Daily Papers

Reducing methane emissions is essential for mitigating global warming. To attribute methane emissions to their sources, a comprehensive dataset of methane source infrastructure is necessary. Recent advancements with deep learning on remotely sensed imagery have the potential to identify the locations and characteristics of methane sources, but there is a substantial lack of publicly available data to enable machine learning researchers and practitioners to build automated mapping approaches. To help fill this gap, we construct a multi-sensor dataset called METER-ML containing 86,599 georeferenced NAIP, Sentinel-1, and Sentinel-2 images in the U.S. labeled for the presence or absence of methane source facilities including concentrated animal feeding operations, coal mines, landfills, natural gas processing plants, oil refineries and petroleum terminals, and wastewater treatment plants. We experiment with a variety of models that leverage different spatial resolutions, spatial footprints, image products, and spectral bands. We find that our best model achieves an area under the precision recall curve of 0.915 for identifying concentrated animal feeding operations and 0.821 for oil refineries and petroleum terminals on an expert-labeled test set, suggesting the potential for large-scale mapping. We make METER-ML freely available at https://stanfordmlgroup.github.io/projects/meter-ml/ to support future work on automated methane source mapping.

Recognizing a piece of writing as a poem or prose is usually easy for the majority of people; however, only specialists can determine which meter a poem belongs to. In this paper, we build Recurrent Neural Network (RNN) models that can classify poems according to their meters from plain text. The input text is encoded at the character level and directly fed to the models without feature handcrafting. This is a step forward for machine understanding and synthesis of languages in general, and Arabic language in particular. Among the 16 poem meters of Arabic and the 4 meters of English the networks were able to correctly classify poem with an overall accuracy of 96.38\% and 82.31\% respectively. The poem datasets used to conduct this research were massive, over 1.5 million of verses, and were crawled from different nontechnical sources, almost Arabic and English literature sites, and in different heterogeneous and unstructured formats. These datasets are now made publicly available in clean, structured, and documented format for other future research. To the best of the authors' knowledge, this research is the first to address classifying poem meters in a machine learning approach, in general, and in RNN featureless based approach, in particular. In addition, the dataset is the first publicly available dataset ready for the purpose of future computational research.

Graphic designs are an effective medium for visual communication. They range from greeting cards to corporate flyers and beyond. Off-late, machine learning techniques are able to generate such designs, which accelerates the rate of content production. An automated way of evaluating their quality becomes critical. Towards this end, we introduce Design-o-meter, a data-driven methodology to quantify the goodness of graphic designs. Further, our approach can suggest modifications to these designs to improve its visual appeal. To the best of our knowledge, Design-o-meter is the first approach that scores and refines designs in a unified framework despite the inherent subjectivity and ambiguity of the setting. Our exhaustive quantitative and qualitative analysis of our approach against baselines adapted for the task (including recent Multimodal LLM-based approaches) brings out the efficacy of our methodology. We hope our work will usher more interest in this important and pragmatic problem setting.

Sagnac Speed Meter and ring resonators can be used as high precision instruments, but they are limited in their sensitivity through scattered light causing non-linear noise. Here, we experimentally demonstrate a technique called Tunable Coherence, where the long coherence length of the laser is broken in a controlled way, to suppress the coupling of scattered light in a Sagnac interferometer. We demonstrate a scattered light suppression of 24.2 dB in a Sagnac interferometer and discuss the experimental limitations. Further, we show an analytical discussion on how Tunable Coherence could be a fundamental solution to light scattering back from optical surfaces into the counter propagating beam, which is an issue particularly in ring resonators.

Deepfakes, as AI-generated media, have increasingly threatened media integrity and personal privacy with realistic yet fake digital content. In this work, we introduce an open-source and user-friendly online platform, DeepFake-O-Meter v2.0, that integrates state-of-the-art methods for detecting Deepfake images, videos, and audio. Built upon DeepFake-O-Meter v1.0, we have made significant upgrades and improvements in platform architecture design, including user interaction, detector integration, job balancing, and security management. The platform aims to offer everyday users a convenient service for analyzing DeepFake media using multiple state-of-the-art detection algorithms. It ensures secure and private delivery of the analysis results. Furthermore, it serves as an evaluation and benchmarking platform for researchers in digital media forensics to compare the performance of multiple algorithms on the same input. We have also conducted detailed usage analysis based on the collected data to gain deeper insights into our platform's statistics. This involves analyzing two-month trends in user activity and evaluating the processing efficiency of each detector.

Heat pumps are essential for decarbonizing residential heating but consume substantial electrical energy, impacting operational costs and grid demand. Many systems run inefficiently due to planning flaws, operational faults, or misconfigurations. While optimizing performance requires skilled professionals, labor shortages hinder large-scale interventions. However, digital tools and improved data availability create new service opportunities for energy efficiency, predictive maintenance, and demand-side management. To support research and practical solutions, we present an open-source dataset of electricity consumption from 1,408 households with heat pumps and smart electricity meters in the canton of Zurich, Switzerland, recorded at 15-minute and daily resolutions between 2018-11-03 and 2024-03-21. The dataset includes household metadata, weather data from 8 stations, and ground truth data from 410 field visit protocols collected by energy consultants during system optimizations. Additionally, the dataset includes a Python-based data loader to facilitate seamless data processing and exploration.

The online estimation of rhythmic information, such as beat positions, downbeat positions, and meter, is critical for many real-time music applications. Musical rhythm comprises complex hierarchical relationships across time, rendering its analysis intrinsically challenging and at times subjective. Furthermore, systems which attempt to estimate rhythmic information in real-time must be causal and must produce estimates quickly and efficiently. In this work, we introduce an online system for joint beat, downbeat, and meter tracking, which utilizes causal convolutional and recurrent layers, followed by a pair of sequential Monte Carlo particle filters applied during inference. The proposed system does not need to be primed with a time signature in order to perform downbeat tracking, and is instead able to estimate meter and adjust the predictions over time. Additionally, we propose an information gate strategy to significantly decrease the computational cost of particle filtering during the inference step, making the system much faster than previous sampling-based methods. Experiments on the GTZAN dataset, which is unseen during training, show that the system outperforms various online beat and downbeat tracking systems and achieves comparable performance to a baseline offline joint method.

The rapid development of large language and vision models (LLVMs) has been driven by advances in visual instruction tuning. Recently, open-source LLVMs have curated high-quality visual instruction tuning datasets and utilized additional vision encoders or multiple computer vision models in order to narrow the performance gap with powerful closed-source LLVMs. These advancements are attributed to multifaceted information required for diverse capabilities, including fundamental image understanding, real-world knowledge about common-sense and non-object concepts (e.g., charts, diagrams, symbols, signs, and math problems), and step-by-step procedures for solving complex questions. Drawing from the multifaceted information, we present a new efficient LLVM, Mamba-based traversal of rationales (Meteor), which leverages multifaceted rationale to enhance understanding and answering capabilities. To embed lengthy rationales containing abundant information, we employ the Mamba architecture, capable of processing sequential data with linear time complexity. We introduce a new concept of traversal of rationale that facilitates efficient embedding of rationale. Subsequently, the backbone multimodal language model (MLM) is trained to generate answers with the aid of rationale. Through these steps, Meteor achieves significant improvements in vision language performances across multiple evaluation benchmarks requiring diverse capabilities, without scaling up the model size or employing additional vision encoders and computer vision models.

We present Material Anything, a fully-automated, unified diffusion framework designed to generate physically-based materials for 3D objects. Unlike existing methods that rely on complex pipelines or case-specific optimizations, Material Anything offers a robust, end-to-end solution adaptable to objects under diverse lighting conditions. Our approach leverages a pre-trained image diffusion model, enhanced with a triple-head architecture and rendering loss to improve stability and material quality. Additionally, we introduce confidence masks as a dynamic switcher within the diffusion model, enabling it to effectively handle both textured and texture-less objects across varying lighting conditions. By employing a progressive material generation strategy guided by these confidence masks, along with a UV-space material refiner, our method ensures consistent, UV-ready material outputs. Extensive experiments demonstrate our approach outperforms existing methods across a wide range of object categories and lighting conditions.

Material reconstruction from a photograph is a key component of 3D content creation democratization. We propose to formulate this ill-posed problem as a controlled synthesis one, leveraging the recent progress in generative deep networks. We present ControlMat, a method which, given a single photograph with uncontrolled illumination as input, conditions a diffusion model to generate plausible, tileable, high-resolution physically-based digital materials. We carefully analyze the behavior of diffusion models for multi-channel outputs, adapt the sampling process to fuse multi-scale information and introduce rolled diffusion to enable both tileability and patched diffusion for high-resolution outputs. Our generative approach further permits exploration of a variety of materials which could correspond to the input image, mitigating the unknown lighting conditions. We show that our approach outperforms recent inference and latent-space-optimization methods, and carefully validate our diffusion process design choices. Supplemental materials and additional details are available at: https://gvecchio.com/controlmat/.

Recent works in inverse rendering have shown promise in using multi-view images of an object to recover shape, albedo, and materials. However, the recovered components often fail to render accurately under new lighting conditions due to the intrinsic challenge of disentangling albedo and material properties from input images. To address this challenge, we introduce MaterialFusion, an enhanced conventional 3D inverse rendering pipeline that incorporates a 2D prior on texture and material properties. We present StableMaterial, a 2D diffusion model prior that refines multi-lit data to estimate the most likely albedo and material from given input appearances. This model is trained on albedo, material, and relit image data derived from a curated dataset of approximately ~12K artist-designed synthetic Blender objects called BlenderVault. we incorporate this diffusion prior with an inverse rendering framework where we use score distillation sampling (SDS) to guide the optimization of the albedo and materials, improving relighting performance in comparison with previous work. We validate MaterialFusion's relighting performance on 4 datasets of synthetic and real objects under diverse illumination conditions, showing our diffusion-aided approach significantly improves the appearance of reconstructed objects under novel lighting conditions. We intend to publicly release our BlenderVault dataset to support further research in this field.

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.

Improvements in diffusion models have boosted the quality of image generation, which has led researchers, companies, and creators to focus on improving watermarking algorithms. This provision would make it possible to clearly identify the creators of generative art. The main challenges that modern watermarking algorithms face have to do with their ability to withstand attacks and encrypt many unique messages, such as user IDs. In this paper, we present METR: Message Enhanced Tree-Ring, which is an approach that aims to address these challenges. METR is built on the Tree-Ring watermarking algorithm, a technique that makes it possible to encode multiple distinct messages without compromising attack resilience or image quality. This ensures the suitability of this watermarking algorithm for any Diffusion Model. In order to surpass the limitations on the quantity of encoded messages, we propose METR++, an enhanced version of METR. This approach, while limited to the Latent Diffusion Model architecture, is designed to inject a virtually unlimited number of unique messages. We demonstrate its robustness to attacks and ability to encrypt many unique messages while preserving image quality, which makes METR and METR++ hold great potential for practical applications in real-world settings. Our code is available at https://github.com/deepvk/metr

Reconstructing accurate 3D scenes from images is a long-standing vision task. Due to the ill-posedness of the single-image reconstruction problem, most well-established methods are built upon multi-view geometry. State-of-the-art (SOTA) monocular metric depth estimation methods can only handle a single camera model and are unable to perform mixed-data training due to the metric ambiguity. Meanwhile, SOTA monocular methods trained on large mixed datasets achieve zero-shot generalization by learning affine-invariant depths, which cannot recover real-world metrics. In this work, we show that the key to a zero-shot single-view metric depth model lies in the combination of large-scale data training and resolving the metric ambiguity from various camera models. We propose a canonical camera space transformation module, which explicitly addresses the ambiguity problems and can be effortlessly plugged into existing monocular models. Equipped with our module, monocular models can be stably trained with over 8 million images with thousands of camera models, resulting in zero-shot generalization to in-the-wild images with unseen camera settings. Experiments demonstrate SOTA performance of our method on 7 zero-shot benchmarks. Notably, our method won the championship in the 2nd Monocular Depth Estimation Challenge. Our method enables the accurate recovery of metric 3D structures on randomly collected internet images, paving the way for plausible single-image metrology. The potential benefits extend to downstream tasks, which can be significantly improved by simply plugging in our model. For example, our model relieves the scale drift issues of monocular-SLAM (Fig. 1), leading to high-quality metric scale dense mapping. The code is available at https://github.com/YvanYin/Metric3D.

