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Jul 29

Nebula: Self-Attention for Dynamic Malware Analysis

Dynamic analysis enables detecting Windows malware by executing programs in a controlled environment and logging their actions. Previous work has proposed training machine learning models, i.e., convolutional and long short-term memory networks, on homogeneous input features like runtime APIs to either detect or classify malware, neglecting other relevant information coming from heterogeneous data like network and file operations. To overcome these issues, we introduce Nebula, a versatile, self-attention Transformer-based neural architecture that generalizes across different behavioral representations and formats, combining diverse information from dynamic log reports. Nebula is composed by several components needed to tokenize, filter, normalize and encode data to feed the transformer architecture. We firstly perform a comprehensive ablation study to evaluate their impact on the performance of the whole system, highlighting which components can be used as-is, and which must be enriched with specific domain knowledge. We perform extensive experiments on both malware detection and classification tasks, using three datasets acquired from different dynamic analyses platforms, show that, on average, Nebula outperforms state-of-the-art models at low false positive rates, with a peak of 12% improvement. Moreover, we showcase how self-supervised learning pre-training matches the performance of fully-supervised models with only 20% of training data, and we inspect the output of Nebula through explainable AI techniques, pinpointing how attention is focusing on specific tokens correlated to malicious activities of malware families. To foster reproducibility, we open-source our findings and models at https://github.com/dtrizna/nebula.

Empowering LLM to use Smartphone for Intelligent Task Automation

Mobile task automation is an attractive technique that aims to enable voice-based hands-free user interaction with smartphones. However, existing approaches suffer from poor scalability due to the limited language understanding ability and the non-trivial manual efforts required from developers or end-users. The recent advance of large language models (LLMs) in language understanding and reasoning inspires us to rethink the problem from a model-centric perspective, where task preparation, comprehension, and execution are handled by a unified language model. In this work, we introduce AutoDroid, a mobile task automation system that can handle arbitrary tasks on any Android application without manual efforts. The key insight is to combine the commonsense knowledge of LLMs and domain-specific knowledge of apps through automated dynamic analysis. The main components include a functionality-aware UI representation method that bridges the UI with the LLM, exploration-based memory injection techniques that augment the app-specific domain knowledge of LLM, and a multi-granularity query optimization module that reduces the cost of model inference. We integrate AutoDroid with off-the-shelf LLMs including online GPT-4/GPT-3.5 and on-device Vicuna, and evaluate its performance on a new benchmark for memory-augmented Android task automation with 158 common tasks. The results demonstrated that AutoDroid is able to precisely generate actions with an accuracy of 90.9%, and complete tasks with a success rate of 71.3%, outperforming the GPT-4-powered baselines by 36.4% and 39.7%. The demo, benchmark suites, and source code of AutoDroid will be released at url{https://autodroid-sys.github.io/}.

Quo Vadis: Hybrid Machine Learning Meta-Model based on Contextual and Behavioral Malware Representations

We propose a hybrid machine learning architecture that simultaneously employs multiple deep learning models analyzing contextual and behavioral characteristics of Windows portable executable, producing a final prediction based on a decision from the meta-model. The detection heuristic in contemporary machine learning Windows malware classifiers is typically based on the static properties of the sample since dynamic analysis through virtualization is challenging for vast quantities of samples. To surpass this limitation, we employ a Windows kernel emulation that allows the acquisition of behavioral patterns across large corpora with minimal temporal and computational costs. We partner with a security vendor for a collection of more than 100k int-the-wild samples that resemble the contemporary threat landscape, containing raw PE files and filepaths of applications at the moment of execution. The acquired dataset is at least ten folds larger than reported in related works on behavioral malware analysis. Files in the training dataset are labeled by a professional threat intelligence team, utilizing manual and automated reverse engineering tools. We estimate the hybrid classifier's operational utility by collecting an out-of-sample test set three months later from the acquisition of the training set. We report an improved detection rate, above the capabilities of the current state-of-the-art model, especially under low false-positive requirements. Additionally, we uncover a meta-model's ability to identify malicious activity in validation and test sets even if none of the individual models express enough confidence to mark the sample as malevolent. We conclude that the meta-model can learn patterns typical to malicious samples from representation combinations produced by different analysis techniques. We publicly release pre-trained models and anonymized dataset of emulation reports.

Bridging Code Semantic and LLMs: Semantic Chain-of-Thought Prompting for Code Generation

Large language models (LLMs) have showcased remarkable prowess in code generation. However, automated code generation is still challenging since it requires a high-level semantic mapping between natural language requirements and codes. Most existing LLMs-based approaches for code generation rely on decoder-only causal language models often treate codes merely as plain text tokens, i.e., feeding the requirements as a prompt input, and outputing code as flat sequence of tokens, potentially missing the rich semantic features inherent in source code. To bridge this gap, this paper proposes the "Semantic Chain-of-Thought" approach to intruduce semantic information of code, named SeCoT. Our motivation is that the semantic information of the source code (\eg data flow and control flow) describes more precise program execution behavior, intention and function. By guiding LLM consider and integrate semantic information, we can achieve a more granular understanding and representation of code, enhancing code generation accuracy. Meanwhile, while traditional techniques leveraging such semantic information require complex static or dynamic code analysis to obtain features such as data flow and control flow, SeCoT demonstrates that this process can be fully automated via the intrinsic capabilities of LLMs (i.e., in-context learning), while being generalizable and applicable to challenging domains. While SeCoT can be applied with different LLMs, this paper focuses on the powerful GPT-style models: ChatGPT(close-source model) and WizardCoder(open-source model). The experimental study on three popular DL benchmarks (i.e., HumanEval, HumanEval-ET and MBPP) shows that SeCoT can achieves state-of-the-art performance, greatly improving the potential for large models and code generation.

Temporal Context Awareness: A Defense Framework Against Multi-turn Manipulation Attacks on Large Language Models

Large Language Models (LLMs) are increasingly vulnerable to sophisticated multi-turn manipulation attacks, where adversaries strategically build context through seemingly benign conversational turns to circumvent safety measures and elicit harmful or unauthorized responses. These attacks exploit the temporal nature of dialogue to evade single-turn detection methods, representing a critical security vulnerability with significant implications for real-world deployments. This paper introduces the Temporal Context Awareness (TCA) framework, a novel defense mechanism designed to address this challenge by continuously analyzing semantic drift, cross-turn intention consistency and evolving conversational patterns. The TCA framework integrates dynamic context embedding analysis, cross-turn consistency verification, and progressive risk scoring to detect and mitigate manipulation attempts effectively. Preliminary evaluations on simulated adversarial scenarios demonstrate the framework's potential to identify subtle manipulation patterns often missed by traditional detection techniques, offering a much-needed layer of security for conversational AI systems. In addition to outlining the design of TCA , we analyze diverse attack vectors and their progression across multi-turn conversation, providing valuable insights into adversarial tactics and their impact on LLM vulnerabilities. Our findings underscore the pressing need for robust, context-aware defenses in conversational AI systems and highlight TCA framework as a promising direction for securing LLMs while preserving their utility in legitimate applications. We make our implementation available to support further research in this emerging area of AI security.

Dynamic Modeling and Vibration Analysis of Large Deployable Mesh Reflectors

Large deployable mesh reflectors are essential for space applications, providing precise reflecting surfaces for high-gain antennas used in satellite communications, Earth observation, and deep-space missions. During on-orbit missions, active shape adjustment and attitude control are crucial for maintaining surface accuracy and proper orientation for these reflectors, ensuring optimal performance. Preventing resonance through thorough dynamic modeling and vibration analysis is vital to avoid structural damage and ensure stability and reliability. Existing dynamic modeling approaches, such as wave and finite element methods, often fail to accurately predict dynamic responses due to the limited capability of handling three-dimensional reflectors or the oversimplification of cable members of a reflector. This paper proposes the Cartesian spatial discretization method for dynamic modeling and vibration analysis of cable-network structures in large deployable mesh reflectors. This method defines cable member positions as a summation of internal and boundary-induced terms within a global Cartesian coordinate system. Numerical simulation on a two-dimensional cable-network structure and a center-feed mesh reflector demonstrates the superiority of the proposed method over traditional approaches, highlighting its accuracy and versatility, and establishing it as a robust tool for analyzing three-dimensional complex reflector configurations.

