is a challenging problem, and many algorithms make use of large-scale pretrained language models (PLMs) for this due to its great generalization ability. Among them, additive learning that incorporates a task-specific adapter on top of the fixed large-scale PLM has been popularly used in the few-shot setting. However, this added adapter is still easy to disregard the knowledge of the PLM especially for few-shot natural language generation (NLG) since an entire sequence is usually generated by only the newly trained adapter. Therefore, in this work, we develop a novel additive learning algorithm based on reinforcement learning (RL) that selectively outputs language tokens between the task-general PLM and the task-specific adapter during both training and inference. This output token selection over the two generators allows the adapter to take into account solely the task-relevant parts in sequence generation, and therefore makes it more robust to overfitting as well as more stable in RL training. In addition, to obtain the complementary adapter from the PLM for each few-shot task, we exploit a separate selecting module that is also simultaneously trained using RL. Experimental results on various few-shot NLG tasks including question answering, data-to-text generation and text summarization demonstrate that the proposed selective token generation significantly outperforms the previous additive learning algorithms based on the PLMs.

Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences where reproducibility is crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably biased task to fine-tune them on domain-specific literature and data. Here we introduce LLaMP, a multimodal retrieval-augmented generation (RAG) framework of multiple data-aware reasoning-and-acting (ReAct) agents that dynamically interact with computational and experimental data on Materials Project (MP). Without fine-tuning, LLaMP demonstrates an ability to comprehend and integrate various modalities of materials science concepts, fetch relevant data stores on the fly, process higher-order data (such as crystal structures and elastic tensors), and summarize multi-step procedures for solid-state synthesis. We show that LLaMP effectively corrects errors in GPT-3.5's intrinsic knowledge, reducing a 5.21% MAPE on frequently-documented bandgaps and a significant 1103.54% MAPE on formation energies -- errors that GPT-3.5 seems to derive from mixed data sources. Additionally, LLaMP substantially reduces the hallucinated volumetric strain in a diamond cubic silicon structure from 66.3% to 0. The proposed framework offers an intuitive and nearly hallucination-free approach to exploring materials informatics and establishes a pathway for knowledge distillation and fine-tuning other language models. We envision the framework as a valuable component for scientific hypotheses and a foundation for future autonomous laboratories where multiple LLM agents communicate and cooperate with robotics to drive material synthesis and chemical reactions without hard-coded human logic and intervention.

Word embeddings and language models have transformed natural language processing (NLP) by facilitating the representation of linguistic elements in continuous vector spaces. This review visits foundational concepts such as the distributional hypothesis and contextual similarity, tracing the evolution from sparse representations like one-hot encoding to dense embeddings including Word2Vec, GloVe, and fastText. We examine both static and contextualized embeddings, underscoring advancements in models such as ELMo, BERT, and GPT and their adaptations for cross-lingual and personalized applications. The discussion extends to sentence and document embeddings, covering aggregation methods and generative topic models, along with the application of embeddings in multimodal domains, including vision, robotics, and cognitive science. Advanced topics such as model compression, interpretability, numerical encoding, and bias mitigation are analyzed, addressing both technical challenges and ethical implications. Additionally, we identify future research directions, emphasizing the need for scalable training techniques, enhanced interpretability, and robust grounding in non-textual modalities. By synthesizing current methodologies and emerging trends, this survey offers researchers and practitioners an in-depth resource to push the boundaries of embedding-based language models.

Getting the most out of limited resources allows advances in natural language processing (NLP) research and practice while being conservative with resources. Those resources may be data, time, storage, or energy. Recent work in NLP has yielded interesting results from scaling; however, using only scale to improve results means that resource consumption also scales. That relationship motivates research into efficient methods that require less resources to achieve similar results. This survey relates and synthesises methods and findings in those efficiencies in NLP, aiming to guide new researchers in the field and inspire the development of new methods.

Democratizing access to natural language processing (NLP) technology is crucial, especially for underrepresented and extremely low-resource languages. Previous research has focused on developing labeled and unlabeled corpora for these languages through online scraping and document translation. While these methods have proven effective and cost-efficient, we have identified limitations in the resulting corpora, including a lack of lexical diversity and cultural relevance to local communities. To address this gap, we conduct a case study on Indonesian local languages. We compare the effectiveness of online scraping, human translation, and paragraph writing by native speakers in constructing datasets. Our findings demonstrate that datasets generated through paragraph writing by native speakers exhibit superior quality in terms of lexical diversity and cultural content. In addition, we present the benchmark, encompassing 12 underrepresented and extremely low-resource languages spoken by millions of individuals in Indonesia. Our empirical experiment results using existing multilingual large language models conclude the need to extend these models to more underrepresented languages. We release the NusaWrites dataset at https://github.com/IndoNLP/nusa-writes.

In the last five years, there has been a significant focus in Natural Language Processing (NLP) on developing larger Pretrained Language Models (PLMs) and introducing benchmarks such as SuperGLUE and SQuAD to measure their abilities in language understanding, reasoning, and reading comprehension. These PLMs have achieved impressive results on these benchmarks, even surpassing human performance in some cases. This has led to claims of superhuman capabilities and the provocative idea that certain tasks have been solved. In this position paper, we take a critical look at these claims and ask whether PLMs truly have superhuman abilities and what the current benchmarks are really evaluating. We show that these benchmarks have serious limitations affecting the comparison between humans and PLMs and provide recommendations for fairer and more transparent benchmarks.

Automatic evaluation of natural language generation has long been an elusive goal in NLP.A recent paradigm fine-tunes pre-trained language models to emulate human judgements for a particular task and evaluation criterion. Inspired by the generalization ability of instruction-tuned models, we propose a learned metric based on instruction tuning. To test our approach, we collected HEAP, a dataset of human judgements across various NLG tasks and evaluation criteria. Our findings demonstrate that instruction tuning language models on HEAP yields good performance on many evaluation tasks, though some criteria are less trivial to learn than others. Further, jointly training on multiple tasks can yield additional performance improvements, which can be beneficial for future tasks with little to no human annotated data.

Advances in Natural Language Processing (NLP) have revolutionized the way researchers and practitioners address crucial societal problems. Large language models are now the standard to develop state-of-the-art solutions for text detection and classification tasks. However, the development of advanced computational techniques and resources is disproportionately focused on the English language, sidelining a majority of the languages spoken globally. While existing research has developed better multilingual and monolingual language models to bridge this language disparity between English and non-English languages, we explore the promise of incorporating the information contained in images via multimodal machine learning. Our comparative analyses on three detection tasks focusing on crisis information, fake news, and emotion recognition, as well as five high-resource non-English languages, demonstrate that: (a) detection frameworks based on pre-trained large language models like BERT and multilingual-BERT systematically perform better on the English language compared against non-English languages, and (b) including images via multimodal learning bridges this performance gap. We situate our findings with respect to existing work on the pitfalls of large language models, and discuss their theoretical and practical implications. Resources for this paper are available at https://multimodality-language-disparity.github.io/.

We present the ongoing NorLM initiative to support the creation and use of very large contextualised language models for Norwegian (and in principle other Nordic languages), including a ready-to-use software environment, as well as an experience report for data preparation and training. This paper introduces the first large-scale monolingual language models for Norwegian, based on both the ELMo and BERT frameworks. In addition to detailing the training process, we present contrastive benchmark results on a suite of NLP tasks for Norwegian. For additional background and access to the data, models, and software, please see http://norlm.nlpl.eu

Large Language Models (LLMs), particularly those similar to ChatGPT, have significantly influenced the field of Natural Language Processing (NLP). While these models excel in general language tasks, their performance in domain-specific downstream tasks such as biomedical and clinical Named Entity Recognition (NER), Relation Extraction (RE), and Medical Natural Language Inference (NLI) is still evolving. In this context, our study investigates the potential of instruction tuning for biomedical language processing, applying this technique to two general LLMs of substantial scale. We present a comprehensive, instruction-based model trained on a dataset that consists of approximately 200,000 instruction-focused samples. This dataset represents a carefully curated compilation of existing data, meticulously adapted and reformatted to align with the specific requirements of our instruction-based tasks. This initiative represents an important step in utilising such models to achieve results on par with specialised encoder-only models like BioBERT and BioClinicalBERT for various classical biomedical NLP tasks. Our work includes an analysis of the dataset's composition and its impact on model performance, providing insights into the intricacies of instruction tuning. By sharing our codes, models, and the distinctively assembled instruction-based dataset, we seek to encourage ongoing research and development in this area.