The pretrain+fine-tune paradigm is foundational in deploying large language models (LLMs) across a diverse range of downstream applications. Among these, Low-Rank Adaptation (LoRA) stands out for its parameter-efficient fine-tuning (PEFT), producing numerous off-the-shelf task-specific LoRA adapters. However, this approach requires explicit task intention selection, posing challenges for automatic task sensing and switching during inference with multiple existing LoRA adapters embedded in a single LLM. In this work, we introduce MeteoRA (Multiple-Tasks embedded LoRA), a scalable multi-knowledge LoRA fusion framework designed for LLMs. MeteoRA integrates various LoRA adapters in a Mixture-of-Experts (MoE) style into the base LLM, enabling the model to automatically select the most pertinent adapter based on the task input. This advancement significantly enhances the LLM's capability to handle composite tasks that require different adapters to solve various components of the problem. Our evaluations, featuring the LlaMA2-13B and LlaMA3-8B base models equipped with off-the-shelf 28 LoRA adapters through MeteoRA, demonstrate equivalent performance with the individual adapters. Furthermore, both base models equipped with MeteoRA achieve superior performance in sequentially solving composite tasks with ten problems in only a single inference process, highlighting the ability of timely intention switching in MeteoRA embedded LLMs.

We introduce MatSynth, a dataset of 4,000+ CC0 ultra-high resolution PBR materials. Materials are crucial components of virtual relightable assets, defining the interaction of light at the surface of geometries. Given their importance, significant research effort was dedicated to their representation, creation and acquisition. However, in the past 6 years, most research in material acquisiton or generation relied either on the same unique dataset, or on company-owned huge library of procedural materials. With this dataset we propose a significantly larger, more diverse, and higher resolution set of materials than previously publicly available. We carefully discuss the data collection process and demonstrate the benefits of this dataset on material acquisition and generation applications. The complete data further contains metadata with each material's origin, license, category, tags, creation method and, when available, descriptions and physical size, as well as 3M+ renderings of the augmented materials, in 1K, under various environment lightings. The MatSynth dataset is released through the project page at: https://www.gvecchio.com/matsynth.

Multipartite entanglement, characterized by the quantum Fisher information (QFI), plays a central role in quantum-enhanced metrology and understanding quantum many-body physics. With a dynamical generalization of the Mazur-Suzuki relations, we provide a rigorous lower bound on the QFI for the thermal Gibbs states in terms of dynamical symmetries, i.e., operators with periodic time dependence. We demonstrate that this bound can be saturated when considering a complete set of dynamical symmetries. Moreover, this lower bound with dynamical symmetries can be generalized to the QFI matrix and to the QFI for the thermal pure states, predicted by the eigenstate thermalization hypothesis. Our results reveal a new perspective to detect multipartite entanglement and other generalized variances in an equilibrium system, from its nonstationary dynamical properties, and is promising for studying emergent nonequilibrium many-body physics.

Predictive artificial intelligence (AI) offers an opportunity to improve clinical practice and patient outcomes, but risks perpetuating biases if fairness is inadequately addressed. However, the definition of "fairness" remains unclear. We conducted a scoping review to identify and critically appraise fairness metrics for clinical predictive AI. We defined a "fairness metric" as a measure quantifying whether a model discriminates (societally) against individuals or groups defined by sensitive attributes. We searched five databases (2014-2024), screening 820 records, to include 41 studies, and extracted 62 fairness metrics. Metrics were classified by performance-dependency, model output level, and base performance metric, revealing a fragmented landscape with limited clinical validation and overreliance on threshold-dependent measures. Eighteen metrics were explicitly developed for healthcare, including only one clinical utility metric. Our findings highlight conceptual challenges in defining and quantifying fairness and identify gaps in uncertainty quantification, intersectionality, and real-world applicability. Future work should prioritise clinically meaningful metrics.

RF/Analog design is essential for bridging digital technologies with real-world signals, ensuring the functionality and reliability of a wide range of electronic systems. However, analog design procedures are often intricate, time-consuming and reliant on expert intuition, and hinder the time and cost efficiency of circuit development. To overcome the limitations of the manual circuit design, we introduce MenTeR - a multiagent workflow integrated into an end-to-end analog design framework. By employing multiple specialized AI agents that collaboratively address different aspects of the design process, such as specification understanding, circuit optimization, and test bench validation, MenTeR reduces the dependency on frequent trial-and-error-style intervention. MenTeR not only accelerates the design cycle time but also facilitates a broader exploration of the design space, demonstrating robust capabilities in handling real-world analog systems. We believe that MenTeR lays the groundwork for future "RF/Analog Copilots" that can collaborate seamlessly with human designers.

Open-vocabulary video visual relationship detection aims to detect objects and their relationships in videos without being restricted by predefined object or relationship categories. Existing methods leverage the rich semantic knowledge of pre-trained vision-language models such as CLIP to identify novel categories. They typically adopt a cascaded pipeline to first detect objects and then classify relationships based on the detected objects, which may lead to error propagation and thus suboptimal performance. In this paper, we propose Mutual EnhancemenT of Objects and Relationships (METOR), a query-based unified framework to jointly model and mutually enhance object detection and relationship classification in open-vocabulary scenarios. Under this framework, we first design a CLIP-based contextual refinement encoding module that extracts visual contexts of objects and relationships to refine the encoding of text features and object queries, thus improving the generalization of encoding to novel categories. Then we propose an iterative enhancement module to alternatively enhance the representations of objects and relationships by fully exploiting their interdependence to improve recognition performance. Extensive experiments on two public datasets, VidVRD and VidOR, demonstrate that our framework achieves state-of-the-art performance.

Physically-based rendering (PBR) has become a cornerstone in modern computer graphics, enabling realistic material representation and lighting interactions in 3D scenes. In this paper, we present MaterialMVP, a novel end-to-end model for generating PBR textures from 3D meshes and image prompts, addressing key challenges in multi-view material synthesis. Our approach leverages Reference Attention to extract and encode informative latent from the input reference images, enabling intuitive and controllable texture generation. We also introduce a Consistency-Regularized Training strategy to enforce stability across varying viewpoints and illumination conditions, ensuring illumination-invariant and geometrically consistent results. Additionally, we propose Dual-Channel Material Generation, which separately optimizes albedo and metallic-roughness (MR) textures while maintaining precise spatial alignment with the input images through Multi-Channel Aligned Attention. Learnable material embeddings are further integrated to capture the distinct properties of albedo and MR. Experimental results demonstrate that our model generates PBR textures with realistic behavior across diverse lighting scenarios, outperforming existing methods in both consistency and quality for scalable 3D asset creation.

This paper presents MetricGrids, a novel grid-based neural representation that combines elementary metric grids in various metric spaces to approximate complex nonlinear signals. While grid-based representations are widely adopted for their efficiency and scalability, the existing feature grids with linear indexing for continuous-space points can only provide degenerate linear latent space representations, and such representations cannot be adequately compensated to represent complex nonlinear signals by the following compact decoder. To address this problem while keeping the simplicity of a regular grid structure, our approach builds upon the standard grid-based paradigm by constructing multiple elementary metric grids as high-order terms to approximate complex nonlinearities, following the Taylor expansion principle. Furthermore, we enhance model compactness with hash encoding based on different sparsities of the grids to prevent detrimental hash collisions, and a high-order extrapolation decoder to reduce explicit grid storage requirements. experimental results on both 2D and 3D reconstructions demonstrate the superior fitting and rendering accuracy of the proposed method across diverse signal types, validating its robustness and generalizability. Code is available at https://github.com/wangshu31/MetricGrids}{https://github.com/wangshu31/MetricGrids.

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.

A facial morph is an image created by combining two (or more) face images pertaining to two (or more) distinct identities. Reference-free face demorphing inverts the process and tries to recover the face images constituting a facial morph without using any other information. However, there is no consensus on the evaluation metrics to be used to evaluate and compare such demorphing techniques. In this paper, we first analyze the shortcomings of the demorphing metrics currently used in the literature. We then propose a new metric called biometrically cross-weighted IQA that overcomes these issues and extensively benchmark current methods on the proposed metric to show its efficacy. Experiments on three existing demorphing methods and six datasets on two commonly used face matchers validate the efficacy of our proposed metric.

We introduce MEt3R, a metric for multi-view consistency in generated images. Large-scale generative models for multi-view image generation are rapidly advancing the field of 3D inference from sparse observations. However, due to the nature of generative modeling, traditional reconstruction metrics are not suitable to measure the quality of generated outputs and metrics that are independent of the sampling procedure are desperately needed. In this work, we specifically address the aspect of consistency between generated multi-view images, which can be evaluated independently of the specific scene. Our approach uses DUSt3R to obtain dense 3D reconstructions from image pairs in a feed-forward manner, which are used to warp image contents from one view into the other. Then, feature maps of these images are compared to obtain a similarity score that is invariant to view-dependent effects. Using MEt3R, we evaluate the consistency of a large set of previous methods for novel view and video generation, including our open, multi-view latent diffusion model.

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.

In this paper, we first propose a novel method for transferring material transformations across different scenes. Building on disentangled Neural Radiance Field (NeRF) representations, our approach learns to map Bidirectional Reflectance Distribution Functions (BRDF) from pairs of scenes observed in varying conditions, such as dry and wet. The learned transformations can then be applied to unseen scenes with similar materials, therefore effectively rendering the transformation learned with an arbitrary level of intensity. Extensive experiments on synthetic scenes and real-world objects validate the effectiveness of our approach, showing that it can learn various transformations such as wetness, painting, coating, etc. Our results highlight not only the versatility of our method but also its potential for practical applications in computer graphics. We publish our method implementation, along with our synthetic/real datasets on https://github.com/astra-vision/BRDFTransform

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.