Attention-based Dynamic Subspace Learners for Medical Image Analysis

Learning similarity is a key aspect in medical image analysis, particularly in recommendation systems or in uncovering the interpretation of anatomical data in images. Most existing methods learn such similarities in the embedding space over image sets using a single metric learner. Images, however, have a variety of object attributes such as color, shape, or artifacts. Encoding such attributes using a single metric learner is inadequate and may fail to generalize. Instead, multiple learners could focus on separate aspects of these attributes in subspaces of an overarching embedding. This, however, implies the number of learners to be found empirically for each new dataset. This work, Dynamic Subspace Learners, proposes to dynamically exploit multiple learners by removing the need of knowing apriori the number of learners and aggregating new subspace learners during training. Furthermore, the visual interpretability of such subspace learning is enforced by integrating an attention module into our method. This integrated attention mechanism provides a visual insight of discriminative image features that contribute to the clustering of image sets and a visual explanation of the embedding features. The benefits of our attention-based dynamic subspace learners are evaluated in the application of image clustering, image retrieval, and weakly supervised segmentation. Our method achieves competitive results with the performances of multiple learners baselines and significantly outperforms the classification network in terms of clustering and retrieval scores on three different public benchmark datasets. Moreover, our attention maps offer a proxy-labels, which improves the segmentation accuracy up to 15% in Dice scores when compared to state-of-the-art interpretation techniques.

DVPT: Dynamic Visual Prompt Tuning of Large Pre-trained Models for Medical Image Analysis

Limited labeled data makes it hard to train models from scratch in medical domain, and an important paradigm is pre-training and then fine-tuning. Large pre-trained models contain rich representations, which can be adapted to downstream medical tasks. However, existing methods either tune all the parameters or the task-specific layers of the pre-trained models, ignoring the input variations of medical images, and thus they are not efficient or effective. In this work, we aim to study parameter-efficient fine-tuning (PEFT) for medical image analysis, and propose a dynamic visual prompt tuning method, named DVPT. It can extract knowledge beneficial to downstream tasks from large models with a few trainable parameters. Firstly, the frozen features are transformed by an lightweight bottleneck layer to learn the domain-specific distribution of downstream medical tasks, and then a few learnable visual prompts are used as dynamic queries and then conduct cross-attention with the transformed features, attempting to acquire sample-specific knowledge that are suitable for each sample. Finally, the features are projected to original feature dimension and aggregated with the frozen features. This DVPT module can be shared between different Transformer layers, further reducing the trainable parameters. To validate DVPT, we conduct extensive experiments with different pre-trained models on medical classification and segmentation tasks. We find such PEFT method can not only efficiently adapt the pre-trained models to the medical domain, but also brings data efficiency with partial labeled data. For example, with 0.5\% extra trainable parameters, our method not only outperforms state-of-the-art PEFT methods, even surpasses the full fine-tuning by more than 2.20\% Kappa score on medical classification task. It can saves up to 60\% labeled data and 99\% storage cost of ViT-B/16.

Dynamic Planning for LLM-based Graphical User Interface Automation

The advent of large language models (LLMs) has spurred considerable interest in advancing autonomous LLMs-based agents, particularly in intriguing applications within smartphone graphical user interfaces (GUIs). When presented with a task goal, these agents typically emulate human actions within a GUI environment until the task is completed. However, a key challenge lies in devising effective plans to guide action prediction in GUI tasks, though planning have been widely recognized as effective for decomposing complex tasks into a series of steps. Specifically, given the dynamic nature of environmental GUIs following action execution, it is crucial to dynamically adapt plans based on environmental feedback and action history.We show that the widely-used ReAct approach fails due to the excessively long historical dialogues. To address this challenge, we propose a novel approach called Dynamic Planning of Thoughts (D-PoT) for LLM-based GUI agents.D-PoT involves the dynamic adjustment of planning based on the environmental feedback and execution history. Experimental results reveal that the proposed D-PoT significantly surpassed the strong GPT-4V baseline by +12.7% (34.66% rightarrow 47.36%) in accuracy. The analysis highlights the generality of dynamic planning in different backbone LLMs, as well as the benefits in mitigating hallucinations and adapting to unseen tasks. Code is available at https://github.com/sqzhang-lazy/D-PoT.

Dynamic Evaluation of Large Language Models by Meta Probing Agents

Evaluation of large language models (LLMs) has raised great concerns in the community due to the issue of data contamination. Existing work designed evaluation protocols using well-defined algorithms for specific tasks, which cannot be easily extended to diverse scenarios. Moreover, current evaluation benchmarks can only provide the overall benchmark results and cannot support a fine-grained and multifaceted analysis of LLMs' abilities. In this paper, we propose meta probing agents (MPA), a general dynamic evaluation protocol inspired by psychometrics to evaluate LLMs. MPA is the key component of DyVal 2, which naturally extends the previous DyVal~zhu2023dyval. MPA designs the probing and judging agents to automatically transform an original evaluation problem into a new one following psychometric theory on three basic cognitive abilities: language understanding, problem solving, and domain knowledge. These basic abilities are also dynamically configurable, allowing multifaceted analysis. We conducted extensive evaluations using MPA and found that most LLMs achieve poorer performance, indicating room for improvement. Our multifaceted analysis demonstrated the strong correlation between the basic abilities and an implicit Matthew effect on model size, i.e., larger models possess stronger correlations of the abilities. MPA can also be used as a data augmentation approach to enhance LLMs. Code is available at: https://github.com/microsoft/promptbench.

DynaMath: A Dynamic Visual Benchmark for Evaluating Mathematical Reasoning Robustness of Vision Language Models

The rapid advancements in Vision-Language Models (VLMs) have shown great potential in tackling mathematical reasoning tasks that involve visual context. Unlike humans who can reliably apply solution steps to similar problems with minor modifications, we found that SOTA VLMs like GPT-4o can consistently fail in these scenarios, revealing limitations in their mathematical reasoning capabilities. In this paper, we investigate the mathematical reasoning robustness in VLMs and evaluate how well these models perform under different variants of the same question, such as changes in visual numerical values or function graphs. While several vision-based math benchmarks have been developed to assess VLMs' problem-solving capabilities, these benchmarks contain only static sets of problems and cannot easily evaluate mathematical reasoning robustness. To fill this gap, we introduce DynaMath, a dynamic visual math benchmark designed for in-depth assessment of VLMs. DynaMath includes 501 high-quality, multi-topic seed questions, each represented as a Python program. Those programs are carefully designed and annotated to enable the automatic generation of a much larger set of concrete questions, including many different types of visual and textual variations. DynaMath allows us to evaluate the generalization ability of VLMs, by assessing their performance under varying input conditions of a seed question. We evaluated 14 SOTA VLMs with 5,010 generated concrete questions. Our results show that the worst-case model accuracy, defined as the percentage of correctly answered seed questions in all 10 variants, is significantly lower than the average-case accuracy. Our analysis emphasizes the need to study the robustness of VLMs' reasoning abilities, and DynaMath provides valuable insights to guide the development of more reliable models for mathematical reasoning.

SCBench: A KV Cache-Centric Analysis of Long-Context Methods

Long-context LLMs have enabled numerous downstream applications but also introduced significant challenges related to computational and memory efficiency. To address these challenges, optimizations for long-context inference have been developed, centered around the KV cache. However, existing benchmarks often evaluate in single-request, neglecting the full lifecycle of the KV cache in real-world use. This oversight is particularly critical, as KV cache reuse has become widely adopted in LLMs inference frameworks, such as vLLM and SGLang, as well as by LLM providers, including OpenAI, Microsoft, Google, and Anthropic. To address this gap, we introduce SCBench(SharedContextBench), a comprehensive benchmark for evaluating long-context methods from a KV cachecentric perspective: 1) KV cache generation, 2) KV cache compression, 3) KV cache retrieval, 4) KV cache loading. Specifically, SCBench uses test examples with shared context, ranging 12 tasks with two shared context modes, covering four categories of long-context capabilities: string retrieval, semantic retrieval, global information, and multi-task. With it, we provide an extensive KV cache-centric analysis of eight categories long-context solutions, including Gated Linear RNNs, Mamba-Attention hybrids, and efficient methods such as sparse attention, KV cache dropping, quantization, retrieval, loading, and prompt compression. The evaluation is conducted on 8 long-context LLMs. Our findings show that sub-O(n) memory methods suffer in multi-turn scenarios, while sparse encoding with O(n) memory and sub-O(n^2) pre-filling computation perform robustly. Dynamic sparsity yields more expressive KV caches than static patterns, and layer-level sparsity in hybrid architectures reduces memory usage with strong performance. Additionally, we identify attention distribution shift issues in long-generation scenarios. https://aka.ms/SCBench.