While recent Large Language Models (LLMs) have proven useful in answering user queries, they are prone to hallucination, and their responses often lack credibility due to missing references to reliable sources. An intuitive solution to these issues would be to include in-text citations referring to external documents as evidence. While previous works have directly prompted LLMs to generate in-text citations, their performances are far from satisfactory, especially when it comes to smaller LLMs. In this work, we propose an effective training framework using fine-grained rewards to teach LLMs to generate highly supportive and relevant citations, while ensuring the correctness of their responses. We also conduct a systematic analysis of applying these fine-grained rewards to common LLM training strategies, demonstrating its advantage over conventional practices. We conduct extensive experiments on Question Answering (QA) datasets taken from the ALCE benchmark and validate the model's generalizability using EXPERTQA. On LLaMA-2-7B, the incorporation of fine-grained rewards achieves the best performance among the baselines, even surpassing that of GPT-3.5-turbo.

The automatic extraction of materials and related properties from the scientific literature is gaining attention in data-driven materials science (Materials Informatics). In this paper, we discuss Grobid-superconductors, our solution for automatically extracting superconductor material names and respective properties from text. Built as a Grobid module, it combines machine learning and heuristic approaches in a multi-step architecture that supports input data as raw text or PDF documents. Using Grobid-superconductors, we built SuperCon2, a database of 40324 materials and properties records from 37700 papers. The material (or sample) information is represented by name, chemical formula, and material class, and is characterized by shape, doping, substitution variables for components, and substrate as adjoined information. The properties include the Tc superconducting critical temperature and, when available, applied pressure with the Tc measurement method.

Pretrained language models (PLMs) have demonstrated remarkable performance in various natural language processing tasks: Unidirectional PLMs (e.g., GPT) are well known for their superior text generation capabilities; bidirectional PLMs (e.g., BERT) have been the prominent choice for natural language understanding (NLU) tasks. While both types of models have achieved promising few-shot learning performance, their potential for zero-shot learning has been underexplored. In this paper, we present a simple approach that uses both types of PLMs for fully zero-shot learning of NLU tasks without requiring any task-specific data: A unidirectional PLM generates class-conditioned texts guided by prompts, which are used as the training data for fine-tuning a bidirectional PLM. With quality training data selected based on the generation probability and regularization techniques (label smoothing and temporal ensembling) applied to the fine-tuning stage for better generalization and stability, our approach demonstrates strong performance across seven classification tasks of the GLUE benchmark (e.g., 72.3/73.8 on MNLI-m/mm and 92.8 on SST-2), significantly outperforming zero-shot prompting methods and achieving even comparable results to strong few-shot approaches using 32 training samples per class.

The Multimodal Large Language Model (MLLM) is currently experiencing rapid growth, driven by the advanced capabilities of LLMs. Unlike earlier specialists, existing MLLMs are evolving towards a Multimodal Generalist paradigm. Initially limited to understanding multiple modalities, these models have advanced to not only comprehend but also generate across modalities. Their capabilities have expanded from coarse-grained to fine-grained multimodal understanding and from supporting limited modalities to arbitrary ones. While many benchmarks exist to assess MLLMs, a critical question arises: Can we simply assume that higher performance across tasks indicates a stronger MLLM capability, bringing us closer to human-level AI? We argue that the answer is not as straightforward as it seems. This project introduces General-Level, an evaluation framework that defines 5-scale levels of MLLM performance and generality, offering a methodology to compare MLLMs and gauge the progress of existing systems towards more robust multimodal generalists and, ultimately, towards AGI. At the core of the framework is the concept of Synergy, which measures whether models maintain consistent capabilities across comprehension and generation, and across multiple modalities. To support this evaluation, we present General-Bench, which encompasses a broader spectrum of skills, modalities, formats, and capabilities, including over 700 tasks and 325,800 instances. The evaluation results that involve over 100 existing state-of-the-art MLLMs uncover the capability rankings of generalists, highlighting the challenges in reaching genuine AI. We expect this project to pave the way for future research on next-generation multimodal foundation models, providing a robust infrastructure to accelerate the realization of AGI. Project page: https://generalist.top/

Large language models (LLMs) have made impressive progress in chemistry applications, including molecular property prediction, molecular generation, experimental protocol design, etc. However, the community lacks a dialogue-based model specifically designed for chemistry. The challenge arises from the fact that most chemical data and scientific knowledge are primarily stored in structured databases, and the direct use of these structured data compromises the model's ability to maintain coherent dialogue. To tackle this issue, we develop a novel template-based instruction construction method that transforms structured knowledge into plain dialogue, making it suitable for language model training. By leveraging this approach, we develop ChemLLM, the first large language model dedicated to chemistry, capable of performing various tasks across chemical disciplines with smooth dialogue interaction. ChemLLM beats GPT-3.5 on all three principal tasks in chemistry, i.e., name conversion, molecular caption, and reaction prediction, and surpasses GPT-4 on two of them. Remarkably, ChemLLM also shows exceptional adaptability to related mathematical and physical tasks despite being trained mainly on chemical-centric corpora. Furthermore, ChemLLM demonstrates proficiency in specialized NLP tasks within chemistry, such as literature translation and cheminformatic programming. ChemLLM opens up a new avenue for exploration within chemical studies, while our method of integrating structured chemical knowledge into dialogue systems sets a new frontier for developing LLMs across various scientific fields. Codes, Datasets, and Model weights are publicly accessible at hf.co/AI4Chem/ChemLLM-7B-Chat.

Human languages are full of metaphorical expressions. Metaphors help people understand the world by connecting new concepts and domains to more familiar ones. Large pre-trained language models (PLMs) are therefore assumed to encode metaphorical knowledge useful for NLP systems. In this paper, we investigate this hypothesis for PLMs, by probing metaphoricity information in their encodings, and by measuring the cross-lingual and cross-dataset generalization of this information. We present studies in multiple metaphor detection datasets and in four languages (i.e., English, Spanish, Russian, and Farsi). Our extensive experiments suggest that contextual representations in PLMs do encode metaphorical knowledge, and mostly in their middle layers. The knowledge is transferable between languages and datasets, especially when the annotation is consistent across training and testing sets. Our findings give helpful insights for both cognitive and NLP scientists.

Sequence-to-sequence models are commonly trained via maximum likelihood estimation (MLE). However, standard MLE training considers a word-level objective, predicting the next word given the previous ground-truth partial sentence. This procedure focuses on modeling local syntactic patterns, and may fail to capture long-range semantic structure. We present a novel solution to alleviate these issues. Our approach imposes global sequence-level guidance via new supervision based on optimal transport, enabling the overall characterization and preservation of semantic features. We further show that this method can be understood as a Wasserstein gradient flow trying to match our model to the ground truth sequence distribution. Extensive experiments are conducted to validate the utility of the proposed approach, showing consistent improvements over a wide variety of NLP tasks, including machine translation, abstractive text summarization, and image captioning.