Re-orchestration is the process of adapting a music piece for a different set of instruments. By altering the original instrumentation, the orchestrator often modifies the musical texture while preserving a recognizable melodic line and ensures that each part is playable within the technical and expressive capabilities of the chosen instruments. In this work, we propose METEOR, a model for generating Melody-aware Texture-controllable re-Orchestration with a Transformer-based variational auto-encoder (VAE). This model performs symbolic instrumental and textural music style transfers with a focus on melodic fidelity and controllability. We allow bar- and track-level controllability of the accompaniment with various textural attributes while keeping a homophonic texture. With both subjective and objective evaluations, we show that our model outperforms style transfer models on a re-orchestration task in terms of generation quality and controllability. Moreover, it can be adapted for a lead sheet orchestration task as a zero-shot learning model, achieving performance comparable to a model specifically trained for this task.

Material selection plays a pivotal role in many industries, from manufacturing to construction. Material selection is usually carried out after several cycles of conceptual design, during which designers iteratively refine the design solution and the intended manufacturing approach. In design research, material selection is typically treated as an optimization problem with a single correct answer. Moreover, it is also often restricted to specific types of objects or design functions, which can make the selection process computationally expensive and time-consuming. In this paper, we introduce MSEval, a novel dataset which is comprised of expert material evaluations across a variety of design briefs and criteria. This data is designed to serve as a benchmark to facilitate the evaluation and modification of machine learning models in the context of material selection for conceptual design.

The popularity of Large Language Models (LLMs) have unleashed a new age ofLanguage Agents for solving a diverse range of tasks. While contemporary frontier LLMs are capable enough to power reasonably good Language agents, the closed-API model makes it hard to improve in cases they perform sub-optimally. To address this, recent works have explored ways to improve their performance using techniques like self-reflection and prompt optimization. Unfortunately, techniques like self-reflection can be used only in an online setup, while contemporary prompt optimization techniques are designed and tested to work on simple tasks. To this end, we introduce MetaReflection, a novel offline reinforcement learning technique that enhances the performance of Language Agents by augmenting a semantic memory based on experiential learnings from past trials. We demonstrate the efficacy of MetaReflection by evaluating across multiple domains, including complex logical reasoning, biomedical semantic similarity, open world question answering, and vulnerability threat detection, in Infrastructure-as-Code, spanning different agent designs. MetaReflection boosts Language agents' performance by 4% to 16.82% over the raw GPT-4 baseline and performs on par with existing state-of-the-art prompt optimization techniques while requiring fewer LLM calls.

Metarobotics aims to combine next generation wireless communication, multi-sense immersion, and collective intelligence to provide a pervasive, itinerant, and non-invasive access and interaction with distant robotized applications. Industry and society are expected to benefit from these functionalities. For instance, robot programmers will no longer travel worldwide to plan and test robot motions, even collaboratively. Instead, they will have a personalized access to robots and their environments from anywhere, thus spending more time with family and friends. Students enrolled in robotics courses will be taught under authentic industrial conditions in real-time. This paper describes objectives of Metarobotics in society, industry, and in-between. It identifies and surveys technologies likely to enable their completion and provides an architecture to put forward the interplay of key components of Metarobotics. Potentials for self-determination, self-efficacy, and work-life-flexibility in robotics-related applications in Society 5.0, Industry 4.0, and Industry 5.0 are outlined.

We introduce Metric3D v2, a geometric foundation model for zero-shot metric depth and surface normal estimation from a single image, which is crucial for metric 3D recovery. While depth and normal are geometrically related and highly complimentary, they present distinct challenges. SoTA monocular depth methods achieve zero-shot generalization by learning affine-invariant depths, which cannot recover real-world metrics. Meanwhile, SoTA normal estimation methods have limited zero-shot performance due to the lack of large-scale labeled data. To tackle these issues, we propose solutions for both metric depth estimation and surface normal estimation. For metric depth estimation, we show that the key to a zero-shot single-view model lies in resolving the metric ambiguity from various camera models and large-scale data training. We propose a canonical camera space transformation module, which explicitly addresses the ambiguity problem and can be effortlessly plugged into existing monocular models. For surface normal estimation, we propose a joint depth-normal optimization module to distill diverse data knowledge from metric depth, enabling normal estimators to learn beyond normal labels. Equipped with these modules, our depth-normal models can be stably trained with over 16 million of images from thousands of camera models with different-type annotations, resulting in zero-shot generalization to in-the-wild images with unseen camera settings. Our method enables the accurate recovery of metric 3D structures on randomly collected internet images, paving the way for plausible single-image metrology. Our project page is at https://JUGGHM.github.io/Metric3Dv2.

We introduce a Cascaded Diffusion Model (Cas-DM) that improves a Denoising Diffusion Probabilistic Model (DDPM) by effectively incorporating additional metric functions in training. Metric functions such as the LPIPS loss have been proven highly effective in consistency models derived from the score matching. However, for the diffusion counterparts, the methodology and efficacy of adding extra metric functions remain unclear. One major challenge is the mismatch between the noise predicted by a DDPM at each step and the desired clean image that the metric function works well on. To address this problem, we propose Cas-DM, a network architecture that cascades two network modules to effectively apply metric functions to the diffusion model training. The first module, similar to a standard DDPM, learns to predict the added noise and is unaffected by the metric function. The second cascaded module learns to predict the clean image, thereby facilitating the metric function computation. Experiment results show that the proposed diffusion model backbone enables the effective use of the LPIPS loss, leading to state-of-the-art image quality (FID, sFID, IS) on various established benchmarks.

In this paper, we propose a method to extract physically-based rendering (PBR) materials from a single real-world image. We do so in two steps: first, we map regions of the image to material concepts using a diffusion model, which allows the sampling of texture images resembling each material in the scene. Second, we benefit from a separate network to decompose the generated textures into Spatially Varying BRDFs (SVBRDFs), providing us with materials ready to be used in rendering applications. Our approach builds on existing synthetic material libraries with SVBRDF ground truth, but also exploits a diffusion-generated RGB texture dataset to allow generalization to new samples using unsupervised domain adaptation (UDA). Our contributions are thoroughly evaluated on synthetic and real-world datasets. We further demonstrate the applicability of our method for editing 3D scenes with materials estimated from real photographs. The code and models will be made open-source. Project page: https://astra-vision.github.io/MaterialPalette/

Unsupervised pre-training strategies have proven to be highly effective in natural language processing and computer vision. Likewise, unsupervised reinforcement learning (RL) holds the promise of discovering a variety of potentially useful behaviors that can accelerate the learning of a wide array of downstream tasks. Previous unsupervised RL approaches have mainly focused on pure exploration and mutual information skill learning. However, despite the previous attempts, making unsupervised RL truly scalable still remains a major open challenge: pure exploration approaches might struggle in complex environments with large state spaces, where covering every possible transition is infeasible, and mutual information skill learning approaches might completely fail to explore the environment due to the lack of incentives. To make unsupervised RL scalable to complex, high-dimensional environments, we propose a novel unsupervised RL objective, which we call Metric-Aware Abstraction (METRA). Our main idea is, instead of directly covering the entire state space, to only cover a compact latent space Z that is metrically connected to the state space S by temporal distances. By learning to move in every direction in the latent space, METRA obtains a tractable set of diverse behaviors that approximately cover the state space, being scalable to high-dimensional environments. Through our experiments in five locomotion and manipulation environments, we demonstrate that METRA can discover a variety of useful behaviors even in complex, pixel-based environments, being the first unsupervised RL method that discovers diverse locomotion behaviors in pixel-based Quadruped and Humanoid. Our code and videos are available at https://seohong.me/projects/metra/

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with both perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard

This paper tackles the problem of depth estimation from a single image. Existing work either focuses on generalization performance disregarding metric scale, i.e. relative depth estimation, or state-of-the-art results on specific datasets, i.e. metric depth estimation. We propose the first approach that combines both worlds, leading to a model with excellent generalization performance while maintaining metric scale. Our flagship model, ZoeD-M12-NK, is pre-trained on 12 datasets using relative depth and fine-tuned on two datasets using metric depth. We use a lightweight head with a novel bin adjustment design called metric bins module for each domain. During inference, each input image is automatically routed to the appropriate head using a latent classifier. Our framework admits multiple configurations depending on the datasets used for relative depth pre-training and metric fine-tuning. Without pre-training, we can already significantly improve the state of the art (SOTA) on the NYU Depth v2 indoor dataset. Pre-training on twelve datasets and fine-tuning on the NYU Depth v2 indoor dataset, we can further improve SOTA for a total of 21% in terms of relative absolute error (REL). Finally, ZoeD-M12-NK is the first model that can jointly train on multiple datasets (NYU Depth v2 and KITTI) without a significant drop in performance and achieve unprecedented zero-shot generalization performance to eight unseen datasets from both indoor and outdoor domains. The code and pre-trained models are publicly available at https://github.com/isl-org/ZoeDepth .

Traditional image detail enhancement is local filter-based or global filter-based. In both approaches, the original image is first divided into the base layer and the detail layer, and then the enhanced image is obtained by amplifying the detail layer. Our method is different, and its innovation lies in the special way to get the image detail layer. The detail layer in our method is obtained by updating the residual features, and the updating mechanism is usually based on searching and matching similar patches. However, due to the diversity of image texture features, perfect matching is often not possible. In this paper, the process of searching and matching is treated as a thermodynamic process, where the Metropolis theorem can minimize the internal energy and get the global optimal solution of this task, that is, to find a more suitable feature for a better detail enhancement performance. Extensive experiments have proven that our algorithm can achieve better results in quantitative metrics testing and visual effects evaluation. The source code can be obtained from the link.

Knowledge Graphs (KGs) are symbolically structured storages of facts. The KG embedding contains concise data used in NLP tasks requiring implicit information about the real world. Furthermore, the size of KGs that may be useful in actual NLP assignments is enormous, and creating embedding over it has memory cost issues. We represent KG as a 3rd-order binary tensor and move beyond the standard CP decomposition by using a data-specific generalized version of it. The generalization of the standard CP-ALS algorithm allows obtaining optimization gradients without a backpropagation mechanism. It reduces the memory needed in training while providing computational benefits. We propose a MEKER, a memory-efficient KG embedding model, which yields SOTA-comparable performance on link prediction tasks and KG-based Question Answering.

We present a new traffic dataset, METEOR, which captures traffic patterns and multi-agent driving behaviors in unstructured scenarios. METEOR consists of more than 1000 one-minute videos, over 2 million annotated frames with bounding boxes and GPS trajectories for 16 unique agent categories, and more than 13 million bounding boxes for traffic agents. METEOR is a dataset for rare and interesting, multi-agent driving behaviors that are grouped into traffic violations, atypical interactions, and diverse scenarios. Every video in METEOR is tagged using a diverse range of factors corresponding to weather, time of the day, road conditions, and traffic density. We use METEOR to benchmark perception methods for object detection and multi-agent behavior prediction. Our key finding is that state-of-the-art models for object detection and behavior prediction, which otherwise succeed on existing datasets such as Waymo, fail on the METEOR dataset. METEOR marks the first step towards the development of more sophisticated perception models for dense, heterogeneous, and unstructured scenarios.