Dynamic real-time risk analytics of uncontrollable states in complex internet of things systems, cyber risk at the edge

The Internet of Things (IoT) triggers new types of cyber risks. Therefore, the integration of new IoT devices and services requires a self-assessment of IoT cyber security posture. By security posture this article refers to the cybersecurity strength of an organisation to predict, prevent and respond to cyberthreats. At present, there is a gap in the state of the art, because there are no self-assessment methods for quantifying IoT cyber risk posture. To address this gap, an empirical analysis is performed of 12 cyber risk assessment approaches. The results and the main findings from the analysis is presented as the current and a target risk state for IoT systems, followed by conclusions and recommendations on a transformation roadmap, describing how IoT systems can achieve the target state with a new goal-oriented dependency model. By target state, we refer to the cyber security target that matches the generic security requirements of an organisation. The research paper studies and adapts four alternatives for IoT risk assessment and identifies the goal-oriented dependency modelling as a dominant approach among the risk assessment models studied. The new goal-oriented dependency model in this article enables the assessment of uncontrollable risk states in complex IoT systems and can be used for a quantitative self-assessment of IoT cyber risk posture.

Teaching Language Models to Evolve with Users: Dynamic Profile Modeling for Personalized Alignment

Personalized alignment is essential for enabling large language models (LLMs) to engage effectively in user-centric dialogue. While recent prompt-based and offline optimization methods offer preliminary solutions, they fall short in cold-start scenarios and long-term personalization due to their inherently static and shallow designs. In this work, we introduce the Reinforcement Learning for Personalized Alignment (RLPA) framework, in which an LLM interacts with a simulated user model to iteratively infer and refine user profiles through dialogue. The training process is guided by a dual-level reward structure: the Profile Reward encourages accurate construction of user representations, while the Response Reward incentivizes generation of responses consistent with the inferred profile. We instantiate RLPA by fine-tuning Qwen-2.5-3B-Instruct, resulting in Qwen-RLPA, which achieves state-of-the-art performance in personalized dialogue. Empirical evaluations demonstrate that Qwen-RLPA consistently outperforms prompting and offline fine-tuning baselines, and even surpasses advanced commercial models such as Claude-3.5 and GPT-4o. Further analysis highlights Qwen-RLPA's robustness in reconciling conflicting user preferences, sustaining long-term personalization and delivering more efficient inference compared to recent reasoning-focused LLMs. These results emphasize the potential of dynamic profile inference as a more effective paradigm for building personalized dialogue systems.

MACPruning: Dynamic Operation Pruning to Mitigate Side-Channel DNN Model Extraction

As deep learning gains popularity, edge IoT devices have seen proliferating deployment of pre-trained Deep Neural Network (DNN) models. These DNNs represent valuable intellectual property and face significant confidentiality threats from side-channel analysis (SCA), particularly non-invasive Differential Electromagnetic (EM) Analysis (DEMA), which retrieves individual model parameters from EM traces collected during model inference. Traditional SCA mitigation methods, such as masking and shuffling, can still be applied to DNN inference, but will incur significant performance degradation due to the large volume of operations and parameters. Based on the insight that DNN models have high redundancy and are robust to input variation, we introduce MACPruning, a novel lightweight defense against DEMA-based parameter extraction attacks, exploiting specific characteristics of DNN execution. The design principle of MACPruning is to randomly deactivate input pixels and prune the operations (typically multiply-accumulate-MAC) on those pixels. The technique removes certain leakages and overall redistributes weight-dependent EM leakages temporally, and thus effectively mitigates DEMA. To maintain DNN performance, we propose an importance-aware pixel map that preserves critical input pixels, keeping randomness in the defense while minimizing its impact on DNN performance due to operation pruning. We conduct a comprehensive security analysis of MACPruning on various datasets for DNNs on edge devices. Our evaluations demonstrate that MACPruning effectively reduces EM leakages with minimal impact on the model accuracy and negligible computational overhead.

Harder Tasks Need More Experts: Dynamic Routing in MoE Models

In this paper, we introduce a novel dynamic expert selection framework for Mixture of Experts (MoE) models, aiming to enhance computational efficiency and model performance by adjusting the number of activated experts based on input difficulty. Unlike traditional MoE approaches that rely on fixed Top-K routing, which activates a predetermined number of experts regardless of the input's complexity, our method dynamically selects experts based on the confidence level in expert selection for each input. This allows for a more efficient utilization of computational resources, activating more experts for complex tasks requiring advanced reasoning and fewer for simpler tasks. Through extensive evaluations, our dynamic routing method demonstrates substantial improvements over conventional Top-2 routing across various benchmarks, achieving an average improvement of 0.7% with less than 90% activated parameters. Further analysis shows our model dispatches more experts to tasks requiring complex reasoning skills, like BBH, confirming its ability to dynamically allocate computational resources in alignment with the input's complexity. Our findings also highlight a variation in the number of experts needed across different layers of the transformer model, offering insights into the potential for designing heterogeneous MoE frameworks. The code and models are available at https://github.com/ZhenweiAn/Dynamic_MoE.

Learning dynamic representations of the functional connectome in neurobiological networks

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

DyCL: Dynamic Neural Network Compilation Via Program Rewriting and Graph Optimization

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.

RED-PSM: Regularization by Denoising of Partially Separable Models for Dynamic Imaging

Dynamic imaging addresses the recovery of a time-varying 2D or 3D object at each time instant using its undersampled measurements. In particular, in the case of dynamic tomography, only a single projection at a single view angle may be available at a time, making the problem severely ill-posed. In this work, we propose an approach, RED-PSM, which combines for the first time two powerful techniques to address this challenging imaging problem. The first, are partially separable models, which have been used to efficiently introduce a low-rank prior for the spatio-temporal object. The second is the recent Regularization by Denoising (RED), which provides a flexible framework to exploit the impressive performance of state-of-the-art image denoising algorithms, for various inverse problems. We propose a partially separable objective with RED and a computationally efficient and scalable optimization scheme with variable splitting and ADMM. Theoretical analysis proves the convergence of our objective to a value corresponding to a stationary point satisfying the first-order optimality conditions. Convergence is accelerated by a particular projection-domain-based initialization. We demonstrate the performance and computational improvements of our proposed RED-PSM with a learned image denoiser by comparing it to a recent deep-prior-based method known as TD-DIP. Although the main focus is on dynamic tomography, we also show the performance advantages of RED-PSM in a cardiac dynamic MRI setting.

A Comparative Analysis of Static Word Embeddings for Hungarian

This paper presents a comprehensive analysis of various static word embeddings for Hungarian, including traditional models such as Word2Vec, FastText, as well as static embeddings derived from BERT-based models using different extraction methods. We evaluate these embeddings on both intrinsic and extrinsic tasks to provide a holistic view of their performance. For intrinsic evaluation, we employ a word analogy task, which assesses the embeddings ability to capture semantic and syntactic relationships. Our results indicate that traditional static embeddings, particularly FastText, excel in this task, achieving high accuracy and mean reciprocal rank (MRR) scores. Among the BERT-based models, the X2Static method for extracting static embeddings demonstrates superior performance compared to decontextualized and aggregate methods, approaching the effectiveness of traditional static embeddings. For extrinsic evaluation, we utilize a bidirectional LSTM model to perform Named Entity Recognition (NER) and Part-of-Speech (POS) tagging tasks. The results reveal that embeddings derived from dynamic models, especially those extracted using the X2Static method, outperform purely static embeddings. Notably, ELMo embeddings achieve the highest accuracy in both NER and POS tagging tasks, underscoring the benefits of contextualized representations even when used in a static form. Our findings highlight the continued relevance of static word embeddings in NLP applications and the potential of advanced extraction methods to enhance the utility of BERT-based models. This piece of research contributes to the understanding of embedding performance in the Hungarian language and provides valuable insights for future developments in the field. The training scripts, evaluation codes, restricted vocabulary, and extracted embeddings will be made publicly available to support further research and reproducibility.