Heaps' law is an empirical relation in text analysis that predicts vocabulary growth as a function of corpus size. While this law has been validated in diverse human-authored text corpora, its applicability to large language model generated text remains unexplored. This study addresses this gap, focusing on the emulation of corpora using the suite of GPT-Neo large language models. To conduct our investigation, we emulated corpora of PubMed abstracts using three different parameter sizes of the GPT-Neo model. Our emulation strategy involved using the initial five words of each PubMed abstract as a prompt and instructing the model to expand the content up to the original abstract's length. Our findings indicate that the generated corpora adhere to Heaps' law. Interestingly, as the GPT-Neo model size grows, its generated vocabulary increasingly adheres to Heaps' law as as observed in human-authored text. To further improve the richness and authenticity of GPT-Neo outputs, future iterations could emphasize enhancing model size or refining the model architecture to curtail vocabulary repetition.

Recently, there has been a rapid advancement in research on Large Language Models (LLMs), resulting in significant progress in several Natural Language Processing (NLP) tasks. Consequently, there has been a surge in LLM evaluation research to comprehend the models' capabilities and limitations. However, much of this research has been confined to the English language, leaving LLM building and evaluation for non-English languages relatively unexplored. There has been an introduction of several new LLMs, necessitating their evaluation on non-English languages. This study aims to expand our MEGA benchmarking suite by including six new datasets to form the MEGAVERSE benchmark. The benchmark comprises 22 datasets covering 81 languages, including low-resource African languages. We evaluate several state-of-the-art LLMs like GPT-3.5-Turbo, GPT4, PaLM2, and Llama2 on the MEGAVERSE datasets. Additionally, we include two multimodal datasets in the benchmark and assess the performance of the LLaVa-v1.5 model. Our experiments suggest that GPT4 and PaLM2 outperform the Llama models on various tasks, notably on low-resource languages, with GPT4 outperforming PaLM2 on more datasets than vice versa. However, issues such as data contamination must be addressed to obtain an accurate assessment of LLM performance on non-English languages.

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

Representation learning on text-attributed graphs (TAGs) has become a critical research problem in recent years. A typical example of a TAG is a paper citation graph, where the text of each paper serves as node attributes. Initial graph neural network (GNN) pipelines handled these text attributes by transforming them into shallow or hand-crafted features, such as skip-gram or bag-of-words features. Recent efforts have focused on enhancing these pipelines with language models (LMs), which typically demand intricate designs and substantial computational resources. With the advent of powerful large language models (LLMs) such as GPT or Llama2, which demonstrate an ability to reason and to utilize general knowledge, there is a growing need for techniques which combine the textual modelling abilities of LLMs with the structural learning capabilities of GNNs. Hence, in this work, we focus on leveraging LLMs to capture textual information as features, which can be used to boost GNN performance on downstream tasks. A key innovation is our use of explanations as features: we prompt an LLM to perform zero-shot classification, request textual explanations for its decision-making process, and design an LLM-to-LM interpreter to translate these explanations into informative features for downstream GNNs. Our experiments demonstrate that our method achieves state-of-the-art results on well-established TAG datasets, including Cora, PubMed, ogbn-arxiv, as well as our newly introduced dataset, tape-arxiv23. Furthermore, our method significantly speeds up training, achieving a 2.88 times improvement over the closest baseline on ogbn-arxiv. Lastly, we believe the versatility of the proposed method extends beyond TAGs and holds the potential to enhance other tasks involving graph-text data. Our codes and datasets are available at: https://github.com/XiaoxinHe/TAPE.

In data-to-text (D2T) generation, training on in-domain data leads to overfitting to the data representation and repeating training data noise. We examine how to avoid finetuning pretrained language models (PLMs) on D2T generation datasets while still taking advantage of surface realization capabilities of PLMs. Inspired by pipeline approaches, we propose to generate text by transforming single-item descriptions with a sequence of modules trained on general-domain text-based operations: ordering, aggregation, and paragraph compression. We train PLMs for performing these operations on a synthetic corpus WikiFluent which we build from English Wikipedia. Our experiments on two major triple-to-text datasets -- WebNLG and E2E -- show that our approach enables D2T generation from RDF triples in zero-shot settings.

In the field of language modeling, models augmented with retrieval components have emerged as a promising solution to address several challenges faced in the natural language processing (NLP) field, including knowledge grounding, interpretability, and scalability. Despite the primary focus on NLP, we posit that the paradigm of retrieval-enhancement can be extended to a broader spectrum of machine learning (ML) such as computer vision, time series prediction, and computational biology. Therefore, this work introduces a formal framework of this paradigm, Retrieval-Enhanced Machine Learning (REML), by synthesizing the literature in various domains in ML with consistent notations which is missing from the current literature. Also, we found that while a number of studies employ retrieval components to augment their models, there is a lack of integration with foundational Information Retrieval (IR) research. We bridge this gap between the seminal IR research and contemporary REML studies by investigating each component that comprises the REML framework. Ultimately, the goal of this work is to equip researchers across various disciplines with a comprehensive, formally structured framework of retrieval-enhanced models, thereby fostering interdisciplinary future research.

State-of-the-art supervised NLP models achieve high accuracy but are also susceptible to failures on inputs from low-data regimes, such as domains that are not represented in training data. As an approximation to collecting ground-truth labels for the specific domain, we study the use of large language models (LLMs) for annotating inputs and improving the generalization of NLP models. Specifically, given a budget for LLM annotations, we present an algorithm for sampling the most informative inputs to annotate and retrain the NLP model. We find that popular active learning strategies such as uncertainty-based sampling do not work well. Instead, we propose a sampling strategy based on the difference in prediction scores between the base model and the finetuned NLP model, utilizing the fact that most NLP models are finetuned from a base model. Experiments with classification (semantic similarity) and ranking (semantic search) tasks show that our sampling strategy leads to significant gains in accuracy for both the training and target domains.

Multi-modal data abounds in biomedicine, such as radiology images and reports. Interpreting this data at scale is essential for improving clinical care and accelerating clinical research. Biomedical text with its complex semantics poses additional challenges in vision--language modelling compared to the general domain, and previous work has used insufficiently adapted models that lack domain-specific language understanding. In this paper, we show that principled textual semantic modelling can substantially improve contrastive learning in self-supervised vision--language processing. We release a language model that achieves state-of-the-art results in radiology natural language inference through its improved vocabulary and novel language pretraining objective leveraging semantics and discourse characteristics in radiology reports. Further, we propose a self-supervised joint vision--language approach with a focus on better text modelling. It establishes new state of the art results on a wide range of publicly available benchmarks, in part by leveraging our new domain-specific language model. We release a new dataset with locally-aligned phrase grounding annotations by radiologists to facilitate the study of complex semantic modelling in biomedical vision--language processing. A broad evaluation, including on this new dataset, shows that our contrastive learning approach, aided by textual-semantic modelling, outperforms prior methods in segmentation tasks, despite only using a global-alignment objective.

Recent work has demonstrated substantial gains on many NLP tasks and benchmarks by pre-training on a large corpus of text followed by fine-tuning on a specific task. While typically task-agnostic in architecture, this method still requires task-specific fine-tuning datasets of thousands or tens of thousands of examples. By contrast, humans can generally perform a new language task from only a few examples or from simple instructions - something which current NLP systems still largely struggle to do. Here we show that scaling up language models greatly improves task-agnostic, few-shot performance, sometimes even reaching competitiveness with prior state-of-the-art fine-tuning approaches. Specifically, we train GPT-3, an autoregressive language model with 175 billion parameters, 10x more than any previous non-sparse language model, and test its performance in the few-shot setting. For all tasks, GPT-3 is applied without any gradient updates or fine-tuning, with tasks and few-shot demonstrations specified purely via text interaction with the model. GPT-3 achieves strong performance on many NLP datasets, including translation, question-answering, and cloze tasks, as well as several tasks that require on-the-fly reasoning or domain adaptation, such as unscrambling words, using a novel word in a sentence, or performing 3-digit arithmetic. At the same time, we also identify some datasets where GPT-3's few-shot learning still struggles, as well as some datasets where GPT-3 faces methodological issues related to training on large web corpora. Finally, we find that GPT-3 can generate samples of news articles which human evaluators have difficulty distinguishing from articles written by humans. We discuss broader societal impacts of this finding and of GPT-3 in general.