Metric learning involves learning a discriminative representation such that embeddings of similar classes are encouraged to be close, while embeddings of dissimilar classes are pushed far apart. State-of-the-art methods focus mostly on sophisticated loss functions or mining strategies. On the one hand, metric learning losses consider two or more examples at a time. On the other hand, modern data augmentation methods for classification consider two or more examples at a time. The combination of the two ideas is under-studied. In this work, we aim to bridge this gap and improve representations using mixup, which is a powerful data augmentation approach interpolating two or more examples and corresponding target labels at a time. This task is challenging because unlike classification, the loss functions used in metric learning are not additive over examples, so the idea of interpolating target labels is not straightforward. To the best of our knowledge, we are the first to investigate mixing both examples and target labels for deep metric learning. We develop a generalized formulation that encompasses existing metric learning loss functions and modify it to accommodate for mixup, introducing Metric Mix, or Metrix. We also introduce a new metric - utilization, to demonstrate that by mixing examples during training, we are exploring areas of the embedding space beyond the training classes, thereby improving representations. To validate the effect of improved representations, we show that mixing inputs, intermediate representations or embeddings along with target labels significantly outperforms state-of-the-art metric learning methods on four benchmark deep metric learning datasets.

The discrepancy between the cost function used for training a speech enhancement model and human auditory perception usually makes the quality of enhanced speech unsatisfactory. Objective evaluation metrics which consider human perception can hence serve as a bridge to reduce the gap. Our previously proposed MetricGAN was designed to optimize objective metrics by connecting the metric with a discriminator. Because only the scores of the target evaluation functions are needed during training, the metrics can even be non-differentiable. In this study, we propose a MetricGAN+ in which three training techniques incorporating domain-knowledge of speech processing are proposed. With these techniques, experimental results on the VoiceBank-DEMAND dataset show that MetricGAN+ can increase PESQ score by 0.3 compared to the previous MetricGAN and achieve state-of-the-art results (PESQ score = 3.15).

Metric space magnitude, an active subject of research in algebraic topology, originally arose in the context of biology, where it was used to represent the effective number of distinct species in an environment. In a more general setting, the magnitude of a metric space is a real number that aims to quantify the effective number of distinct points in the space. The contribution of each point to a metric space's global magnitude, which is encoded by the {\em weighting vector}, captures much of the underlying geometry of the original metric space. Surprisingly, when the metric space is Euclidean, the weighting vector also serves as an effective tool for boundary detection. This allows the weighting vector to serve as the foundation of novel algorithms for classic machine learning tasks such as classification, outlier detection and active learning. We demonstrate, using experiments and comparisons on classic benchmark datasets, the promise of the proposed magnitude and weighting vector-based approaches.

The ethical concept of fairness has recently been applied in machine learning (ML) settings to describe a wide range of constraints and objectives. When considering the relevance of ethical concepts to subset selection problems, the concepts of diversity and inclusion are additionally applicable in order to create outputs that account for social power and access differentials. We introduce metrics based on these concepts, which can be applied together, separately, and in tandem with additional fairness constraints. Results from human subject experiments lend support to the proposed criteria. Social choice methods can additionally be leveraged to aggregate and choose preferable sets, and we detail how these may be applied.

metric-learn is an open source Python package implementing supervised and weakly-supervised distance metric learning algorithms. As part of scikit-learn-contrib, it provides a unified interface compatible with scikit-learn which allows to easily perform cross-validation, model selection, and pipelining with other machine learning estimators. metric-learn is thoroughly tested and available on PyPi under the MIT licence.

We present metrics for measuring state similarity in Markov decision processes (MDPs) with infinitely many states, including MDPs with continuous state spaces. Such metrics provide a stable quantitative analogue of the notion of bisimulation for MDPs, and are suitable for use in MDP approximation. We show that the optimal value function associated with a discounted infinite horizon planning task varies continuously with respect to our metric distances.

Generative models have demonstrated remarkable capability in synthesizing high-quality text, images, and videos. For video generation, contemporary text-to-video models exhibit impressive capabilities, crafting visually stunning videos. Nonetheless, evaluating such videos poses significant challenges. Current research predominantly employs automated metrics such as FVD, IS, and CLIP Score. However, these metrics provide an incomplete analysis, particularly in the temporal assessment of video content, thus rendering them unreliable indicators of true video quality. Furthermore, while user studies have the potential to reflect human perception accurately, they are hampered by their time-intensive and laborious nature, with outcomes that are often tainted by subjective bias. In this paper, we investigate the limitations inherent in existing metrics and introduce a novel evaluation pipeline, the Text-to-Video Score (T2VScore). This metric integrates two pivotal criteria: (1) Text-Video Alignment, which scrutinizes the fidelity of the video in representing the given text description, and (2) Video Quality, which evaluates the video's overall production caliber with a mixture of experts. Moreover, to evaluate the proposed metrics and facilitate future improvements on them, we present the TVGE dataset, collecting human judgements of 2,543 text-to-video generated videos on the two criteria. Experiments on the TVGE dataset demonstrate the superiority of the proposed T2VScore on offering a better metric for text-to-video generation.

Accurate material retrieval is critical for creating realistic 3D assets. Existing methods rely on datasets that capture shape-invariant and lighting-varied representations of materials, which are scarce and face challenges due to limited diversity and inadequate real-world generalization. Most current approaches adopt traditional image search techniques. They fall short in capturing the unique properties of material spaces, leading to suboptimal performance in retrieval tasks. Addressing these challenges, we introduce MaRI, a framework designed to bridge the feature space gap between synthetic and real-world materials. MaRI constructs a shared embedding space that harmonizes visual and material attributes through a contrastive learning strategy by jointly training an image and a material encoder, bringing similar materials and images closer while separating dissimilar pairs within the feature space. To support this, we construct a comprehensive dataset comprising high-quality synthetic materials rendered with controlled shape variations and diverse lighting conditions, along with real-world materials processed and standardized using material transfer techniques. Extensive experiments demonstrate the superior performance, accuracy, and generalization capabilities of MaRI across diverse and complex material retrieval tasks, outperforming existing methods.

The ability to discover new materials with desirable properties is critical for numerous applications from helping mitigate climate change to advances in next generation computing hardware. AI has the potential to accelerate materials discovery and design by more effectively exploring the chemical space compared to other computational methods or by trial-and-error. While substantial progress has been made on AI for materials data, benchmarks, and models, a barrier that has emerged is the lack of publicly available training data and open pre-trained models. To address this, we present a Meta FAIR release of the Open Materials 2024 (OMat24) large-scale open dataset and an accompanying set of pre-trained models. OMat24 contains over 110 million density functional theory (DFT) calculations focused on structural and compositional diversity. Our EquiformerV2 models achieve state-of-the-art performance on the Matbench Discovery leaderboard and are capable of predicting ground-state stability and formation energies to an F1 score above 0.9 and an accuracy of 20 meV/atom, respectively. We explore the impact of model size, auxiliary denoising objectives, and fine-tuning on performance across a range of datasets including OMat24, MPtraj, and Alexandria. The open release of the OMat24 dataset and models enables the research community to build upon our efforts and drive further advancements in AI-assisted materials science.

This paper introduces a novel, entity-aware metric, termed as Radiological Report (Text) Evaluation (RaTEScore), to assess the quality of medical reports generated by AI models. RaTEScore emphasizes crucial medical entities such as diagnostic outcomes and anatomical details, and is robust against complex medical synonyms and sensitive to negation expressions. Technically, we developed a comprehensive medical NER dataset, RaTE-NER, and trained an NER model specifically for this purpose. This model enables the decomposition of complex radiological reports into constituent medical entities. The metric itself is derived by comparing the similarity of entity embeddings, obtained from a language model, based on their types and relevance to clinical significance. Our evaluations demonstrate that RaTEScore aligns more closely with human preference than existing metrics, validated both on established public benchmarks and our newly proposed RaTE-Eval benchmark.

As large language models expand beyond natural language to domains such as mathematics, multimodal understanding, and embodied agents, tokens increasingly reflect metric relationships rather than purely linguistic meaning. We introduce DIST2Loss, a distance-aware framework designed to train autoregressive discrete models by leveraging predefined distance relationships among output tokens. At its core, DIST2Loss transforms continuous exponential family distributions derived from inherent distance metrics into discrete, categorical optimization targets compatible with the models' architectures. This approach enables the models to learn and preserve meaningful distance relationships during token generation while maintaining compatibility with existing architectures. Empirical evaluations show consistent performance gains in diverse multimodal applications, including visual grounding, robotic manipulation, generative reward modeling, and image generation using vector-quantized features. These improvements are pronounced in cases of limited training data, highlighting DIST2Loss's effectiveness in resource-constrained settings.

Digital Forensics and Incident Response (DFIR) involves analyzing digital evidence to support legal investigations. Large Language Models (LLMs) offer new opportunities in DFIR tasks such as log analysis and memory forensics, but their susceptibility to errors and hallucinations raises concerns in high-stakes contexts. Despite growing interest, there is no comprehensive benchmark to evaluate LLMs across both theoretical and practical DFIR domains. To address this gap, we present DFIR-Metric, a benchmark with three components: (1) Knowledge Assessment: a set of 700 expert-reviewed multiple-choice questions sourced from industry-standard certifications and official documentation; (2) Realistic Forensic Challenges: 150 CTF-style tasks testing multi-step reasoning and evidence correlation; and (3) Practical Analysis: 500 disk and memory forensics cases from the NIST Computer Forensics Tool Testing Program (CFTT). We evaluated 14 LLMs using DFIR-Metric, analyzing both their accuracy and consistency across trials. We also introduce a new metric, the Task Understanding Score (TUS), designed to more effectively evaluate models in scenarios where they achieve near-zero accuracy. This benchmark offers a rigorous, reproducible foundation for advancing AI in digital forensics. All scripts, artifacts, and results are available on the project website at https://github.com/DFIR-Metric.

We present TIGERScore, a Trained metric that follows Instruction Guidance to perform Explainable, and Reference-free evaluation over a wide spectrum of text generation tasks. Different from other automatic evaluation methods that only provide arcane scores, TIGERScore is guided by the natural language instruction to provide error analysis to pinpoint the mistakes in the generated text. Our metric is based on LLaMA, trained on our meticulously curated instruction-tuning dataset MetricInstruct which covers 6 text generation tasks and 23 text generation datasets. The dataset consists of 48K quadruple in the form of (instruction, input, system output rightarrow error analysis). We collected the `system outputs' through diverse channels to cover different types of errors. To quantitatively assess our metric, we evaluate its correlation with human ratings on 5 held-in datasets, 2 held-out datasets and show that TIGERScore can achieve the highest overall Spearman's correlation with human ratings across these datasets and outperforms other metrics significantly. As a reference-free metric, its correlation can even surpass the best existing reference-based metrics. To further qualitatively assess the rationale generated by our metric, we conduct human evaluation on the generated explanations and found that the explanations are 70.8\% accurate. Through these experimental results, we believe TIGERScore demonstrates the possibility of building universal explainable metrics to evaluate any text generation task.