A Deep Reinforcement Learning Framework for Dynamic Portfolio Optimization: Evidence from China's Stock Market

Artificial intelligence is transforming financial investment decision-making frameworks, with deep reinforcement learning demonstrating substantial potential in robo-advisory applications. This paper addresses the limitations of traditional portfolio optimization methods in dynamic asset weight adjustment through the development of a deep reinforcement learning-based dynamic optimization model grounded in practical trading processes. The research advances two key innovations: first, the introduction of a novel Sharpe ratio reward function engineered for Actor-Critic deep reinforcement learning algorithms, which ensures stable convergence during training while consistently achieving positive average Sharpe ratios; second, the development of an innovative comprehensive approach to portfolio optimization utilizing deep reinforcement learning, which significantly enhances model optimization capability through the integration of random sampling strategies during training with image-based deep neural network architectures for multi-dimensional financial time series data processing, average Sharpe ratio reward functions, and deep reinforcement learning algorithms. The empirical analysis validates the model using randomly selected constituent stocks from the CSI 300 Index, benchmarking against established financial econometric optimization models. Backtesting results demonstrate the model's efficacy in optimizing portfolio allocation and mitigating investment risk, yielding superior comprehensive performance metrics.

PRES: Toward Scalable Memory-Based Dynamic Graph Neural Networks

Memory-based Dynamic Graph Neural Networks (MDGNNs) are a family of dynamic graph neural networks that leverage a memory module to extract, distill, and memorize long-term temporal dependencies, leading to superior performance compared to memory-less counterparts. However, training MDGNNs faces the challenge of handling entangled temporal and structural dependencies, requiring sequential and chronological processing of data sequences to capture accurate temporal patterns. During the batch training, the temporal data points within the same batch will be processed in parallel, while their temporal dependencies are neglected. This issue is referred to as temporal discontinuity and restricts the effective temporal batch size, limiting data parallelism and reducing MDGNNs' flexibility in industrial applications. This paper studies the efficient training of MDGNNs at scale, focusing on the temporal discontinuity in training MDGNNs with large temporal batch sizes. We first conduct a theoretical study on the impact of temporal batch size on the convergence of MDGNN training. Based on the analysis, we propose PRES, an iterative prediction-correction scheme combined with a memory coherence learning objective to mitigate the effect of temporal discontinuity, enabling MDGNNs to be trained with significantly larger temporal batches without sacrificing generalization performance. Experimental results demonstrate that our approach enables up to a 4x larger temporal batch (3.4x speed-up) during MDGNN training.

Establishing Trustworthy LLM Evaluation via Shortcut Neuron Analysis

The development of large language models (LLMs) depends on trustworthy evaluation. However, most current evaluations rely on public benchmarks, which are prone to data contamination issues that significantly compromise fairness. Previous researches have focused on constructing dynamic benchmarks to address contamination. However, continuously building new benchmarks is costly and cyclical. In this work, we aim to tackle contamination by analyzing the mechanisms of contaminated models themselves. Through our experiments, we discover that the overestimation of contaminated models is likely due to parameters acquiring shortcut solutions in training. We further propose a novel method for identifying shortcut neurons through comparative and causal analysis. Building on this, we introduce an evaluation method called shortcut neuron patching to suppress shortcut neurons. Experiments validate the effectiveness of our approach in mitigating contamination. Additionally, our evaluation results exhibit a strong linear correlation with MixEval, a recently released trustworthy benchmark, achieving a Spearman coefficient (rho) exceeding 0.95. This high correlation indicates that our method closely reveals true capabilities of the models and is trustworthy. We conduct further experiments to demonstrate the generalizability of our method across various benchmarks and hyperparameter settings. Code: https://github.com/GaryStack/Trustworthy-Evaluation

AndroidWorld: A Dynamic Benchmarking Environment for Autonomous Agents

Autonomous agents that execute human tasks by controlling computers can enhance human productivity and application accessibility. Yet, progress in this field will be driven by realistic and reproducible benchmarks. We present AndroidWorld, a fully functioning Android environment that provides reward signals for 116 programmatic task workflows across 20 real world Android applications. Unlike existing interactive environments, which provide a static test set, AndroidWorld dynamically constructs tasks that are parameterized and expressed in natural language in unlimited ways, thus enabling testing on a much larger and realistic suite of tasks. Reward signals are derived from the computer's system state, making them durable across task variations and extensible across different apps. To demonstrate AndroidWorld's benefits and mode of operation, we introduce a new computer control agent, M3A. M3A can complete 30.6% of the AndroidWorld's tasks, leaving ample room for future work. Furthermore, we adapt a popular desktop web agent to work on Android, which we find to be less effective on mobile, suggesting future research is needed to achieve universal, cross-domain agents. Finally, we conduct a robustness analysis by testing M3A against a range of task variations on a representative subset of tasks, demonstrating that variations in task parameters can significantly alter the complexity of a task and therefore an agent's performance, highlighting the importance of testing agents under diverse conditions. AndroidWorld and the experiments in this paper are available at https://github.com/google-research/android_world.

Dynamic Constrained Submodular Optimization with Polylogarithmic Update Time

Maximizing a monotone submodular function under cardinality constraint k is a core problem in machine learning and database with many basic applications, including video and data summarization, recommendation systems, feature extraction, exemplar clustering, and coverage problems. We study this classic problem in the fully dynamic model where a stream of insertions and deletions of elements of an underlying ground set is given and the goal is to maintain an approximate solution using a fast update time. A recent paper at NeurIPS'20 by Lattanzi, Mitrovic, Norouzi{-}Fard, Tarnawski, Zadimoghaddam claims to obtain a dynamic algorithm for this problem with a 1{2} -epsilon approximation ratio and a query complexity bounded by poly(log(n),log(k),epsilon^{-1}). However, as we explain in this paper, the analysis has some important gaps. Having a dynamic algorithm for the problem with polylogarithmic update time is even more important in light of a recent result by Chen and Peng at STOC'22 who show a matching lower bound for the problem -- any randomized algorithm with a 1{2}+epsilon approximation ratio must have an amortized query complexity that is polynomial in n. In this paper, we develop a simpler algorithm for the problem that maintains a (1{2}-epsilon)-approximate solution for submodular maximization under cardinality constraint k using a polylogarithmic amortized update time.

PanoSent: A Panoptic Sextuple Extraction Benchmark for Multimodal Conversational Aspect-based Sentiment Analysis

While existing Aspect-based Sentiment Analysis (ABSA) has received extensive effort and advancement, there are still gaps in defining a more holistic research target seamlessly integrating multimodality, conversation context, fine-granularity, and also covering the changing sentiment dynamics as well as cognitive causal rationales. This paper bridges the gaps by introducing a multimodal conversational ABSA, where two novel subtasks are proposed: 1) Panoptic Sentiment Sextuple Extraction, panoramically recognizing holder, target, aspect, opinion, sentiment, rationale from multi-turn multi-party multimodal dialogue. 2) Sentiment Flipping Analysis, detecting the dynamic sentiment transformation throughout the conversation with the causal reasons. To benchmark the tasks, we construct PanoSent, a dataset annotated both manually and automatically, featuring high quality, large scale, multimodality, multilingualism, multi-scenarios, and covering both implicit and explicit sentiment elements. To effectively address the tasks, we devise a novel Chain-of-Sentiment reasoning framework, together with a novel multimodal large language model (namely Sentica) and a paraphrase-based verification mechanism. Extensive evaluations demonstrate the superiority of our methods over strong baselines, validating the efficacy of all our proposed methods. The work is expected to open up a new era for the ABSA community, and thus all our codes and data are open at https://PanoSent.github.io/

Quadratic Time-Frequency Analysis of Vibration Signals for Diagnosing Bearing Faults

Diagnosis of bearing faults is paramount to reducing maintenance costs and operational breakdowns. Bearing faults are primary contributors to machine vibrations, and analyzing their signal morphology offers insights into their health status. Unfortunately, existing approaches are optimized for controlled environments, neglecting realistic conditions such as time-varying rotational speeds and the vibration's non-stationary nature. This paper presents a fusion of time-frequency analysis and deep learning techniques to diagnose bearing faults under time-varying speeds and varying noise levels. First, we formulate the bearing fault-induced vibrations and discuss the link between their non-stationarity and the bearing's inherent and operational parameters. We also elucidate quadratic time-frequency distributions and validate their effectiveness in resolving distinctive dynamic patterns associated with different bearing faults. Based on this, we design a time-frequency convolutional neural network (TF-CNN) to diagnose various faults in rolling-element bearings. Our experimental findings undeniably demonstrate the superior performance of TF-CNN in comparison to recently developed techniques. They also assert its versatility in capturing fault-relevant non-stationary features that couple with speed changes and show its exceptional resilience to noise, consistently surpassing competing methods across various signal-to-noise ratios and performance metrics. Altogether, the TF-CNN achieves substantial accuracy improvements up to 15%, in severe noise conditions.