Efficient molecular modeling and design are crucial for the discovery and exploration of novel molecules, and the incorporation of deep learning methods has revolutionized this field. In particular, large language models (LLMs) offer a fresh approach to tackle scientific problems from a natural language processing (NLP) perspective, introducing a research paradigm called scientific language modeling (SLM). However, two key issues remain: how to quantify the match between model and data modalities and how to identify the knowledge-learning preferences of models. To address these challenges, we propose a multi-modal benchmark, named ChEBI-20-MM, and perform 1263 experiments to assess the model's compatibility with data modalities and knowledge acquisition. Through the modal transition probability matrix, we provide insights into the most suitable modalities for tasks. Furthermore, we introduce a statistically interpretable approach to discover context-specific knowledge mapping by localized feature filtering. Our pioneering analysis offers an exploration of the learning mechanism and paves the way for advancing SLM in molecular science.

We present ACL OCL, a scholarly corpus derived from the ACL Anthology to assist Open scientific research in the Computational Linguistics domain. Integrating and enhancing the previous versions of the ACL Anthology, the ACL OCL contributes metadata, PDF files, citation graphs and additional structured full texts with sections, figures, and links to a large knowledge resource (Semantic Scholar). The ACL OCL spans seven decades, containing 73K papers, alongside 210K figures. We spotlight how ACL OCL applies to observe trends in computational linguistics. By detecting paper topics with a supervised neural model, we note that interest in "Syntax: Tagging, Chunking and Parsing" is waning and "Natural Language Generation" is resurging. Our dataset is available from HuggingFace (https://huggingface.co/datasets/WINGNUS/ACL-OCL).

We introduce Radiology-GPT, a large language model for radiology. Using an instruction tuning approach on an extensive dataset of radiology domain knowledge, Radiology-GPT demonstrates superior performance compared to general language models such as StableLM, Dolly and LLaMA. It exhibits significant versatility in radiological diagnosis, research, and communication. This work serves as a catalyst for future developments in clinical NLP. The successful implementation of Radiology-GPT is indicative of the potential of localizing generative large language models, specifically tailored for distinctive medical specialties, while ensuring adherence to privacy standards such as HIPAA. The prospect of developing individualized, large-scale language models that cater to specific needs of various hospitals presents a promising direction. The fusion of conversational competence and domain-specific knowledge in these models is set to foster future development in healthcare AI. A demo of Radiology-GPT is available at https://huggingface.co/spaces/allen-eric/radiology-gpt.

Many NLP researchers are experiencing an existential crisis triggered by the astonishing success of ChatGPT and other systems based on large language models (LLMs). After such a disruptive change to our understanding of the field, what is left to do? Taking a historical lens, we look for guidance from the first era of LLMs, which began in 2005 with large n-gram models for machine translation. We identify durable lessons from the first era, and more importantly, we identify evergreen problems where NLP researchers can continue to make meaningful contributions in areas where LLMs are ascendant. Among these lessons, we discuss the primacy of hardware advancement in shaping the availability and importance of scale, as well as the urgent challenge of quality evaluation, both automated and human. We argue that disparities in scale are transient and that researchers can work to reduce them; that data, rather than hardware, is still a bottleneck for many meaningful applications; that meaningful evaluation informed by actual use is still an open problem; and that there is still room for speculative approaches.

With the advent of Transformers, large language models (LLMs) have saturated well-known NLP benchmarks and leaderboards with high aggregate performance. However, many times these models systematically fail on tail data or rare groups not obvious in aggregate evaluation. Identifying such problematic data groups is even more challenging when there are no explicit labels (e.g., ethnicity, gender, etc.) and further compounded for NLP datasets due to the lack of visual features to characterize failure modes (e.g., Asian males, animals indoors, waterbirds on land, etc.). This paper introduces an interactive Systematic Error Analysis and Labeling (\seal) tool that uses a two-step approach to first identify high error slices of data and then, in the second step, introduce methods to give human-understandable semantics to those underperforming slices. We explore a variety of methods for coming up with coherent semantics for the error groups using language models for semantic labeling and a text-to-image model for generating visual features. SEAL toolkit and demo screencast is available at https://huggingface.co/spaces/nazneen/seal.

The rapid development of Large Language Models (LLMs) has substantially expanded the range of tasks they can address. In the field of Natural Language Processing (NLP), researchers have shifted their focus from conventional NLP tasks (e.g., sequence tagging and parsing) towards tasks that revolve around aligning with human needs (e.g., brainstorming and email writing). This shift in task distribution imposes new requirements on evaluating these aligned models regarding generality (i.e., assessing performance across diverse scenarios), flexibility (i.e., examining under different protocols), and interpretability (i.e., scrutinizing models with explanations). In this paper, we propose a generative judge with 13B parameters, Auto-J, designed to address these challenges. Our model is trained on user queries and LLM-generated responses under massive real-world scenarios and accommodates diverse evaluation protocols (e.g., pairwise response comparison and single-response evaluation) with well-structured natural language critiques. To demonstrate the efficacy of our approach, we construct a new testbed covering 58 different scenarios. Experimentally, Auto-J outperforms a series of strong competitors, including both open-source and closed-source models, by a large margin. We also provide detailed analysis and case studies to further reveal the potential of our method and make a variety of resources public at https://github.com/GAIR-NLP/auto-j.

The increasing adoption of natural language processing (NLP) models across industries has led to practitioners' need for machine learning systems to handle these models efficiently, from training to serving them in production. However, training, deploying, and updating multiple models can be complex, costly, and time-consuming, mainly when using transformer-based pre-trained language models. Multi-Task Learning (MTL) has emerged as a promising approach to improve efficiency and performance through joint training, rather than training separate models. Motivated by this, we first provide an overview of transformer-based MTL approaches in NLP. Then, we discuss the challenges and opportunities of using MTL approaches throughout typical ML lifecycle phases, specifically focusing on the challenges related to data engineering, model development, deployment, and monitoring phases. This survey focuses on transformer-based MTL architectures and, to the best of our knowledge, is novel in that it systematically analyses how transformer-based MTL in NLP fits into ML lifecycle phases. Furthermore, we motivate research on the connection between MTL and continual learning (CL), as this area remains unexplored. We believe it would be practical to have a model that can handle both MTL and CL, as this would make it easier to periodically re-train the model, update it due to distribution shifts, and add new capabilities to meet real-world requirements.

Recently, the emergence of pre-trained models (PTMs) has brought natural language processing (NLP) to a new era. In this survey, we provide a comprehensive review of PTMs for NLP. We first briefly introduce language representation learning and its research progress. Then we systematically categorize existing PTMs based on a taxonomy with four perspectives. Next, we describe how to adapt the knowledge of PTMs to the downstream tasks. Finally, we outline some potential directions of PTMs for future research. This survey is purposed to be a hands-on guide for understanding, using, and developing PTMs for various NLP tasks.