Editing materials of objects in images based on exemplar images is an active area of research in computer vision and graphics. We propose MARBLE, a method for performing material blending and recomposing fine-grained material properties by finding material embeddings in CLIP-space and using that to control pre-trained text-to-image models. We improve exemplar-based material editing by finding a block in the denoising UNet responsible for material attribution. Given two material exemplar-images, we find directions in the CLIP-space for blending the materials. Further, we can achieve parametric control over fine-grained material attributes such as roughness, metallic, transparency, and glow using a shallow network to predict the direction for the desired material attribute change. We perform qualitative and quantitative analysis to demonstrate the efficacy of our proposed method. We also present the ability of our method to perform multiple edits in a single forward pass and applicability to painting. Project Page: https://marblecontrol.github.io/

As large language models (LLMs) continue to evolve, the need for robust and standardized evaluation benchmarks becomes paramount. Evaluating the performance of these models is a complex challenge that requires careful consideration of various linguistic tasks, model architectures, and benchmarking methodologies. In recent years, various frameworks have emerged as noteworthy contributions to the field, offering comprehensive evaluation tests and benchmarks for assessing the capabilities of LLMs across diverse domains. This paper provides an exploration and critical analysis of some of these evaluation methodologies, shedding light on their strengths, limitations, and impact on advancing the state-of-the-art in natural language processing.

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.

Two prominent challenges in explainability research involve 1) the nuanced evaluation of explanations and 2) the modeling of missing information through baseline representations. The existing literature introduces diverse evaluation metrics, each scrutinizing the quality of explanations through distinct lenses. Additionally, various baseline representations have been proposed, each modeling the notion of missingness differently. Yet, a consensus on the ultimate evaluation metric and baseline representation remains elusive. This work acknowledges the diversity in explanation metrics and baselines, demonstrating that different metrics exhibit preferences for distinct explanation maps resulting from the utilization of different baseline representations and distributions. To address the diversity in metrics and accommodate the variety of baseline representations in a unified manner, we propose Baseline Exploration-Exploitation (BEE) - a path-integration method that introduces randomness to the integration process by modeling the baseline as a learned random tensor. This tensor follows a learned mixture of baseline distributions optimized through a contextual exploration-exploitation procedure to enhance performance on the specific metric of interest. By resampling the baseline from the learned distribution, BEE generates a comprehensive set of explanation maps, facilitating the selection of the best-performing explanation map in this broad set for the given metric. Extensive evaluations across various model architectures showcase the superior performance of BEE in comparison to state-of-the-art explanation methods on a variety of objective evaluation metrics.

Understanding the quality of a performance evaluation metric is crucial for ensuring that model outputs align with human preferences. However, it remains unclear how well each metric captures the diverse aspects of these preferences, as metrics often excel in one particular area but not across all dimensions. To address this, it is essential to systematically calibrate metrics to specific aspects of human preference, catering to the unique characteristics of each aspect. We introduce MetaMetrics, a calibrated meta-metric designed to evaluate generation tasks across different modalities in a supervised manner. MetaMetrics optimizes the combination of existing metrics to enhance their alignment with human preferences. Our metric demonstrates flexibility and effectiveness in both language and vision downstream tasks, showing significant benefits across various multilingual and multi-domain scenarios. MetaMetrics aligns closely with human preferences and is highly extendable and easily integrable into any application. This makes MetaMetrics a powerful tool for improving the evaluation of generation tasks, ensuring that metrics are more representative of human judgment across diverse contexts.

Automatic metrics are extensively used to evaluate natural language processing systems. However, there has been increasing focus on how they are used and reported by practitioners within the field. In this paper, we have conducted a survey on the use of automatic metrics, focusing particularly on natural language generation (NLG) tasks. We inspect which metrics are used as well as why they are chosen and how their use is reported. Our findings from this survey reveal significant shortcomings, including inappropriate metric usage, lack of implementation details and missing correlations with human judgements. We conclude with recommendations that we believe authors should follow to enable more rigour within the field.

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.

Large language models (LLMs) power many state-of-the-art systems in natural language processing. However, these models are extremely computationally expensive, even at inference time, raising the natural question: when is the extra cost of deploying a larger model worth the anticipated boost in capabilities? Better understanding this tradeoff fundamentally could benefit from an inference efficiency metric that is both (i) easily comparable across models from different providers, and (ii) representative of the true cost of running queries in an isolated performance environment. Unfortunately, access to LLMs today is largely restricted to black-box text generation APIs and raw runtimes measured through this interface do not satisfy these desiderata: model providers can apply various software and hardware optimizations orthogonal to the model, and models served on shared infrastructure are susceptible to performance contention. To circumvent these problems, we propose a new metric for comparing inference efficiency across models. This metric puts models on equal footing as though they were served (i) on uniform hardware and software, and (ii) without performance contention. We call this metric the idealized runtime, and we propose a methodology to efficiently estimate this metric for autoregressive Transformer models. We also propose cost-aware variants that incorporate the number of accelerators needed to serve the model. Using these metrics, we compare ten state-of-the-art LLMs to provide the first analysis of inference efficiency-capability tradeoffs; we make several observations from this analysis, including the fact that the superior inference runtime performance of certain APIs is often a byproduct of optimizations within the API rather than the underlying model. Our methodology also facilitates the efficient comparison of different software and hardware stacks.

Existing metrics for evaluating the quality of automatically generated questions such as BLEU, ROUGE, BERTScore, and BLEURT compare the reference and predicted questions, providing a high score when there is a considerable lexical overlap or semantic similarity between the candidate and the reference questions. This approach has two major shortcomings. First, we need expensive human-provided reference questions. Second, it penalises valid questions that may not have high lexical or semantic similarity to the reference questions. In this paper, we propose a new metric, RQUGE, based on the answerability of the candidate question given the context. The metric consists of a question-answering and a span scorer modules, using pre-trained models from existing literature, thus it can be used without any further training. We demonstrate that RQUGE has a higher correlation with human judgment without relying on the reference question. Additionally, RQUGE is shown to be more robust to several adversarial corruptions. Furthermore, we illustrate that we can significantly improve the performance of QA models on out-of-domain datasets by fine-tuning on synthetic data generated by a question generation model and re-ranked by RQUGE.

Artificial neural networks have become a staple computing technique in many fields. Yet, they present fundamental differences with classical computing hardware in the way they process information. Photonic implementations of neural network architectures potentially offer fundamental advantages over their electronic counterparts in terms of speed, processing parallelism, scalability and energy efficiency. Scalable and high performance photonic neural networks (PNNs) have been demonstrated, yet they remain scarce. In this work, we study the performance of such a scalable, fully parallel and autonomous PNN based on a large area vertical-cavity surface-emitting laser (LA-VCSEL). We show how the performance varies with different physical parameters, namely, injection wavelength, injection power, and bias current. Furthermore, we link these physical parameters to the general computational measures of consistency and dimensionality. We present a general method of gauging dimensionality in high dimensional nonlinear systems subject to noise, which could be applied to many systems in the context of neuromorphic computing. Our work will inform future implementations of spatially multiplexed VCSEL PNNs.

Multilingual models, such as M-BERT and XLM-R, have gained increasing popularity, due to their zero-shot cross-lingual transfer learning capabilities. However, their generalization ability is still inconsistent for typologically diverse languages and across different benchmarks. Recently, meta-learning has garnered attention as a promising technique for enhancing transfer learning under low-resource scenarios: particularly for cross-lingual transfer in Natural Language Understanding (NLU). In this work, we propose X-METRA-ADA, a cross-lingual MEta-TRAnsfer learning ADAptation approach for NLU. Our approach adapts MAML, an optimization-based meta-learning approach, to learn to adapt to new languages. We extensively evaluate our framework on two challenging cross-lingual NLU tasks: multilingual task-oriented dialog and typologically diverse question answering. We show that our approach outperforms naive fine-tuning, reaching competitive performance on both tasks for most languages. Our analysis reveals that X-METRA-ADA can leverage limited data for faster adaptation.

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.

The lack of labeled datasets in 3D vision for surgical scenes inhibits the development of robust 3D reconstruction algorithms in the medical domain. Despite the popularity of Neural Radiance Fields and 3D Gaussian Splatting in the general computer vision community, these systems have yet to find consistent success in surgical scenes due to challenges such as non-stationary lighting and non-Lambertian surfaces. As a result, the need for labeled surgical datasets continues to grow. In this work, we introduce a differentiable rendering framework for material and lighting estimation from endoscopic images and known geometry. Compared to previous approaches that model lighting and material jointly as radiance, we explicitly disentangle these scene properties for robust and photorealistic novel view synthesis. To disambiguate the training process, we formulate domain-specific properties inherent in surgical scenes. Specifically, we model the scene lighting as a simple spotlight and material properties as a bidirectional reflectance distribution function, parameterized by a neural network. By grounding color predictions in the rendering equation, we can generate photorealistic images at arbitrary camera poses. We evaluate our method with various sequences from the Colonoscopy 3D Video Dataset and show that our method produces competitive novel view synthesis results compared with other approaches. Furthermore, we demonstrate that synthetic data can be used to develop 3D vision algorithms by finetuning a depth estimation model with our rendered outputs. Overall, we see that the depth estimation performance is on par with fine-tuning with the original real images.

This position paper emphasizes the critical gap in the evaluation of Explainable AI (XAI) due to the lack of standardized and reliable metrics, which diminishes its practical value, trustworthiness, and ability to meet regulatory requirements. Current evaluation methods are often fragmented, subjective, and biased, making them prone to manipulation and complicating the assessment of complex models. A central issue is the absence of a ground truth for explanations, complicating comparisons across various XAI approaches. To address these challenges, we advocate for widespread research into developing robust, context-sensitive evaluation metrics. These metrics should be resistant to manipulation, relevant to each use case, and based on human judgment and real-world applicability. We also recommend creating domain-specific evaluation benchmarks that align with the user and regulatory needs of sectors such as healthcare and finance. By encouraging collaboration among academia, industry, and regulators, we can create standards that balance flexibility and consistency, ensuring XAI explanations are meaningful, trustworthy, and compliant with evolving regulations.

Large language models (LLMs) are increasingly utilized for machine translation, yet their predictions often exhibit uncertainties that hinder interpretability and user trust. Effectively visualizing these uncertainties can enhance the usability of LLM outputs, particularly in contexts where translation accuracy is critical. This paper addresses two primary objectives: (1) providing users with token-level insights into model confidence and (2) developing a web-based visualization tool to quantify and represent translation uncertainties. To achieve these goals, we utilized the T5 model with the WMT19 dataset for translation tasks and evaluated translation quality using established metrics such as BLEU, METEOR, and ROUGE. We introduced three novel uncertainty quantification (UQ) metrics: (1) the geometric mean of token probabilities, (2) the arithmetic mean of token probabilities, and (3) the arithmetic mean of the kurtosis of token distributions. These metrics provide a simple yet effective framework for evaluating translation performance. Our analysis revealed a linear relationship between the traditional evaluation metrics and our UQ metrics, demonstrating the validity of our approach. Additionally, we developed an interactive web-based visualization that uses a color gradient to represent token confidence. This tool offers users a clear and intuitive understanding of translation quality while providing valuable insights into model performance. Overall, we show that our UQ metrics and visualization are both robust and interpretable, offering practical tools for evaluating and accessing machine translation systems.