VolSegGS: Segmentation and Tracking in Dynamic Volumetric Scenes via Deformable 3D Gaussians

Visualization of large-scale time-dependent simulation data is crucial for domain scientists to analyze complex phenomena, but it demands significant I/O bandwidth, storage, and computational resources. To enable effective visualization on local, low-end machines, recent advances in view synthesis techniques, such as neural radiance fields, utilize neural networks to generate novel visualizations for volumetric scenes. However, these methods focus on reconstruction quality rather than facilitating interactive visualization exploration, such as feature extraction and tracking. We introduce VolSegGS, a novel Gaussian splatting framework that supports interactive segmentation and tracking in dynamic volumetric scenes for exploratory visualization and analysis. Our approach utilizes deformable 3D Gaussians to represent a dynamic volumetric scene, allowing for real-time novel view synthesis. For accurate segmentation, we leverage the view-independent colors of Gaussians for coarse-level segmentation and refine the results with an affinity field network for fine-level segmentation. Additionally, by embedding segmentation results within the Gaussians, we ensure that their deformation enables continuous tracking of segmented regions over time. We demonstrate the effectiveness of VolSegGS with several time-varying datasets and compare our solutions against state-of-the-art methods. With the ability to interact with a dynamic scene in real time and provide flexible segmentation and tracking capabilities, VolSegGS offers a powerful solution under low computational demands. This framework unlocks exciting new possibilities for time-varying volumetric data analysis and visualization.

Review, Refine, Repeat: Understanding Iterative Decoding of AI Agents with Dynamic Evaluation and Selection

While AI agents have shown remarkable performance at various tasks, they still struggle with complex multi-modal applications, structured generation and strategic planning. Improvements via standard fine-tuning is often impractical, as solving agentic tasks usually relies on black box API access without control over model parameters. Inference-time methods such as Best-of-N (BON) sampling offer a simple yet effective alternative to improve performance. However, BON lacks iterative feedback integration mechanism. Hence, we propose Iterative Agent Decoding (IAD) which combines iterative refinement with dynamic candidate evaluation and selection guided by a verifier. IAD differs in how feedback is designed and integrated, specifically optimized to extract maximal signal from reward scores. We conduct a detailed comparison of baselines across key metrics on Sketch2Code, Text2SQL, and Webshop where IAD consistently outperforms baselines, achieving 3--6% absolute gains on Sketch2Code and Text2SQL (with and without LLM judges) and 8--10% gains on Webshop across multiple metrics. To better understand the source of IAD's gains, we perform controlled experiments to disentangle the effect of adaptive feedback from stochastic sampling, and find that IAD's improvements are primarily driven by verifier-guided refinement, not merely sampling diversity. We also show that both IAD and BON exhibit inference-time scaling with increased compute when guided by an optimal verifier. Our analysis highlights the critical role of verifier quality in effective inference-time optimization and examines the impact of noisy and sparse rewards on scaling behavior. Together, these findings offer key insights into the trade-offs and principles of effective inference-time optimization.

Permissive Information-Flow Analysis for Large Language Models

Large Language Models (LLMs) are rapidly becoming commodity components of larger software systems. This poses natural security and privacy problems: poisoned data retrieved from one component can change the model's behavior and compromise the entire system, including coercing the model to spread confidential data to untrusted components. One promising approach is to tackle this problem at the system level via dynamic information flow (aka taint) tracking. Unfortunately, the traditional approach of propagating the most restrictive input label to the output is too conservative for applications where LLMs operate on inputs retrieved from diverse sources. In this paper, we propose a novel, more permissive approach to propagate information flow labels through LLM queries. The key idea behind our approach is to propagate only the labels of the samples that were influential in generating the model output and to eliminate the labels of unnecessary input. We implement and investigate the effectiveness of two variations of this approach, based on (i) prompt-based retrieval augmentation, and (ii) a k-nearest-neighbors language model. We compare these with the baseline of an introspection-based influence estimator that directly asks the language model to predict the output label. The results obtained highlight the superiority of our prompt-based label propagator, which improves the label in more than 85% of the cases in an LLM agent setting. These findings underscore the practicality of permissive label propagation for retrieval augmentation.

Temporal Graph Analysis with TGX

Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely designed for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.

SALOVA: Segment-Augmented Long Video Assistant for Targeted Retrieval and Routing in Long-Form Video Analysis

Despite advances in Large Multi-modal Models, applying them to long and untrimmed video content remains challenging due to limitations in context length and substantial memory overhead. These constraints often lead to significant information loss and reduced relevance in the model responses. With the exponential growth of video data across web platforms, understanding long-form video is crucial for advancing generalized intelligence. In this paper, we introduce SALOVA: Segment-Augmented LOng Video Assistant, a novel video-LLM framework designed to enhance the comprehension of lengthy video content through targeted retrieval process. We address two main challenges to achieve it: (i) We present the SceneWalk dataset, a high-quality collection of 87.8K long videos, each densely captioned at the segment level to enable models to capture scene continuity and maintain rich descriptive context. (ii) We develop robust architectural designs integrating dynamic routing mechanism and spatio-temporal projector to efficiently retrieve and process relevant video segments based on user queries. Our framework mitigates the limitations of current video-LMMs by allowing for precise identification and retrieval of relevant video segments in response to queries, thereby improving the contextual relevance of the generated responses. Through extensive experiments, SALOVA demonstrates enhanced capability in processing complex long-form videos, showing significant capability to maintain contextual integrity across extended sequences.

Robust Depth Linear Error Decomposition with Double Total Variation and Nuclear Norm for Dynamic MRI Reconstruction

Compressed Sensing (CS) significantly speeds up Magnetic Resonance Image (MRI) processing and achieves accurate MRI reconstruction from under-sampled k-space data. According to the current research, there are still several problems with dynamic MRI k-space reconstruction based on CS. 1) There are differences between the Fourier domain and the Image domain, and the differences between MRI processing of different domains need to be considered. 2) As three-dimensional data, dynamic MRI has its spatial-temporal characteristics, which need to calculate the difference and consistency of surface textures while preserving structural integrity and uniqueness. 3) Dynamic MRI reconstruction is time-consuming and computationally resource-dependent. In this paper, we propose a novel robust low-rank dynamic MRI reconstruction optimization model via highly under-sampled and Discrete Fourier Transform (DFT) called the Robust Depth Linear Error Decomposition Model (RDLEDM). Our method mainly includes linear decomposition, double Total Variation (TV), and double Nuclear Norm (NN) regularizations. By adding linear image domain error analysis, the noise is reduced after under-sampled and DFT processing, and the anti-interference ability of the algorithm is enhanced. Double TV and NN regularizations can utilize both spatial-temporal characteristics and explore the complementary relationship between different dimensions in dynamic MRI sequences. In addition, Due to the non-smoothness and non-convexity of TV and NN terms, it is difficult to optimize the unified objective model. To address this issue, we utilize a fast algorithm by solving a primal-dual form of the original problem. Compared with five state-of-the-art methods, extensive experiments on dynamic MRI data demonstrate the superior performance of the proposed method in terms of both reconstruction accuracy and time complexity.