Data augmentation has recently seen increased interest in NLP due to more work in low-resource domains, new tasks, and the popularity of large-scale neural networks that require large amounts of training data. Despite this recent upsurge, this area is still relatively underexplored, perhaps due to the challenges posed by the discrete nature of language data. In this paper, we present a comprehensive and unifying survey of data augmentation for NLP by summarizing the literature in a structured manner. We first introduce and motivate data augmentation for NLP, and then discuss major methodologically representative approaches. Next, we highlight techniques that are used for popular NLP applications and tasks. We conclude by outlining current challenges and directions for future research. Overall, our paper aims to clarify the landscape of existing literature in data augmentation for NLP and motivate additional work in this area. We also present a GitHub repository with a paper list that will be continuously updated at https://github.com/styfeng/DataAug4NLP

This paper describes the results of SemEval 2023 task 7 -- Multi-Evidence Natural Language Inference for Clinical Trial Data (NLI4CT) -- consisting of 2 tasks, a Natural Language Inference (NLI) task, and an evidence selection task on clinical trial data. The proposed challenges require multi-hop biomedical and numerical reasoning, which are of significant importance to the development of systems capable of large-scale interpretation and retrieval of medical evidence, to provide personalized evidence-based care. Task 1, the entailment task, received 643 submissions from 40 participants, and Task 2, the evidence selection task, received 364 submissions from 23 participants. The tasks are challenging, with the majority of submitted systems failing to significantly outperform the majority class baseline on the entailment task, and we observe significantly better performance on the evidence selection task than on the entailment task. Increasing the number of model parameters leads to a direct increase in performance, far more significant than the effect of biomedical pre-training. Future works could explore the limitations of large models for generalization and numerical inference, and investigate methods to augment clinical datasets to allow for more rigorous testing and to facilitate fine-tuning. We envisage that the dataset, models, and results of this task will be useful to the biomedical NLI and evidence retrieval communities. The dataset, competition leaderboard, and website are publicly available.

Developing documentation guidelines and easy-to-use templates for datasets and models is a challenging task, especially given the variety of backgrounds, skills, and incentives of the people involved in the building of natural language processing (NLP) tools. Nevertheless, the adoption of standard documentation practices across the field of NLP promotes more accessible and detailed descriptions of NLP datasets and models, while supporting researchers and developers in reflecting on their work. To help with the standardization of documentation, we present two case studies of efforts that aim to develop reusable documentation templates -- the HuggingFace data card, a general purpose card for datasets in NLP, and the GEM benchmark data and model cards with a focus on natural language generation. We describe our process for developing these templates, including the identification of relevant stakeholder groups, the definition of a set of guiding principles, the use of existing templates as our foundation, and iterative revisions based on feedback.

The advent of natural language understanding (NLU) benchmarks for English, such as GLUE and SuperGLUE allows new NLU models to be evaluated across a diverse set of tasks. These comprehensive benchmarks have facilitated a broad range of research and applications in natural language processing (NLP). The problem, however, is that most such benchmarks are limited to English, which has made it difficult to replicate many of the successes in English NLU for other languages. To help remedy this issue, we introduce the first large-scale Chinese Language Understanding Evaluation (CLUE) benchmark. CLUE is an open-ended, community-driven project that brings together 9 tasks spanning several well-established single-sentence/sentence-pair classification tasks, as well as machine reading comprehension, all on original Chinese text. To establish results on these tasks, we report scores using an exhaustive set of current state-of-the-art pre-trained Chinese models (9 in total). We also introduce a number of supplementary datasets and additional tools to help facilitate further progress on Chinese NLU. Our benchmark is released at https://www.CLUEbenchmarks.com

Many recent improvements in NLP stem from the development and use of large pre-trained language models (PLMs) with billions of parameters. Large model sizes makes computational cost one of the main limiting factors for training and evaluating such models; and has raised severe concerns about the sustainability, reproducibility, and inclusiveness for researching PLMs. These concerns are often based on personal experiences and observations. However, there had not been any large-scale surveys that investigate them. In this work, we provide a first attempt to quantify these concerns regarding three topics, namely, environmental impact, equity, and impact on peer reviewing. By conducting a survey with 312 participants from the NLP community, we capture existing (dis)parities between different and within groups with respect to seniority, academia, and industry; and their impact on the peer reviewing process. For each topic, we provide an analysis and devise recommendations to mitigate found disparities, some of which already successfully implemented. Finally, we discuss additional concerns raised by many participants in free-text responses.

In this work, we aim to connect two research areas: instruction models and retrieval-based models. While instruction-tuned Large Language Models (LLMs) excel at extracting information from text, they are not suitable for semantic retrieval. Similarity search over embedding vectors allows to index and query vectors, but the similarity reflected in the embedding is sub-optimal for many use cases. We identify the task of retrieving sentences based on abstract descriptions of their content. We demonstrate the inadequacy of current text embeddings and propose an alternative model that significantly improves when used in standard nearest neighbor search. The model is trained using positive and negative pairs sourced through prompting an a large language model (LLM). While it is easy to source the training material from an LLM, the retrieval task cannot be performed by the LLM directly. This demonstrates that data from LLMs can be used not only for distilling more efficient specialized models than the original LLM, but also for creating new capabilities not immediately possible using the original model.

Language models are known to hallucinate incorrect information, and it is unclear if they are sufficiently accurate and reliable for use in scientific research. We developed a rigorous human-AI comparison methodology to evaluate language model agents on real-world literature search tasks covering information retrieval, summarization, and contradiction detection tasks. We show that PaperQA2, a frontier language model agent optimized for improved factuality, matches or exceeds subject matter expert performance on three realistic literature research tasks without any restrictions on humans (i.e., full access to internet, search tools, and time). PaperQA2 writes cited, Wikipedia-style summaries of scientific topics that are significantly more accurate than existing, human-written Wikipedia articles. We also introduce a hard benchmark for scientific literature research called LitQA2 that guided design of PaperQA2, leading to it exceeding human performance. Finally, we apply PaperQA2 to identify contradictions within the scientific literature, an important scientific task that is challenging for humans. PaperQA2 identifies 2.34 +/- 1.99 contradictions per paper in a random subset of biology papers, of which 70% are validated by human experts. These results demonstrate that language model agents are now capable of exceeding domain experts across meaningful tasks on scientific literature.

The ability of generative large language models (LLMs) to perform in-context learning has given rise to a large body of research into how best to prompt models for various natural language processing tasks. In this paper, we focus on machine translation (MT), a task that has been shown to benefit from in-context translation examples. However no systematic studies have been published on how best to select examples, and mixed results have been reported on the usefulness of similarity-based selection over random selection. We provide a study covering multiple LLMs and multiple in-context example retrieval strategies, comparing multilingual sentence embeddings. We cover several language directions, representing different levels of language resourcedness (English into French, German, Swahili and Wolof). Contrarily to previously published results, we find that sentence embedding similarity can improve MT, especially for low-resource language directions, and discuss the balance between selection pool diversity and quality. We also highlight potential problems with the evaluation of LLM-based MT and suggest a more appropriate evaluation protocol, adapting the COMET metric to the evaluation of LLMs. Code and outputs are freely available at https://github.com/ArmelRandy/ICL-MT.

Lexically constrained text generation is one of the constrained text generation tasks, which aims to generate text that covers all the given constraint lexicons. While the existing approaches tackle this problem using a lexically constrained beam search algorithm or dedicated model using non-autoregressive decoding, there is a trade-off between the generated text quality and the hard constraint satisfaction. We introduce AutoTemplate, a simple yet effective lexically constrained text generation framework divided into template generation and lexicalization tasks. The template generation is to generate the text with the placeholders, and lexicalization replaces them into the constraint lexicons to perform lexically constrained text generation. We conducted the experiments on two tasks: keywords-to-sentence generations and entity-guided summarization. Experimental results show that the AutoTemplate outperforms the competitive baselines on both tasks while satisfying the hard lexical constraints.

Large language models (LLMs) enable system builders today to create competent NLP systems through prompting, where they only need to describe the task in natural language and provide a few examples. However, in other ways, LLMs are a step backward from traditional special-purpose NLP models; they require extensive computational resources for deployment and can be gated behind APIs. In this paper, we propose Prompt2Model, a general-purpose method that takes a natural language task description like the prompts provided to LLMs, and uses it to train a special-purpose model that is conducive to deployment. This is done through a multi-step process of retrieval of existing datasets and pretrained models, dataset generation using LLMs, and supervised fine-tuning on these retrieved and generated datasets. Over three tasks, we demonstrate that given the same few-shot prompt as input, Prompt2Model trains models that outperform the results of a strong LLM, gpt-3.5-turbo, by an average of 20% while being up to 700 times smaller. We also show that this data can be used to obtain reliable performance estimates of model performance, enabling model developers to assess model reliability before deployment. Prompt2Model is available open-source at https://github.com/neulab/prompt2model.