We present MOFA, an open-source generative AI (GenAI) plus simulation workflow for high-throughput generation of metal-organic frameworks (MOFs) on large-scale high-performance computing (HPC) systems. MOFA addresses key challenges in integrating GPU-accelerated computing for GPU-intensive GenAI tasks, including distributed training and inference, alongside CPU- and GPU-optimized tasks for screening and filtering AI-generated MOFs using molecular dynamics, density functional theory, and Monte Carlo simulations. These heterogeneous tasks are unified within an online learning framework that optimizes the utilization of available CPU and GPU resources across HPC systems. Performance metrics from a 450-node (14,400 AMD Zen 3 CPUs + 1800 NVIDIA A100 GPUs) supercomputer run demonstrate that MOFA achieves high-throughput generation of novel MOF structures, with CO_2 adsorption capacities ranking among the top 10 in the hypothetical MOF (hMOF) dataset. Furthermore, the production of high-quality MOFs exhibits a linear relationship with the number of nodes utilized. The modular architecture of MOFA will facilitate its integration into other scientific applications that dynamically combine GenAI with large-scale simulations.

While Minimum Bayes Risk (MBR) decoding using metrics such as COMET or MetricX has outperformed traditional decoding methods such as greedy or beam search, it introduces a challenge we refer to as metric bias. As MBR decoding aims to produce translations that score highly according to a specific utility metric, this very process makes it impossible to use the same metric for both decoding and evaluation, as improvements might simply be due to reward hacking rather than reflecting real quality improvements. In this work we find that compared to human ratings, neural metrics not only overestimate the quality of MBR decoding when the same metric is used as the utility metric, but they also overestimate the quality of MBR/QE decoding with other neural utility metrics as well. We also show that the metric bias issue can be mitigated by using an ensemble of utility metrics during MBR decoding: human evaluations show that MBR decoding using an ensemble of utility metrics outperforms a single utility metric.

Monocular metric depth estimation (MMDE) is a crucial task to solve for indoor scene reconstruction on edge devices. Despite this importance, existing models are sensitive to factors such as boundary frequency of objects in the scene and scene complexity, failing to fully capture many indoor scenes. In this work, we propose to close this gap through the task of monocular metric depth refinement (MMDR) by leveraging state-of-the-art MMDE models. MultiDepth proposes a solution by taking samples of the image along with the initial depth map prediction made by a pre-trained MMDE model. Compared to existing iterative depth refinement techniques, MultiDepth does not employ normal map prediction as part of its architecture, effectively lowering the model size and computation overhead while outputting impactful changes from refining iterations. MultiDepth implements a lightweight encoder-decoder architecture for the refinement network, processing multiple samples from the given image, including segmentation masking. We evaluate MultiDepth on four datasets and compare them to state-of-the-art methods to demonstrate its effective refinement with minimal overhead, displaying accuracy improvement upward of 45%.

Being prompted to engage in reasoning has emerged as a core technique for using large language models (LLMs), deploying additional inference-time compute to improve task performance. However, as LLMs increase in both size and adoption, inference costs are correspondingly becoming increasingly burdensome. How, then, might we optimize reasoning's cost-performance tradeoff? This work introduces a novel approach based on computational models of metareasoning used in cognitive science, training LLMs to selectively use intermediate reasoning steps only when necessary. We first develop a reward function that incorporates the Value of Computation by penalizing unnecessary reasoning, then use this reward function with Expert Iteration to train the LLM. Compared to few-shot chain-of-thought prompting and STaR, our method significantly reduces inference costs (20-37\% fewer tokens generated across three models) while maintaining task performance across diverse datasets.

In this work, we address the challenge of developing automatic evaluation metrics for image captioning, with a particular focus on robustness against hallucinations. Existing metrics are often inadequate for handling hallucinations, primarily due to their limited ability to compare candidate captions with multifaceted reference captions. To address this shortcoming, we propose DENEB, a novel supervised automatic evaluation metric specifically robust against hallucinations. DENEB incorporates the Sim-Vec Transformer, a mechanism that processes multiple references simultaneously, thereby efficiently capturing the similarity between an image, a candidate caption, and reference captions. To train DENEB, we construct the diverse and balanced Nebula dataset comprising 32,978 images, paired with human judgments provided by 805 annotators. We demonstrated that DENEB achieves state-of-the-art performance among existing LLM-free metrics on the FOIL, Composite, Flickr8K-Expert, Flickr8K-CF, Nebula, and PASCAL-50S datasets, validating its effectiveness and robustness against hallucinations.

Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pipeline that leverages recent advances in Generative AI. It is designed for analyzing and understanding the microstructures of semiconductor materials with effectiveness comparable to that of human experts, contributing to the pursuit of Artificial General Intelligence (AGI) in nanomaterial identification. Our approach utilizes Large MultiModal Models (LMMs) such as GPT-4V, alongside text-to-image models like DALLE-3. We integrate a GPT-4 guided Visual Question Answering (VQA) method to analyze nanomaterial images, generate synthetic nanomaterial images via DALLE-3, and employ in-context learning with few-shot prompting in GPT-4V for accurate nanomaterial identification. Our method surpasses traditional techniques by enhancing the precision of nanomaterial identification and optimizing the process for high-throughput screening.

Crystalline materials are a fundamental component in next-generation technologies, yet modeling their distribution presents unique computational challenges. Of the plausible arrangements of atoms in a periodic lattice only a vanishingly small percentage are thermodynamically stable, which is a key indicator of the materials that can be experimentally realized. Two fundamental tasks in this area are to (a) predict the stable crystal structure of a known composition of elements and (b) propose novel compositions along with their stable structures. We present FlowMM, a pair of generative models that achieve state-of-the-art performance on both tasks while being more efficient and more flexible than competing methods. We generalize Riemannian Flow Matching to suit the symmetries inherent to crystals: translation, rotation, permutation, and periodic boundary conditions. Our framework enables the freedom to choose the flow base distributions, drastically simplifying the problem of learning crystal structures compared with diffusion models. In addition to standard benchmarks, we validate FlowMM's generated structures with quantum chemistry calculations, demonstrating that it is about 3x more efficient, in terms of integration steps, at finding stable materials compared to previous open methods.

Recent surveys on data augmentation for natural language processing have reported different techniques and advancements in the field. Several frameworks, tools, and repositories promote the implementation of text data augmentation pipelines. However, a lack of evaluation criteria and standards for method comparison due to different tasks, metrics, datasets, architectures, and experimental settings makes comparisons meaningless. Also, a lack of methods unification exists and text data augmentation research would benefit from unified metrics to compare different augmentation methods. Thus, academics and the industry endeavor relevant evaluation metrics for text data augmentation techniques. The contribution of this work is to provide a taxonomy of evaluation metrics for text augmentation methods and serve as a direction for a unified benchmark. The proposed taxonomy organizes categories that include tools for implementation and metrics calculation. Finally, with this study, we intend to present opportunities to explore the unification and standardization of text data augmentation metrics.

Deep Metric Learning (DML) has long attracted the attention of the machine learning community as a key objective. Existing solutions concentrate on fine-tuning the pre-trained models on conventional image datasets. As a result of the success of recent pre-trained models trained from larger-scale datasets, it is challenging to adapt the model to the DML tasks in the local data domain while retaining the previously gained knowledge. In this paper, we investigate parameter-efficient methods for fine-tuning the pre-trained model for DML tasks. In particular, we propose a novel and effective framework based on learning Visual Prompts (VPT) in the pre-trained Vision Transformers (ViT). Based on the conventional proxy-based DML paradigm, we augment the proxy by incorporating the semantic information from the input image and the ViT, in which we optimize the visual prompts for each class. We demonstrate that our new approximations with semantic information are superior to representative capabilities, thereby improving metric learning performance. We conduct extensive experiments to demonstrate that our proposed framework is effective and efficient by evaluating popular DML benchmarks. In particular, we demonstrate that our fine-tuning method achieves comparable or even better performance than recent state-of-the-art full fine-tuning works of DML while tuning only a small percentage of total parameters.

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised deep-learning applications, these methods tend to be less adequate when there is large intra-class variance and low inter-class variance in input data distribution. Deep Metric Learning seeks to develop methods that aim to measure the similarity between data samples by learning a representation function that maps these data samples into a representative embedding space. It leverages carefully designed sampling strategies and loss functions that aid in optimizing the generation of a discriminative embedding space even for distributions having low inter-class and high intra-class variances. In this chapter, we will provide an overview of recent progress in this area and discuss state-of-the-art Deep Metric Learning approaches.

The multitude of makeup products available can make it challenging to find the ideal match for desired attributes. An intelligent approach for product discovery is required to enhance the makeup shopping experience to make it more convenient and satisfying. However, enabling accurate and efficient product discovery requires extracting detailed attributes like color and finish type. Our work introduces an automated pipeline that utilizes multiple customized machine learning models to extract essential material attributes from makeup product images. Our pipeline is versatile and capable of handling various makeup products. To showcase the efficacy of our pipeline, we conduct extensive experiments on eyeshadow products (both single and multi-shade ones), a challenging makeup product known for its diverse range of shapes, colors, and finish types. Furthermore, we demonstrate the applicability of our approach by successfully extending it to other makeup categories like lipstick and foundation, showcasing its adaptability and effectiveness across different beauty products. Additionally, we conduct ablation experiments to demonstrate the superiority of our machine learning pipeline over human labeling methods in terms of reliability. Our proposed method showcases its effectiveness in cross-category product discovery, specifically in recommending makeup products that perfectly match a specified outfit. Lastly, we also demonstrate the application of these material attributes in enabling virtual-try-on experiences which makes makeup shopping experience significantly more engaging.

Coloniality, the continuation of colonial harms beyond "official" colonization, has pervasive effects across society and scientific fields. Natural Language Processing (NLP) is no exception to this broad phenomenon. In this work, we argue that coloniality is implicitly embedded in and amplified by NLP data, algorithms, and software. We formalize this analysis using Actor-Network Theory (ANT): an approach to understanding social phenomena through the network of relationships between human stakeholders and technology. We use our Actor-Network to guide a quantitative survey of the geography of different phases of NLP research, providing evidence that inequality along colonial boundaries increases as NLP builds on itself. Based on this, we argue that combating coloniality in NLP requires not only changing current values but also active work to remove the accumulation of colonial ideals in our foundational data and algorithms.

Referenceless metrics (e.g., CLIPScore) use pretrained vision--language models to assess image descriptions directly without costly ground-truth reference texts. Such methods can facilitate rapid progress, but only if they truly align with human preference judgments. In this paper, we introduce ContextRef, a benchmark for assessing referenceless metrics for such alignment. ContextRef has two components: human ratings along a variety of established quality dimensions, and ten diverse robustness checks designed to uncover fundamental weaknesses. A crucial aspect of ContextRef is that images and descriptions are presented in context, reflecting prior work showing that context is important for description quality. Using ContextRef, we assess a variety of pretrained models, scoring functions, and techniques for incorporating context. None of the methods is successful with ContextRef, but we show that careful fine-tuning yields substantial improvements. ContextRef remains a challenging benchmark though, in large part due to the challenge of context dependence.

Designing metrics for evaluating instance segmentation revolves around comprehensively considering object detection and segmentation accuracy. However, other important properties, such as sensitivity, continuity, and equality, are overlooked in the current study. In this paper, we reveal that most existing metrics have a limited resolution of segmentation quality. They are only conditionally sensitive to the change of masks or false predictions. For certain metrics, the score can change drastically in a narrow range which could provide a misleading indication of the quality gap between results. Therefore, we propose a new metric called sortedAP, which strictly decreases with both object- and pixel-level imperfections and has an uninterrupted penalization scale over the entire domain. We provide the evaluation toolkit and experiment code at https://www.github.com/looooongChen/sortedAP.