LAMDA: A Longitudinal Android Malware Benchmark for Concept Drift Analysis

Machine learning (ML)-based malware detection systems often fail to account for the dynamic nature of real-world training and test data distributions. In practice, these distributions evolve due to frequent changes in the Android ecosystem, adversarial development of new malware families, and the continuous emergence of both benign and malicious applications. Prior studies have shown that such concept drift -- distributional shifts in benign and malicious samples, leads to significant degradation in detection performance over time. Despite the practical importance of this issue, existing datasets are often outdated and limited in temporal scope, diversity of malware families, and sample scale, making them insufficient for the systematic evaluation of concept drift in malware detection. To address this gap, we present LAMDA, the largest and most temporally diverse Android malware benchmark to date, designed specifically for concept drift analysis. LAMDA spans 12 years (2013-2025, excluding 2015), includes over 1 million samples (approximately 37% labeled as malware), and covers 1,380 malware families and 150,000 singleton samples, reflecting the natural distribution and evolution of real-world Android applications. We empirically demonstrate LAMDA's utility by quantifying the performance degradation of standard ML models over time and analyzing feature stability across years. As the most comprehensive Android malware dataset to date, LAMDA enables in-depth research into temporal drift, generalization, explainability, and evolving detection challenges. The dataset and code are available at: https://iqsec-lab.github.io/LAMDA/.

Understanding and Improving Transformer From a Multi-Particle Dynamic System Point of View

The Transformer architecture is widely used in natural language processing. Despite its success, the design principle of the Transformer remains elusive. In this paper, we provide a novel perspective towards understanding the architecture: we show that the Transformer can be mathematically interpreted as a numerical Ordinary Differential Equation (ODE) solver for a convection-diffusion equation in a multi-particle dynamic system. In particular, how words in a sentence are abstracted into contexts by passing through the layers of the Transformer can be interpreted as approximating multiple particles' movement in the space using the Lie-Trotter splitting scheme and the Euler's method. Given this ODE's perspective, the rich literature of numerical analysis can be brought to guide us in designing effective structures beyond the Transformer. As an example, we propose to replace the Lie-Trotter splitting scheme by the Strang-Marchuk splitting scheme, a scheme that is more commonly used and with much lower local truncation errors. The Strang-Marchuk splitting scheme suggests that the self-attention and position-wise feed-forward network (FFN) sub-layers should not be treated equally. Instead, in each layer, two position-wise FFN sub-layers should be used, and the self-attention sub-layer is placed in between. This leads to a brand new architecture. Such an FFN-attention-FFN layer is "Macaron-like", and thus we call the network with this new architecture the Macaron Net. Through extensive experiments, we show that the Macaron Net is superior to the Transformer on both supervised and unsupervised learning tasks. The reproducible codes and pretrained models can be found at https://github.com/zhuohan123/macaron-net

Efficient Self-Supervised Learning for Earth Observation via Dynamic Dataset Curation

Self-supervised learning (SSL) has enabled the development of vision foundation models for Earth Observation (EO), demonstrating strong transferability across diverse remote sensing tasks. While prior work has focused on network architectures and training strategies, the role of dataset curation, especially in balancing and diversifying pre-training datasets, remains underexplored. In EO, this challenge is amplified by the redundancy and heavy-tailed distributions common in satellite imagery, which can lead to biased representations and inefficient training. In this work, we propose a dynamic dataset pruning strategy designed to improve SSL pre-training by maximizing dataset diversity and balance. Our method iteratively refines the training set without requiring a pre-existing feature extractor, making it well-suited for domains where curated datasets are limited or unavailable. We demonstrate our approach on the Sentinel-1 Wave Mode (WV) Synthetic Aperture Radar (SAR) archive, a challenging dataset dominated by ocean observations. We train models from scratch on the entire Sentinel-1 WV archive spanning 10 years. Across three downstream tasks, our results show that dynamic pruning improves both computational efficiency and representation quality, leading to stronger transferability. We also release the weights of Nereus-SAR-1, the first model in the Nereus family, a series of foundation models for ocean observation and analysis using SAR imagery, at github.com/galeio-research/nereus-sar-models/.

A Differentially Private Kaplan-Meier Estimator for Privacy-Preserving Survival Analysis

This paper presents a differentially private approach to Kaplan-Meier estimation that achieves accurate survival probability estimates while safeguarding individual privacy. The Kaplan-Meier estimator is widely used in survival analysis to estimate survival functions over time, yet applying it to sensitive datasets, such as clinical records, risks revealing private information. To address this, we introduce a novel algorithm that applies time-indexed Laplace noise, dynamic clipping, and smoothing to produce a privacy-preserving survival curve while maintaining the cumulative structure of the Kaplan-Meier estimator. By scaling noise over time, the algorithm accounts for decreasing sensitivity as fewer individuals remain at risk, while dynamic clipping and smoothing prevent extreme values and reduce fluctuations, preserving the natural shape of the survival curve. Our results, evaluated on the NCCTG lung cancer dataset, show that the proposed method effectively lowers root mean squared error (RMSE) and enhances accuracy across privacy budgets (epsilon). At epsilon = 10, the algorithm achieves an RMSE as low as 0.04, closely approximating non-private estimates. Additionally, membership inference attacks reveal that higher epsilon values (e.g., epsilon geq 6) significantly reduce influential points, particularly at higher thresholds, lowering susceptibility to inference attacks. These findings confirm that our approach balances privacy and utility, advancing privacy-preserving survival analysis.

The Fine Line: Navigating Large Language Model Pretraining with Down-streaming Capability Analysis

Uncovering early-stage metrics that reflect final model performance is one core principle for large-scale pretraining. The existing scaling law demonstrates the power-law correlation between pretraining loss and training flops, which serves as an important indicator of the current training state for large language models. However, this principle only focuses on the model's compression properties on the training data, resulting in an inconsistency with the ability improvements on the downstream tasks. Some follow-up works attempted to extend the scaling-law to more complex metrics (such as hyperparameters), but still lacked a comprehensive analysis of the dynamic differences among various capabilities during pretraining. To address the aforementioned limitations, this paper undertakes a comprehensive comparison of model capabilities at various pretraining intermediate checkpoints. Through this analysis, we confirm that specific downstream metrics exhibit similar training dynamics across models of different sizes, up to 67 billion parameters. In addition to our core findings, we've reproduced Amber and OpenLLaMA, releasing their intermediate checkpoints. This initiative offers valuable resources to the research community and facilitates the verification and exploration of LLM pretraining by open-source researchers. Besides, we provide empirical summaries, including performance comparisons of different models and capabilities, and tuition of key metrics for different training phases. Based on these findings, we provide a more user-friendly strategy for evaluating the optimization state, offering guidance for establishing a stable pretraining process.

Exploring Hallucination of Large Multimodal Models in Video Understanding: Benchmark, Analysis and Mitigation

The hallucination of large multimodal models (LMMs), providing responses that appear correct but are actually incorrect, limits their reliability and applicability. This paper aims to study the hallucination problem of LMMs in video modality, which is dynamic and more challenging compared to static modalities like images and text. From this motivation, we first present a comprehensive benchmark termed HAVEN for evaluating hallucinations of LMMs in video understanding tasks. It is built upon three dimensions, i.e., hallucination causes, hallucination aspects, and question formats, resulting in 6K questions. Then, we quantitatively study 7 influential factors on hallucinations, e.g., duration time of videos, model sizes, and model reasoning, via experiments of 16 LMMs on the presented benchmark. In addition, inspired by recent thinking models like OpenAI o1, we propose a video-thinking model to mitigate the hallucinations of LMMs via supervised reasoning fine-tuning (SRFT) and direct preference optimization (TDPO)-- where SRFT enhances reasoning capabilities while TDPO reduces hallucinations in the thinking process. Extensive experiments and analyses demonstrate the effectiveness. Remarkably, it improves the baseline by 7.65% in accuracy on hallucination evaluation and reduces the bias score by 4.5%. The code and data are public at https://github.com/Hongcheng-Gao/HAVEN.