Large language models (LLMs) have demonstrated remarkable capability to generate fluent responses to a wide variety of user queries, but this has also resulted in concerns regarding the potential misuse of such texts in journalism, educational, and academic context. In this work, we aim to develop automatic systems to identify machine-generated text and to detect potential misuse. We first introduce a large-scale benchmark M4, which is multi-generator, multi-domain, and multi-lingual corpus for machine-generated text detection. Using the dataset, we experiment with a number of methods and we show that it is challenging for detectors to generalize well on unseen examples if they are either from different domains or are generated by different large language models. In such cases, detectors tend to misclassify machine-generated text as human-written. These results show that the problem is far from solved and there is a lot of room for improvement. We believe that our dataset M4, which covers different generators, domains and languages, will enable future research towards more robust approaches for this pressing societal problem. The M4 dataset is available at https://github.com/mbzuai-nlp/M4.

Textual domain is a crucial property within the Natural Language Processing (NLP) community due to its effects on downstream model performance. The concept itself is, however, loosely defined and, in practice, refers to any non-typological property, such as genre, topic, medium or style of a document. We investigate the core notion of domains via human proficiency in identifying related intrinsic textual properties, specifically the concepts of genre (communicative purpose) and topic (subject matter). We publish our annotations in *TGeGUM*: A collection of 9.1k sentences from the GUM dataset (Zeldes, 2017) with single sentence and larger context (i.e., prose) annotations for one of 11 genres (source type), and its topic/subtopic as per the Dewey Decimal library classification system (Dewey, 1979), consisting of 10/100 hierarchical topics of increased granularity. Each instance is annotated by three annotators, for a total of 32.7k annotations, allowing us to examine the level of human disagreement and the relative difficulty of each annotation task. With a Fleiss' kappa of at most 0.53 on the sentence level and 0.66 at the prose level, it is evident that despite the ubiquity of domains in NLP, there is little human consensus on how to define them. By training classifiers to perform the same task, we find that this uncertainty also extends to NLP models.

We continue the investigation into the power of smaller Transformer-based language models as initiated by TinyStories -- a 10 million parameter model that can produce coherent English -- and the follow-up work on phi-1, a 1.3 billion parameter model with Python coding performance close to the state-of-the-art. The latter work proposed to use existing Large Language Models (LLMs) to generate ``textbook quality" data as a way to enhance the learning process compared to traditional web data. We follow the ``Textbooks Are All You Need" approach, focusing this time on common sense reasoning in natural language, and create a new 1.3 billion parameter model named phi-1.5, with performance on natural language tasks comparable to models 5x larger, and surpassing most non-frontier LLMs on more complex reasoning tasks such as grade-school mathematics and basic coding. More generally, phi-1.5 exhibits many of the traits of much larger LLMs, both good -- such as the ability to ``think step by step" or perform some rudimentary in-context learning -- and bad, including hallucinations and the potential for toxic and biased generations -- encouragingly though, we are seeing improvement on that front thanks to the absence of web data. We open-source phi-1.5 to promote further research on these urgent topics.

Large Vision-Language Models (LVLMs) have become pivotal at the intersection of computer vision and natural language processing. However, the full potential of LVLMs Retrieval-Augmented Generation (RAG) capabilities remains underutilized. Existing works either focus solely on the text modality or are limited to specific tasks. Moreover, most LVLMs struggle to selectively utilize retrieved information and are sensitive to irrelevant or misleading references. To address these challenges, we propose a self-refinement framework designed to teach LVLMs to Selectively Utilize Retrieved Information (SURf). Specifically, when given questions that are incorrectly answered by the LVLM backbone, we obtain references that help correct the answers (positive references) and those that do not (negative references). We then fine-tune the LVLM backbone using a combination of these positive and negative references. Our experiments across three tasks and seven datasets demonstrate that our framework significantly enhances LVLMs ability to effectively utilize retrieved multimodal references and improves their robustness against irrelevant or misleading information. The source code is available at https://github.com/GasolSun36/SURf.

Transformer-based Large Language Models (LLMs) have become a fixture in modern machine learning. Correspondingly, significant resources are allocated towards research that aims to further advance this technology, typically resulting in models of increasing size that are trained on increasing amounts of data. This work, however, demonstrates the surprising result that it is often possible to significantly improve the performance of LLMs by selectively removing higher-order components of their weight matrices. This simple intervention, which we call LAyer-SElective Rank reduction (LASER), can be done on a model after training has completed, and requires no additional parameters or data. We show extensive experiments demonstrating the generality of this finding across language models and datasets, and provide in-depth analyses offering insights into both when LASER is effective and the mechanism by which it operates.

Lately, propelled by the phenomenal advances around the transformer architecture, the legal NLP field has enjoyed spectacular growth. To measure progress, well curated and challenging benchmarks are crucial. However, most benchmarks are English only and in legal NLP specifically there is no multilingual benchmark available yet. Additionally, many benchmarks are saturated, with the best models clearly outperforming the best humans and achieving near perfect scores. We survey the legal NLP literature and select 11 datasets covering 24 languages, creating LEXTREME. To provide a fair comparison, we propose two aggregate scores, one based on the datasets and one on the languages. The best baseline (XLM-R large) achieves both a dataset aggregate score a language aggregate score of 61.3. This indicates that LEXTREME is still very challenging and leaves ample room for improvement. To make it easy for researchers and practitioners to use, we release LEXTREME on huggingface together with all the code required to evaluate models and a public Weights and Biases project with all the runs.

We introduce Latent Meaning Cells, a deep latent variable model which learns contextualized representations of words by combining local lexical context and metadata. Metadata can refer to granular context, such as section type, or to more global context, such as unique document ids. Reliance on metadata for contextualized representation learning is apropos in the clinical domain where text is semi-structured and expresses high variation in topics. We evaluate the LMC model on the task of zero-shot clinical acronym expansion across three datasets. The LMC significantly outperforms a diverse set of baselines at a fraction of the pre-training cost and learns clinically coherent representations. We demonstrate that not only is metadata itself very helpful for the task, but that the LMC inference algorithm provides an additional large benefit.

Large language models often struggle with zero-shot generalization, and several modular approaches have been proposed to address this challenge. Yet, we hypothesize that a key limitation remains: the entanglement of general knowledge and task-specific adaptations. To overcome this, we propose a modular framework that disentangles these components by constructing a library of task-specific LoRA modules alongside a general-domain LoRA. By subtracting this general knowledge component from each task-specific module, we obtain residual modules that focus more exclusively on task-relevant information, a method we call general knowledge subtraction (GenKnowSub). Leveraging the refined task-specific modules and the Arrow routing algorithm ostapenko2024towards, we dynamically select and combine modules for new inputs without additional training. Our studies on the Phi-3 model and standard Arrow as baselines reveal that using general knowledge LoRAs derived from diverse languages, including English, French, and German, yields consistent performance gains in both monolingual and cross-lingual settings across a wide set of benchmarks. Further experiments on Phi-2 demonstrate how GenKnowSub generalizes to weaker LLMs. The complete code and data are available at https://github.com/saharsamr/Modular-LLM.

In-context learning, where pre-trained language models learn to perform tasks from task examples and instructions in their contexts, has attracted much attention in the NLP community. However, the ability of in-context learning is not fully exploited because language models are not explicitly trained to learn in context. To this end, we propose PICL (Pre-training for In-Context Learning), a framework to enhance the language models' in-context learning ability by pre-training the model on a large collection of "intrinsic tasks" in the general plain-text corpus using the simple language modeling objective. PICL encourages the model to infer and perform tasks by conditioning on the contexts while maintaining task generalization of pre-trained models. We evaluate the in-context learning performance of the model trained with PICL on seven widely-used text classification datasets and the Super-NaturalInstrctions benchmark, which contains 100+ NLP tasks formulated to text generation. Our experiments show that PICL is more effective and task-generalizable than a range of baselines, outperforming larger language models with nearly 4x parameters. The code is publicly available at https://github.com/thu-coai/PICL.