Neural metrics for machine translation evaluation, such as COMET, exhibit significant improvements in their correlation with human judgments, as compared to traditional metrics based on lexical overlap, such as BLEU. Yet, neural metrics are, to a great extent, "black boxes" returning a single sentence-level score without transparency about the decision-making process. In this work, we develop and compare several neural explainability methods and demonstrate their effectiveness for interpreting state-of-the-art fine-tuned neural metrics. Our study reveals that these metrics leverage token-level information that can be directly attributed to translation errors, as assessed through comparison of token-level neural saliency maps with Multidimensional Quality Metrics (MQM) annotations and with synthetically-generated critical translation errors. To ease future research, we release our code at: https://github.com/Unbabel/COMET/tree/explainable-metrics.

Multi-modal trajectory forecasting methods commonly evaluate using single-agent metrics (marginal metrics), such as minimum Average Displacement Error (ADE) and Final Displacement Error (FDE), which fail to capture joint performance of multiple interacting agents. Only focusing on marginal metrics can lead to unnatural predictions, such as colliding trajectories or diverging trajectories for people who are clearly walking together as a group. Consequently, methods optimized for marginal metrics lead to overly-optimistic estimations of performance, which is detrimental to progress in trajectory forecasting research. In response to the limitations of marginal metrics, we present the first comprehensive evaluation of state-of-the-art (SOTA) trajectory forecasting methods with respect to multi-agent metrics (joint metrics): JADE, JFDE, and collision rate. We demonstrate the importance of joint metrics as opposed to marginal metrics with quantitative evidence and qualitative examples drawn from the ETH / UCY and Stanford Drone datasets. We introduce a new loss function incorporating joint metrics that, when applied to a SOTA trajectory forecasting method, achieves a 7% improvement in JADE / JFDE on the ETH / UCY datasets with respect to the previous SOTA. Our results also indicate that optimizing for joint metrics naturally leads to an improvement in interaction modeling, as evidenced by a 16% decrease in mean collision rate on the ETH / UCY datasets with respect to the previous SOTA.

Recovering causal relationships from data is an important problem. Using observational data, one can typically only recover causal graphs up to a Markov equivalence class and additional assumptions or interventional data are needed for complete recovery. In this work, under some standard assumptions, we study causal graph discovery via adaptive interventions with node-dependent interventional costs. For this setting, we show that no algorithm can achieve an approximation guarantee that is asymptotically better than linear in the number of vertices with respect to the verification number; a well-established benchmark for adaptive search algorithms. Motivated by this negative result, we define a new benchmark that captures the worst-case interventional cost for any search algorithm. Furthermore, with respect to this new benchmark, we provide adaptive search algorithms that achieve logarithmic approximations under various settings: atomic, bounded size interventions and generalized cost objectives.

The decentralized and privacy-preserving nature of federated learning (FL) makes it vulnerable to backdoor attacks aiming to manipulate the behavior of the resulting model on specific adversary-chosen inputs. However, most existing defenses based on statistical differences take effect only against specific attacks, especially when the malicious gradients are similar to benign ones or the data are highly non-independent and identically distributed (non-IID). In this paper, we revisit the distance-based defense methods and discover that i) Euclidean distance becomes meaningless in high dimensions and ii) malicious gradients with diverse characteristics cannot be identified by a single metric. To this end, we present a simple yet effective defense strategy with multi-metrics and dynamic weighting to identify backdoors adaptively. Furthermore, our novel defense has no reliance on predefined assumptions over attack settings or data distributions and little impact on benign performance. To evaluate the effectiveness of our approach, we conduct comprehensive experiments on different datasets under various attack settings, where our method achieves the best defensive performance. For instance, we achieve the lowest backdoor accuracy of 3.06% under the difficult Edge-case PGD, showing significant superiority over previous defenses. The results also demonstrate that our method can be well-adapted to a wide range of non-IID degrees without sacrificing the benign performance.

Rapid advancements in artificial intelligence (AI) technology have brought about a plethora of new challenges in terms of governance and regulation. AI systems are being integrated into various industries and sectors, creating a demand from decision-makers to possess a comprehensive and nuanced understanding of the capabilities and limitations of these systems. One critical aspect of this demand is the ability to explain the results of machine learning models, which is crucial to promoting transparency and trust in AI systems, as well as fundamental in helping machine learning models to be trained ethically. In this paper, we present novel metrics to quantify the degree of which AI model predictions can be easily explainable by its features. Our metrics summarize different aspects of explainability into scalars, providing a more comprehensive understanding of model predictions and facilitating communication between decision-makers and stakeholders, thereby increasing the overall transparency and accountability of AI systems.

Weather forecasting is one of the cornerstones of meteorological work. In this paper, we present a new benchmark dataset named Weather2K, which aims to make up for the deficiencies of existing weather forecasting datasets in terms of real-time, reliability, and diversity, as well as the key bottleneck of data quality. To be specific, our Weather2K is featured from the following aspects: 1) Reliable and real-time data. The data is hourly collected from 2,130 ground weather stations covering an area of 6 million square kilometers. 2) Multivariate meteorological variables. 20 meteorological factors and 3 constants for position information are provided with a length of 40,896 time steps. 3) Applicable to diverse tasks. We conduct a set of baseline tests on time series forecasting and spatio-temporal forecasting. To the best of our knowledge, our Weather2K is the first attempt to tackle weather forecasting task by taking full advantage of the strengths of observation data from ground weather stations. Based on Weather2K, we further propose Meteorological Factors based Multi-Graph Convolution Network (MFMGCN), which can effectively construct the intrinsic correlation among geographic locations based on meteorological factors. Sufficient experiments show that MFMGCN improves both the forecasting performance and temporal robustness. We hope our Weather2K can significantly motivate researchers to develop efficient and accurate algorithms to advance the task of weather forecasting. The dataset can be available at https://github.com/bycnfz/weather2k/.

IoU losses are surrogates that directly optimize the Jaccard index. In semantic segmentation, leveraging IoU losses as part of the loss function is shown to perform better with respect to the Jaccard index measure than optimizing pixel-wise losses such as the cross-entropy loss alone. The most notable IoU losses are the soft Jaccard loss and the Lovasz-Softmax loss. However, these losses are incompatible with soft labels which are ubiquitous in machine learning. In this paper, we propose Jaccard metric losses (JMLs), which are identical to the soft Jaccard loss in a standard setting with hard labels, but are compatible with soft labels. With JMLs, we study two of the most popular use cases of soft labels: label smoothing and knowledge distillation. With a variety of architectures, our experiments show significant improvements over the cross-entropy loss on three semantic segmentation datasets (Cityscapes, PASCAL VOC and DeepGlobe Land), and our simple approach outperforms state-of-the-art knowledge distillation methods by a large margin. Code is available at: https://github.com/zifuwanggg/JDTLosses{https://github.com/zifuwanggg/JDTLosses}.

Unsupervised denoising is a crucial challenge in real-world imaging applications. Unsupervised deep-learning methods have demonstrated impressive performance on benchmarks based on synthetic noise. However, no metrics are available to evaluate these methods in an unsupervised fashion. This is highly problematic for the many practical applications where ground-truth clean images are not available. In this work, we propose two novel metrics: the unsupervised mean squared error (MSE) and the unsupervised peak signal-to-noise ratio (PSNR), which are computed using only noisy data. We provide a theoretical analysis of these metrics, showing that they are asymptotically consistent estimators of the supervised MSE and PSNR. Controlled numerical experiments with synthetic noise confirm that they provide accurate approximations in practice. We validate our approach on real-world data from two imaging modalities: videos in raw format and transmission electron microscopy. Our results demonstrate that the proposed metrics enable unsupervised evaluation of denoising methods based exclusively on noisy data.

There is extensive interest in metric learning methods for image retrieval. Many metric learning loss functions focus on learning a correct ranking of training samples, but strongly overfit semantically inconsistent labels and require a large amount of data. To address these shortcomings, we propose a new metric learning method, called contextual loss, which optimizes contextual similarity in addition to cosine similarity. Our contextual loss implicitly enforces semantic consistency among neighbors while converging to the correct ranking. We empirically show that the proposed loss is more robust to label noise, and is less prone to overfitting even when a large portion of train data is withheld. Extensive experiments demonstrate that our method achieves a new state-of-the-art across four image retrieval benchmarks and multiple different evaluation settings. Code is available at: https://github.com/Chris210634/metric-learning-using-contextual-similarity

With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on material design.

Few images on the Web receive alt-text descriptions that would make them accessible to blind and low vision (BLV) users. Image-based NLG systems have progressed to the point where they can begin to address this persistent societal problem, but these systems will not be fully successful unless we evaluate them on metrics that guide their development correctly. Here, we argue against current referenceless metrics -- those that don't rely on human-generated ground-truth descriptions -- on the grounds that they do not align with the needs of BLV users. The fundamental shortcoming of these metrics is that they do not take context into account, whereas contextual information is highly valued by BLV users. To substantiate these claims, we present a study with BLV participants who rated descriptions along a variety of dimensions. An in-depth analysis reveals that the lack of context-awareness makes current referenceless metrics inadequate for advancing image accessibility. As a proof-of-concept, we provide a contextual version of the referenceless metric CLIPScore which begins to address the disconnect to the BLV data. An accessible HTML version of this paper is available at https://elisakreiss.github.io/contextual-description-evaluation/paper/reflessmetrics.html

Face reconstruction and tracking is a building block of numerous applications in AR/VR, human-machine interaction, as well as medical applications. Most of these applications rely on a metrically correct prediction of the shape, especially, when the reconstructed subject is put into a metrical context (i.e., when there is a reference object of known size). A metrical reconstruction is also needed for any application that measures distances and dimensions of the subject (e.g., to virtually fit a glasses frame). State-of-the-art methods for face reconstruction from a single image are trained on large 2D image datasets in a self-supervised fashion. However, due to the nature of a perspective projection they are not able to reconstruct the actual face dimensions, and even predicting the average human face outperforms some of these methods in a metrical sense. To learn the actual shape of a face, we argue for a supervised training scheme. Since there exists no large-scale 3D dataset for this task, we annotated and unified small- and medium-scale databases. The resulting unified dataset is still a medium-scale dataset with more than 2k identities and training purely on it would lead to overfitting. To this end, we take advantage of a face recognition network pretrained on a large-scale 2D image dataset, which provides distinct features for different faces and is robust to expression, illumination, and camera changes. Using these features, we train our face shape estimator in a supervised fashion, inheriting the robustness and generalization of the face recognition network. Our method, which we call MICA (MetrIC fAce), outperforms the state-of-the-art reconstruction methods by a large margin, both on current non-metric benchmarks as well as on our metric benchmarks (15% and 24% lower average error on NoW, respectively).