Computation-Efficient Era: A Comprehensive Survey of State Space Models in Medical Image Analysis

Sequence modeling plays a vital role across various domains, with recurrent neural networks being historically the predominant method of performing these tasks. However, the emergence of transformers has altered this paradigm due to their superior performance. Built upon these advances, transformers have conjoined CNNs as two leading foundational models for learning visual representations. However, transformers are hindered by the O(N^2) complexity of their attention mechanisms, while CNNs lack global receptive fields and dynamic weight allocation. State Space Models (SSMs), specifically the \textbf{Mamba} model with selection mechanisms and hardware-aware architecture, have garnered immense interest lately in sequential modeling and visual representation learning, challenging the dominance of transformers by providing infinite context lengths and offering substantial efficiency maintaining linear complexity in the input sequence. Capitalizing on the advances in computer vision, medical imaging has heralded a new epoch with Mamba models. Intending to help researchers navigate the surge, this survey seeks to offer an encyclopedic review of Mamba models in medical imaging. Specifically, we start with a comprehensive theoretical review forming the basis of SSMs, including Mamba architecture and its alternatives for sequence modeling paradigms in this context. Next, we offer a structured classification of Mamba models in the medical field and introduce a diverse categorization scheme based on their application, imaging modalities, and targeted organs. Finally, we summarize key challenges, discuss different future research directions of the SSMs in the medical domain, and propose several directions to fulfill the demands of this field. In addition, we have compiled the studies discussed in this paper along with their open-source implementations on our GitHub repository.

GAIA: A Global, Multi-modal, Multi-scale Vision-Language Dataset for Remote Sensing Image Analysis

The continuous operation of Earth-orbiting satellites generates vast and ever-growing archives of Remote Sensing (RS) images. Natural language presents an intuitive interface for accessing, querying, and interpreting the data from such archives. However, existing Vision-Language Models (VLMs) are predominantly trained on web-scraped, noisy image-text data, exhibiting limited exposure to the specialized domain of RS. This deficiency results in poor performance on RS-specific tasks, as commonly used datasets often lack detailed, scientifically accurate textual descriptions and instead emphasize solely on attributes like date and location. To bridge this critical gap, we introduce GAIA, a novel dataset designed for multi-scale, multi-sensor, and multi-modal RS image analysis. GAIA comprises of 205,150 meticulously curated RS image-text pairs, representing a diverse range of RS modalities associated to different spatial resolutions. Unlike existing vision-language datasets in RS, GAIA specifically focuses on capturing a diverse range of RS applications, providing unique information about environmental changes, natural disasters, and various other dynamic phenomena. The dataset provides a spatially and temporally balanced distribution, spanning across the globe, covering the last 25 years with a balanced temporal distribution of observations. GAIA's construction involved a two-stage process: (1) targeted web-scraping of images and accompanying text from reputable RS-related sources, and (2) generation of five high-quality, scientifically grounded synthetic captions for each image using carefully crafted prompts that leverage the advanced vision-language capabilities of GPT-4o. Our extensive experiments, including fine-tuning of CLIP and BLIP2 models, demonstrate that GAIA significantly improves performance on RS image classification, cross-modal retrieval and image captioning tasks.

Divide-and-Conquer Meets Consensus: Unleashing the Power of Functions in Code Generation

Despite recent progress made by large language models in code generation, they still struggle with programs that meet complex requirements. Recent work utilizes plan-and-solve decomposition to decrease the complexity and leverage self-tests to refine the generated program. Yet, planning deep-inside requirements in advance can be challenging, and the tests need to be accurate to accomplish self-improvement. To this end, we propose FunCoder, a code generation framework incorporating the divide-and-conquer strategy with functional consensus. Specifically, FunCoder recursively branches off sub-functions as smaller goals during code generation, represented by a tree hierarchy. These sub-functions are then composited to attain more complex objectives. Additionally, we designate functions via a consensus formed by identifying similarities in program behavior, mitigating error propagation. FunCoder outperforms state-of-the-art methods by +9.8% on average in HumanEval, MBPP, xCodeEval and MATH with GPT-3.5 and GPT-4. Moreover, our method demonstrates superiority on smaller models: With FunCoder, StableCode-3b surpasses GPT-3.5 by +18.6% and achieves 97.7% of GPT-4's performance on HumanEval. Further analysis reveals that our proposed dynamic function decomposition is capable of handling complex requirements, and the functional consensus prevails over self-testing in correctness evaluation.

Multi-mode Pulsations in AGB Stars: Insights from 3D RHD CO5BOLD Simulations

Stars on the AGB can exhibit acoustic pulsation modes of different radial orders, along with non-radial modes. These pulsations are essential to the mass-loss process and influence the evolutionary pathways of AGB stars. P-L relations serve as a valuable diagnostic for understanding stellar evolution along the AGB. 3D RHD simulations provide a powerful tool for investigating pulsation phenomena driven by convective processes and their non-linear coupling with stellar oscillations. We investigate multi-mode pulsations in AGB stars using advanced 3D 'star-in-a-box' simulations with the CO5BOLD code. Signatures of these multi-mode pulsations were weak in our previous 3D models. Our focus is on identifying and characterising the various pulsation modes, examining their persistence and transitions, and comparing the results with 1D model predictions and observational data where applicable. We produced a new model grid comprising AGB stars with current masses of 0.7, 0.8, and 1,M_{odot}. Fourier analysis was applied to dynamic, time-dependent quantities to extract dominant pulsation modes and their corresponding periods. Additionally, wavelet transforms were employed to identify mode-switching behaviour over time. The models successfully reproduce the P-L sequences found in AGB stars. Mode-switching phenomena are found in both the models and wavelet analyses of observational data, allowing us to infer similarities in the underlying pulsation dynamics. These 3D simulations highlight the natural emergence of multi-mode pulsations, including both radial and non-radial modes, driven by the self-consistent interplay of convection and oscillations. Our findings underscore the value of 3D RHD models in capturing the non-linear behaviour of AGB pulsations, providing insights into mode switching, envelope structures, and potential links to episodic mass-loss events.

Optimizing Chain-of-Thought Reasoners via Gradient Variance Minimization in Rejection Sampling and RL

Chain-of-thought (CoT) reasoning in large language models (LLMs) can be formalized as a latent variable problem, where the model needs to generate intermediate reasoning steps. While prior approaches such as iterative reward-ranked fine-tuning (RAFT) have relied on such formulations, they typically apply uniform inference budgets across prompts, which fails to account for variability in difficulty and convergence behavior. This work identifies the main bottleneck in CoT training as inefficient stochastic gradient estimation due to static sampling strategies. We propose GVM-RAFT, a prompt-specific Dynamic Sample Allocation Strategy designed to minimize stochastic gradient variance under a computational budget constraint. The method dynamically allocates computational resources by monitoring prompt acceptance rates and stochastic gradient norms, ensuring that the resulting gradient variance is minimized. Our theoretical analysis shows that the proposed dynamic sampling strategy leads to accelerated convergence guarantees under suitable conditions. Experiments on mathematical reasoning show that GVM-RAFT achieves a 2-4x speedup and considerable accuracy improvements over vanilla RAFT. The proposed dynamic sampling strategy is general and can be incorporated into other reinforcement learning algorithms, such as GRPO, leading to similar improvements in convergence and test accuracy. Our code is available at https://github.com/RLHFlow/GVM.

ALPINE: Unveiling the Planning Capability of Autoregressive Learning in Language Models

In this paper, we present the findings of our Project ALPINE which stands for ``Autoregressive Learning for Planning In NEtworks." Project ALPINE initiates a theoretical investigation into the development of planning capabilities in Transformer-based language models through their autoregressive learning mechanisms, aiming to identify any potential limitations in their planning abilities. We abstract planning as a network path-finding task where the objective is to generate a valid path from a specified source node to a designated target node. In terms of expressiveness, we show that the Transformer is capable of executing path-finding by embedding the adjacency and reachability matrices within its weights. Our theoretical analysis of the gradient-based learning dynamic of the Transformer reveals that the Transformer is capable of learning both the adjacency matrix and a limited form of the reachability matrix. These theoretical insights are then validated through experiments, which demonstrate that the Transformer indeed learns the adjacency matrix and an incomplete reachability matrix, which aligns with the predictions made in our theoretical analysis. Additionally, when applying our methodology to a real-world planning benchmark, called Blocksworld, our observations remain consistent. Our theoretical and empirical analyses further unveil a potential limitation of Transformer in path-finding: it cannot identify reachability relationships through transitivity, and thus would fail when path concatenation is needed to generate a path. In summary, our findings shed new light on how the internal mechanisms of autoregressive learning enable planning in networks. This study may contribute to our understanding of the general planning capabilities in other related domains.