Advancements in Large Language Models (LLMs) drive interest in scientific applications, necessitating specialized benchmarks such as Earth science. Existing benchmarks either present a general science focus devoid of Earth science specificity or cover isolated subdomains, lacking holistic evaluation. Furthermore, current benchmarks typically neglect the assessment of LLMs' capabilities in open-ended scientific exploration. In this paper, we present a comprehensive and professional benchmark for the Earth sciences, designed to evaluate the capabilities of LLMs in scientific exploration within this domain, spanning from fundamental to advanced levels. Leveraging a corpus of 100,000 research papers, we first construct two Question Answering (QA) datasets: Earth-Iron, which offers extensive question coverage for broad assessment, and Earth-Silver, which features a higher level of difficulty to evaluate professional depth. These datasets encompass five Earth spheres, 114 disciplines, and 11 task categories, assessing foundational knowledge crucial for scientific exploration. Most notably, we introduce Earth-Gold with new metrics, a dataset comprising open-ended multi-turn dialogues specifically designed to evaluate the advanced capabilities of LLMs in scientific exploration, including methodology induction, limitation analysis, and concept proposal. Extensive experiments reveal limitations in 11 leading LLMs across different domains and tasks, highlighting considerable room for improvement in their scientific exploration capabilities. The benchmark is available on https://huggingface.co/ai-earth .

Recent advancements in specialized large-scale architectures for training image and language have profoundly impacted the field of computer vision and natural language processing (NLP). Language models, such as the recent ChatGPT and GPT4 have demonstrated exceptional capabilities in processing, translating, and generating human languages. These breakthroughs have also been reflected in protein research, leading to the rapid development of numerous new methods in a short time, with unprecedented performance. Language models, in particular, have seen widespread use in protein research, as they have been utilized to embed proteins, generate novel ones, and predict tertiary structures. In this book chapter, we provide an overview of the use of protein generative models, reviewing 1) language models for the design of novel artificial proteins, 2) works that use non-Transformer architectures, and 3) applications in directed evolution approaches.

Introduction: The scientific publishing landscape is expanding rapidly, creating challenges for researchers to stay up-to-date with the evolution of the literature. Natural Language Processing (NLP) has emerged as a potent approach to automating knowledge extraction from this vast amount of publications and preprints. Tasks such as Named-Entity Recognition (NER) and Named-Entity Linking (NEL), in conjunction with context-dependent semantic interpretation, offer promising and complementary approaches to extracting structured information and revealing key concepts. Results: We present the SourceData-NLP dataset produced through the routine curation of papers during the publication process. A unique feature of this dataset is its emphasis on the annotation of bioentities in figure legends. We annotate eight classes of biomedical entities (small molecules, gene products, subcellular components, cell lines, cell types, tissues, organisms, and diseases), their role in the experimental design, and the nature of the experimental method as an additional class. SourceData-NLP contains more than 620,000 annotated biomedical entities, curated from 18,689 figures in 3,223 papers in molecular and cell biology. We illustrate the dataset's usefulness by assessing BioLinkBERT and PubmedBERT, two transformers-based models, fine-tuned on the SourceData-NLP dataset for NER. We also introduce a novel context-dependent semantic task that infers whether an entity is the target of a controlled intervention or the object of measurement. Conclusions: SourceData-NLP's scale highlights the value of integrating curation into publishing. Models trained with SourceData-NLP will furthermore enable the development of tools able to extract causal hypotheses from the literature and assemble them into knowledge graphs.

The field of natural language processing (NLP) has recently witnessed a transformative shift with the emergence of foundation models, particularly Large Language Models (LLMs) that have revolutionized text-based NLP. This paradigm has extended to other modalities, including speech, where researchers are actively exploring the combination of Speech Foundation Models (SFMs) and LLMs into single, unified models capable of addressing multimodal tasks. Among such tasks, this paper focuses on speech-to-text translation (ST). By examining the published papers on the topic, we propose a unified view of the architectural solutions and training strategies presented so far, highlighting similarities and differences among them. Based on this examination, we not only organize the lessons learned but also show how diverse settings and evaluation approaches hinder the identification of the best-performing solution for each architectural building block and training choice. Lastly, we outline recommendations for future works on the topic aimed at better understanding the strengths and weaknesses of the SFM+LLM solutions for ST.

How can a robot efficiently extract a desired object from a shelf when it is fully occluded by other objects? Prior works propose geometric approaches for this problem but do not consider object semantics. Shelves in pharmacies, restaurant kitchens, and grocery stores are often organized such that semantically similar objects are placed close to one another. Can large language models (LLMs) serve as semantic knowledge sources to accelerate robotic mechanical search in semantically arranged environments? With Semantic Spatial Search on Shelves (S^4), we use LLMs to generate affinity matrices, where entries correspond to semantic likelihood of physical proximity between objects. We derive semantic spatial distributions by synthesizing semantics with learned geometric constraints. S^4 incorporates Optical Character Recognition (OCR) and semantic refinement with predictions from ViLD, an open-vocabulary object detection model. Simulation experiments suggest that semantic spatial search reduces the search time relative to pure spatial search by an average of 24% across three domains: pharmacy, kitchen, and office shelves. A manually collected dataset of 100 semantic scenes suggests that OCR and semantic refinement improve object detection accuracy by 35%. Lastly, physical experiments in a pharmacy shelf suggest 47.1% improvement over pure spatial search. Supplementary material can be found at https://sites.google.com/view/s4-rss/home.

Statements involving metalinguistic self-reference ("This paper has six sections.") are prevalent in many domains. Can large language models (LLMs) handle such language? In this paper, we present "I am a Strange Dataset", a new dataset for addressing this question. There are two subtasks: generation and verification. In generation, models continue statements like "The penultimate word in this sentence is" (where a correct continuation is "is"). In verification, models judge the truth of statements like "The penultimate word in this sentence is sentence." (false). We also provide minimally different metalinguistic non-self-reference examples to complement the main dataset by probing for whether models can handle metalinguistic language at all. The dataset is hand-crafted by experts and validated by non-expert annotators. We test a variety of open-source LLMs (7B to 70B parameters) as well as closed-source LLMs through APIs. All models perform close to chance across both subtasks and even on the non-self-referential metalinguistic control data, though we find some steady improvement with model scale. GPT 4 is the only model to consistently do significantly better than chance, and it is still only in the 60% range, while our untrained human annotators score well in the 89-93% range. The dataset and evaluation toolkit are available at https://github.com/TristanThrush/i-am-a-strange-dataset.

What are the units of text that we want to model? From bytes to multi-word expressions, text can be analyzed and generated at many granularities. Until recently, most natural language processing (NLP) models operated over words, treating those as discrete and atomic tokens, but starting with byte-pair encoding (BPE), subword-based approaches have become dominant in many areas, enabling small vocabularies while still allowing for fast inference. Is the end of the road character-level model or byte-level processing? In this survey, we connect several lines of work from the pre-neural and neural era, by showing how hybrid approaches of words and characters as well as subword-based approaches based on learned segmentation have been proposed and evaluated. We conclude that there is and likely will never be a silver bullet singular solution for all applications and that thinking seriously about tokenization remains important for many applications.

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

Language technologies contribute to promoting multilingualism and linguistic diversity around the world. However, only a very small number of the over 7000 languages of the world are represented in the rapidly evolving language technologies and applications. In this paper we look at the relation between the types of languages, resources, and their representation in NLP conferences to understand the trajectory that different languages have followed over time. Our quantitative investigation underlines the disparity between languages, especially in terms of their resources, and calls into question the "language agnostic" status of current models and systems. Through this paper, we attempt to convince the ACL community to prioritise the resolution of the predicaments highlighted here, so that no language is left behind.