Automatic metrics are essential for developing natural language generation (NLG) models, particularly for open-ended language generation tasks such as story generation. However, existing automatic metrics are observed to correlate poorly with human evaluation. The lack of standardized benchmark datasets makes it difficult to fully evaluate the capabilities of a metric and fairly compare different metrics. Therefore, we propose OpenMEVA, a benchmark for evaluating open-ended story generation metrics. OpenMEVA provides a comprehensive test suite to assess the capabilities of metrics, including (a) the correlation with human judgments, (b) the generalization to different model outputs and datasets, (c) the ability to judge story coherence, and (d) the robustness to perturbations. To this end, OpenMEVA includes both manually annotated stories and auto-constructed test examples. We evaluate existing metrics on OpenMEVA and observe that they have poor correlation with human judgments, fail to recognize discourse-level incoherence, and lack inferential knowledge (e.g., causal order between events), the generalization ability and robustness. Our study presents insights for developing NLG models and metrics in further research.

Creating photorealistic materials for light transport algorithms requires carefully fine-tuning a set of material properties to achieve a desired artistic effect. This is typically a lengthy process that involves a trained artist with specialized knowledge. In this work, we present a technique that aims to empower novice and intermediate-level users to synthesize high-quality photorealistic materials by only requiring basic image processing knowledge. In the proposed workflow, the user starts with an input image and applies a few intuitive transforms (e.g., colorization, image inpainting) within a 2D image editor of their choice, and in the next step, our technique produces a photorealistic result that approximates this target image. Our method combines the advantages of a neural network-augmented optimizer and an encoder neural network to produce high-quality output results within 30 seconds. We also demonstrate that it is resilient against poorly-edited target images and propose a simple extension to predict image sequences with a strict time budget of 1-2 seconds per image.

In this paper, we propose a new measure to gauge the complexity of image classification problems. Given an annotated image dataset, our method computes a complexity measure called the cumulative spectral gradient (CSG) which strongly correlates with the test accuracy of convolutional neural networks (CNN). The CSG measure is derived from the probabilistic divergence between classes in a spectral clustering framework. We show that this metric correlates with the overall separability of the dataset and thus its inherent complexity. As will be shown, our metric can be used for dataset reduction, to assess which classes are more difficult to disentangle, and approximate the accuracy one could expect to get with a CNN. Results obtained on 11 datasets and three CNN models reveal that our method is more accurate and faster than previous complexity measures.

Deep metric learning, which learns discriminative features to process image clustering and retrieval tasks, has attracted extensive attention in recent years. A number of deep metric learning methods, which ensure that similar examples are mapped close to each other and dissimilar examples are mapped farther apart, have been proposed to construct effective structures for loss functions and have shown promising results. In this paper, different from the approaches on learning the loss structures, we propose a robust SNR distance metric based on Signal-to-Noise Ratio (SNR) for measuring the similarity of image pairs for deep metric learning. By exploring the properties of our SNR distance metric from the view of geometry space and statistical theory, we analyze the properties of our metric and show that it can preserve the semantic similarity between image pairs, which well justify its suitability for deep metric learning. Compared with Euclidean distance metric, our SNR distance metric can further jointly reduce the intra-class distances and enlarge the inter-class distances for learned features. Leveraging our SNR distance metric, we propose Deep SNR-based Metric Learning (DSML) to generate discriminative feature embeddings. By extensive experiments on three widely adopted benchmarks, including CARS196, CUB200-2011 and CIFAR10, our DSML has shown its superiority over other state-of-the-art methods. Additionally, we extend our SNR distance metric to deep hashing learning, and conduct experiments on two benchmarks, including CIFAR10 and NUS-WIDE, to demonstrate the effectiveness and generality of our SNR distance metric.

Unintended bias in Machine Learning can manifest as systemic differences in performance for different demographic groups, potentially compounding existing challenges to fairness in society at large. In this paper, we introduce a suite of threshold-agnostic metrics that provide a nuanced view of this unintended bias, by considering the various ways that a classifier's score distribution can vary across designated groups. We also introduce a large new test set of online comments with crowd-sourced annotations for identity references. We use this to show how our metrics can be used to find new and potentially subtle unintended bias in existing public models.

Deep metric learning has been widely applied in many computer vision tasks, and recently, it is more attractive in zero-shot image retrieval and clustering(ZSRC) where a good embedding is requested such that the unseen classes can be distinguished well. Most existing works deem this 'good' embedding just to be the discriminative one and thus race to devise powerful metric objectives or hard-sample mining strategies for leaning discriminative embedding. However, in this paper, we first emphasize that the generalization ability is a core ingredient of this 'good' embedding as well and largely affects the metric performance in zero-shot settings as a matter of fact. Then, we propose the Energy Confused Adversarial Metric Learning(ECAML) framework to explicitly optimize a robust metric. It is mainly achieved by introducing an interesting Energy Confusion regularization term, which daringly breaks away from the traditional metric learning idea of discriminative objective devising, and seeks to 'confuse' the learned model so as to encourage its generalization ability by reducing overfitting on the seen classes. We train this confusion term together with the conventional metric objective in an adversarial manner. Although it seems weird to 'confuse' the network, we show that our ECAML indeed serves as an efficient regularization technique for metric learning and is applicable to various conventional metric methods. This paper empirically and experimentally demonstrates the importance of learning embedding with good generalization, achieving state-of-the-art performances on the popular CUB, CARS, Stanford Online Products and In-Shop datasets for ZSRC tasks. \textcolor[rgb]{1, 0, 0}{Code available at http://www.bhchen.cn/}.

We present a learning-based system for rapid mass-scale material synthesis that is useful for novice and expert users alike. The user preferences are learned via Gaussian Process Regression and can be easily sampled for new recommendations. Typically, each recommendation takes 40-60 seconds to render with global illumination, which makes this process impracticable for real-world workflows. Our neural network eliminates this bottleneck by providing high-quality image predictions in real time, after which it is possible to pick the desired materials from a gallery and assign them to a scene in an intuitive manner. Workflow timings against Disney's "principled" shader reveal that our system scales well with the number of sought materials, thus empowering even novice users to generate hundreds of high-quality material models without any expertise in material modeling. Similarly, expert users experience a significant decrease in the total modeling time when populating a scene with materials. Furthermore, our proposed solution also offers controllable recommendations and a novel latent space variant generation step to enable the real-time fine-tuning of materials without requiring any domain expertise.

Product recommendation systems are important for major movie studios during the movie greenlight process and as part of machine learning personalization pipelines. Collaborative Filtering (CF) models have proved to be effective at powering recommender systems for online streaming services with explicit customer feedback data. CF models do not perform well in scenarios in which feedback data is not available, in cold start situations like new product launches, and situations with markedly different customer tiers (e.g., high frequency customers vs. casual customers). Generative natural language models that create useful theme-based representations of an underlying corpus of documents can be used to represent new product descriptions, like new movie plots. When combined with CF, they have shown to increase the performance in cold start situations. Outside of those cases though in which explicit customer feedback is available, recommender engines must rely on binary purchase data, which materially degrades performance. Fortunately, purchase data can be combined with product descriptions to generate meaningful representations of products and customer trajectories in a convenient product space in which proximity represents similarity. Learning to measure the distance between points in this space can be accomplished with a deep neural network that trains on customer histories and on dense vectorizations of product descriptions. We developed a system based on Collaborative (Deep) Metric Learning (CML) to predict the purchase probabilities of new theatrical releases. We trained and evaluated the model using a large dataset of customer histories, and tested the model for a set of movies that were released outside of the training window. Initial experiments show gains relative to models that do not train on collaborative preferences.

Image-generating machine learning models are typically trained with loss functions based on distance in the image space. This often leads to over-smoothed results. We propose a class of loss functions, which we call deep perceptual similarity metrics (DeePSiM), that mitigate this problem. Instead of computing distances in the image space, we compute distances between image features extracted by deep neural networks. This metric better reflects perceptually similarity of images and thus leads to better results. We show three applications: autoencoder training, a modification of a variational autoencoder, and inversion of deep convolutional networks. In all cases, the generated images look sharp and resemble natural images.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

Normalization layers are one of the key building blocks for deep neural networks. Several theoretical studies have shown that batch normalization improves the signal propagation, by avoiding the representations from becoming collinear across the layers. However, results on mean-field theory of batch normalization also conclude that this benefit comes at the expense of exploding gradients in depth. Motivated by these two aspects of batch normalization, in this study we pose the following question: "Can a batch-normalized network keep the optimal signal propagation properties, but avoid exploding gradients?" We answer this question in the affirmative by giving a particular construction of an Multi-Layer Perceptron (MLP) with linear activations and batch-normalization that provably has bounded gradients at any depth. Based on Weingarten calculus, we develop a rigorous and non-asymptotic theory for this constructed MLP that gives a precise characterization of forward signal propagation, while proving that gradients remain bounded for linearly independent input samples, which holds in most practical settings. Inspired by our theory, we also design an activation shaping scheme that empirically achieves the same properties for certain non-linear activations.

Reinforcement learning (RL)-based fine-tuning has become a crucial step in post-training language models for advanced mathematical reasoning and coding. Following the success of frontier reasoning models, recent work has demonstrated that RL fine-tuning consistently improves performance, even in smaller-scale models; however, the underlying mechanisms driving these improvements are not well-understood. Understanding the effects of RL fine-tuning requires disentangling its interaction with pretraining data composition, hyperparameters, and model scale, but such problems are exacerbated by the lack of transparency regarding the training data used in many existing models. In this work, we present a systematic end-to-end study of RL fine-tuning for mathematical reasoning by training models entirely from scratch on different mixtures of fully open datasets. We investigate the effects of various RL fine-tuning algorithms (PPO, GRPO, and Expert Iteration) across models of different scales. Our study reveals that RL algorithms consistently converge towards a dominant output distribution, amplifying patterns in the pretraining data. We also find that models of different scales trained on the same data mixture will converge to distinct output distributions, suggesting that there are scale-dependent biases in model generalization. Moreover, we find that RL post-training on simpler questions can lead to performance gains on harder ones, indicating that certain reasoning capabilities generalize across tasks. Our findings show that small-scale proxies in controlled settings can elicit interesting insights regarding the role of RL in shaping language model behavior.

Recently, there has been growing evidence that if the width and depth of a neural network are scaled toward the so-called rich feature learning limit (muP and its depth extension), then some hyperparameters - such as the learning rate - exhibit transfer from small to very large models, thus reducing the cost of hyperparameter tuning. From an optimization perspective, this phenomenon is puzzling, as it implies that the loss landscape is remarkably consistent across very different model sizes. In this work, we find empirical evidence that learning rate transfer can be attributed to the fact that under muP and its depth extension, the largest eigenvalue of the training loss Hessian (i.e. the sharpness) is largely independent of the width and depth of the network for a sustained period of training time. On the other hand, we show that under the neural tangent kernel (NTK) regime, the sharpness exhibits very different dynamics at different scales, thus preventing learning rate transfer. But what causes these differences in the sharpness dynamics? Through a connection between the spectra of the Hessian and the NTK matrix, we argue that the cause lies in the presence (for muP) or progressive absence (for the NTK regime) of feature learning, which results in a different evolution of the NTK, and thus of the sharpness. We corroborate our claims with a substantial suite of experiments, covering a wide range of datasets and architectures: from ResNets and Vision Transformers trained on benchmark vision datasets to Transformers-based language models trained on WikiText