Domain-specific neural machine translation (NMT) systems (e.g., in educational applications) are socially significant with the potential to help make information accessible to a diverse set of users in multilingual societies. It is desirable that such NMT systems be lexically constrained and draw from domain-specific dictionaries. Dictionaries could present multiple candidate translations for a source word/phrase due to the polysemous nature of words. The onus is then on the NMT model to choose the contextually most appropriate candidate. Prior work has largely ignored this problem and focused on the single candidate constraint setting wherein the target word or phrase is replaced by a single constraint. In this work we present DictDis, a lexically constrained NMT system that disambiguates between multiple candidate translations derived from dictionaries. We achieve this by augmenting training data with multiple dictionary candidates to actively encourage disambiguation during training by implicitly aligning multiple candidate constraints. We demonstrate the utility of DictDis via extensive experiments on English-Hindi and English-German sentences in a variety of domains including regulatory, finance, engineering. We also present comparisons on standard benchmark test datasets. In comparison with existing approaches for lexically constrained and unconstrained NMT, we demonstrate superior performance with respect to constraint copy and disambiguation related measures on all domains while also obtaining improved fluency of up to 2-3 BLEU points on some domains.

In this paper, we introduce HugNLP, a unified and comprehensive library for natural language processing (NLP) with the prevalent backend of HuggingFace Transformers, which is designed for NLP researchers to easily utilize off-the-shelf algorithms and develop novel methods with user-defined models and tasks in real-world scenarios. HugNLP consists of a hierarchical structure including models, processors and applications that unifies the learning process of pre-trained language models (PLMs) on different NLP tasks. Additionally, we present some featured NLP applications to show the effectiveness of HugNLP, such as knowledge-enhanced PLMs, universal information extraction, low-resource mining, and code understanding and generation, etc. The source code will be released on GitHub (https://github.com/wjn1996/HugNLP).

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the scientific discovery process. Nevertheless, previous surveys on scientific LLMs often concentrate on one or two fields or a single modality. In this paper, we aim to provide a more holistic view of the research landscape by unveiling cross-field and cross-modal connections between scientific LLMs regarding their architectures and pre-training techniques. To this end, we comprehensively survey over 260 scientific LLMs, discuss their commonalities and differences, as well as summarize pre-training datasets and evaluation tasks for each field and modality. Moreover, we investigate how LLMs have been deployed to benefit scientific discovery. Resources related to this survey are available at https://github.com/yuzhimanhua/Awesome-Scientific-Language-Models.

Over the past few years, various domain-specific pretrained language models (PLMs) have been proposed and have outperformed general-domain PLMs in specialized areas such as biomedical, scientific, and clinical domains. In addition, financial PLMs have been studied because of the high economic impact of financial data analysis. However, we found that financial PLMs were not pretrained on sufficiently diverse financial data. This lack of diverse training data leads to a subpar generalization performance, resulting in general-purpose PLMs, including BERT, often outperforming financial PLMs on many downstream tasks. To address this issue, we collected a broad range of financial corpus and trained the Financial Language Model (FiLM) on these diverse datasets. Our experimental results confirm that FiLM outperforms not only existing financial PLMs but also general domain PLMs. Furthermore, we provide empirical evidence that this improvement can be achieved even for unseen corpus groups.

We explore how continued pre-training on domain-specific corpora influences large language models, revealing that training on the raw corpora endows the model with domain knowledge, but drastically hurts its prompting ability for question answering. Taken inspiration from human learning via reading comprehension--practice after reading improves the ability to answer questions based on the learned knowledge--we propose a simple method for transforming raw corpora into reading comprehension texts. Each raw text is enriched with a series of tasks related to its content. Our method, highly scalable and applicable to any pre-training corpora, consistently enhances performance across various tasks in three different domains: biomedicine, finance, and law. Notably, our 7B language model achieves competitive performance with domain-specific models of much larger scales, such as BloombergGPT-50B. Furthermore, we demonstrate that domain-specific reading comprehension texts can improve the model's performance even on general benchmarks, showing the potential to develop a general model across even more domains. Our model, code, and data will be available at https://github.com/microsoft/LMOps.

Recent studies highlight the potential of large language models in creating educational tools for children, yet significant challenges remain in maintaining key child-specific properties such as linguistic nuances, cognitive needs, and safety standards. In this paper, we explore foundational steps toward the development of child-specific language models, emphasizing the necessity of high-quality pre-training data. We introduce a novel user-centric data collection pipeline that involves gathering and validating a corpus specifically written for and sometimes by children. Additionally, we propose a new training objective, Stratified Masking, which dynamically adjusts masking probabilities based on our domain-specific child language data, enabling models to prioritize vocabulary and concepts more suitable for children. Experimental evaluations demonstrate that our model excels in understanding lower grade-level text, maintains safety by avoiding stereotypes, and captures children's unique preferences. Furthermore, we provide actionable insights for future research and development in child-specific language modeling.

Despite recent advances in large language models, building dependable and deployable NLP models typically requires abundant, high-quality training data. However, task-specific data is not available for many use cases, and manually curating task-specific data is labor-intensive. Recent work has studied prompt-driven synthetic data generation using large language models, but these generated datasets tend to lack complexity and diversity. To address these limitations, we introduce a method, DataTune, to make better use of existing, publicly available datasets to improve automatic dataset generation. DataTune performs dataset transformation, enabling the repurposing of publicly available datasets into a format that is directly aligned with the specific requirements of target tasks. On a diverse set of language-based tasks from the BIG-Bench benchmark, we find that finetuning language models via DataTune improves over a few-shot prompting baseline by 49\% and improves over existing methods that use synthetic or retrieved training data by 34\%. We find that dataset transformation significantly increases the diversity and difficulty of generated data on many tasks. We integrate DataTune into an open-source repository to make this method accessible to the community: https://github.com/neulab/prompt2model.

Current pre-trained language models rely on large datasets for achieving state-of-the-art performance. However, past research has shown that not all examples in a dataset are equally important during training. In fact, it is sometimes possible to prune a considerable fraction of the training set while maintaining the test performance. Established on standard vision benchmarks, two gradient-based scoring metrics for finding important examples are GraNd and its estimated version, EL2N. In this work, we employ these two metrics for the first time in NLP. We demonstrate that these metrics need to be computed after at least one epoch of fine-tuning and they are not reliable in early steps. Furthermore, we show that by pruning a small portion of the examples with the highest GraNd/EL2N scores, we can not only preserve the test accuracy, but also surpass it. This paper details adjustments and implementation choices which enable GraNd and EL2N to be applied to NLP.

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Evaluating Retrieval-Augmented Generation (RAG) in large language models (LLMs) is challenging because benchmarks can quickly become stale. Questions initially requiring retrieval may become answerable from pretraining knowledge as newer models incorporate more recent information during pretraining, making it difficult to distinguish evidence-based reasoning from recall. We introduce NeoQA (News Events for Out-of-training Question Answering), a benchmark designed to address this issue. To construct NeoQA, we generated timelines and knowledge bases of fictional news events and entities along with news articles and Q\&A pairs to prevent LLMs from leveraging pretraining knowledge, ensuring that no prior evidence exists in their training data. We propose our dataset as a new platform for evaluating evidence-based question answering, as it requires LLMs to generate responses exclusively from retrieved evidence and only when sufficient evidence is available. NeoQA enables controlled evaluation across various evidence scenarios, including cases with missing or misleading details. Our findings indicate that LLMs struggle to distinguish subtle mismatches between questions and evidence, and suffer from short-cut reasoning when key information required to answer a question is missing from the evidence, underscoring key limitations in evidence-based reasoning.