ROVER: A Multi-Season Dataset for Visual SLAM

Robust SLAM is a crucial enabler for autonomous navigation in natural, semi-structured environments such as parks and gardens. However, these environments present unique challenges for SLAM due to frequent seasonal changes, varying light conditions, and dense vegetation. These factors often degrade the performance of visual SLAM algorithms originally developed for structured urban environments. To address this gap, we present ROVER, a comprehensive benchmark dataset tailored for evaluating visual SLAM algorithms under diverse environmental conditions and spatial configurations. We captured the dataset with a robotic platform equipped with monocular, stereo, and RGBD cameras, as well as inertial sensors. It covers 39 recordings across five outdoor locations, collected through all seasons and various lighting scenarios, i.e., day, dusk, and night with and without external lighting. With this novel dataset, we evaluate several traditional and deep learning-based SLAM methods and study their performance in diverse challenging conditions. The results demonstrate that while stereo-inertial and RGBD configurations generally perform better under favorable lighting and moderate vegetation, most SLAM systems perform poorly in low-light and high-vegetation scenarios, particularly during summer and autumn. Our analysis highlights the need for improved adaptability in visual SLAM algorithms for outdoor applications, as current systems struggle with dynamic environmental factors affecting scale, feature extraction, and trajectory consistency. This dataset provides a solid foundation for advancing visual SLAM research in real-world, semi-structured environments, fostering the development of more resilient SLAM systems for long-term outdoor localization and mapping. The dataset and the code of the benchmark are available under https://iis-esslingen.github.io/rover.

Research on Optimizing Real-Time Data Processing in High-Frequency Trading Algorithms using Machine Learning

High-frequency trading (HFT) represents a pivotal and intensely competitive domain within the financial markets. The velocity and accuracy of data processing exert a direct influence on profitability, underscoring the significance of this field. The objective of this work is to optimise the real-time processing of data in high-frequency trading algorithms. The dynamic feature selection mechanism is responsible for monitoring and analysing market data in real time through clustering and feature weight analysis, with the objective of automatically selecting the most relevant features. This process employs an adaptive feature extraction method, which enables the system to respond and adjust its feature set in a timely manner when the data input changes, thus ensuring the efficient utilisation of data. The lightweight neural networks are designed in a modular fashion, comprising fast convolutional layers and pruning techniques that facilitate the expeditious completion of data processing and output prediction. In contrast to conventional deep learning models, the neural network architecture has been specifically designed to minimise the number of parameters and computational complexity, thereby markedly reducing the inference time. The experimental results demonstrate that the model is capable of maintaining consistent performance in the context of varying market conditions, thereby illustrating its advantages in terms of processing speed and revenue enhancement.

RF-DETR Object Detection vs YOLOv12 : A Study of Transformer-based and CNN-based Architectures for Single-Class and Multi-Class Greenfruit Detection in Complex Orchard Environments Under Label Ambiguity

This study conducts a detailed comparison of RF-DETR object detection base model and YOLOv12 object detection model configurations for detecting greenfruits in a complex orchard environment marked by label ambiguity, occlusions, and background blending. A custom dataset was developed featuring both single-class (greenfruit) and multi-class (occluded and non-occluded greenfruits) annotations to assess model performance under dynamic real-world conditions. RF-DETR object detection model, utilizing a DINOv2 backbone and deformable attention, excelled in global context modeling, effectively identifying partially occluded or ambiguous greenfruits. In contrast, YOLOv12 leveraged CNN-based attention for enhanced local feature extraction, optimizing it for computational efficiency and edge deployment. RF-DETR achieved the highest mean Average Precision (mAP50) of 0.9464 in single-class detection, proving its superior ability to localize greenfruits in cluttered scenes. Although YOLOv12N recorded the highest mAP@50:95 of 0.7620, RF-DETR consistently outperformed in complex spatial scenarios. For multi-class detection, RF-DETR led with an mAP@50 of 0.8298, showing its capability to differentiate between occluded and non-occluded fruits, while YOLOv12L scored highest in mAP@50:95 with 0.6622, indicating better classification in detailed occlusion contexts. Training dynamics analysis highlighted RF-DETR's swift convergence, particularly in single-class settings where it plateaued within 10 epochs, demonstrating the efficiency of transformer-based architectures in adapting to dynamic visual data. These findings validate RF-DETR's effectiveness for precision agricultural applications, with YOLOv12 suited for fast-response scenarios. >Index Terms: RF-DETR object detection, YOLOv12, YOLOv13, YOLOv14, YOLOv15, YOLOE, YOLO World, YOLO, You Only Look Once, Roboflow, Detection Transformers, CNNs

ProtAgents: Protein discovery via large language model multi-agent collaborations combining physics and machine learning

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. However, these models frequently focus on specific material objectives or structural properties, limiting their flexibility when incorporating out-of-domain knowledge into the design process or comprehensive data analysis is required. In this study, we introduce ProtAgents, a platform for de novo protein design based on Large Language Models (LLMs), where multiple AI agents with distinct capabilities collaboratively address complex tasks within a dynamic environment. The versatility in agent development allows for expertise in diverse domains, including knowledge retrieval, protein structure analysis, physics-based simulations, and results analysis. The dynamic collaboration between agents, empowered by LLMs, provides a versatile approach to tackling protein design and analysis problems, as demonstrated through diverse examples in this study. The problems of interest encompass designing new proteins, analyzing protein structures and obtaining new first-principles data -- natural vibrational frequencies -- via physics simulations. The concerted effort of the system allows for powerful automated and synergistic design of de novo proteins with targeted mechanical properties. The flexibility in designing the agents, on one hand, and their capacity in autonomous collaboration through the dynamic LLM-based multi-agent environment on the other hand, unleashes great potentials of LLMs in addressing multi-objective materials problems and opens up new avenues for autonomous materials discovery and design.

Solving robust MDPs as a sequence of static RL problems

Designing control policies whose performance level is guaranteed to remain above a given threshold in a span of environments is a critical feature for the adoption of reinforcement learning (RL) in real-world applications. The search for such robust policies is a notoriously difficult problem, related to the so-called dynamic model of transition function uncertainty, where the environment dynamics are allowed to change at each time step. But in practical cases, one is rather interested in robustness to a span of static transition models throughout interaction episodes. The static model is known to be harder to solve than the dynamic one, and seminal algorithms, such as robust value iteration, as well as most recent works on deep robust RL, build upon the dynamic model. In this work, we propose to revisit the static model. We suggest an analysis of why solving the static model under some mild hypotheses is a reasonable endeavor, based on an equivalence with the dynamic model, and formalize the general intuition that robust MDPs can be solved by tackling a series of static problems. We introduce a generic meta-algorithm called IWOCS, which incrementally identifies worst-case transition models so as to guide the search for a robust policy. Discussion on IWOCS sheds light on new ways to decouple policy optimization and adversarial transition functions and opens new perspectives for analysis. We derive a deep RL version of IWOCS and demonstrate it is competitive with state-of-the-art algorithms on classical benchmarks.

PYInfer: Deep Learning Semantic Type Inference for Python Variables

Python type inference is challenging in practice. Due to its dynamic properties and extensive dependencies on third-party libraries without type annotations, the performance of traditional static analysis techniques is limited. Although semantics in source code can help manifest intended usage for variables (thus help infer types), they are usually ignored by existing tools. In this paper, we propose PYInfer, an end-to-end learning-based type inference tool that automatically generates type annotations for Python variables. The key insight is that contextual code semantics is critical in inferring the type for a variable. For each use of a variable, we collect a few tokens within its contextual scope, and design a neural network to predict its type. One challenge is that it is difficult to collect a high-quality human-labeled training dataset for this purpose. To address this issue, we apply an existing static analyzer to generate the ground truth for variables in source code. Our main contribution is a novel approach to statically infer variable types effectively and efficiently. Formulating the type inference as a classification problem, we can handle user-defined types and predict type probabilities for each variable. Our model achieves 91.2% accuracy on classifying 11 basic types in Python and 81.2% accuracy on classifying 500 most common types. Our results substantially outperform the state-of-the-art type annotators. Moreover, PYInfer achieves 5.2X more code coverage and is 187X faster than a state-of-the-art learning-based tool. With similar time consumption, our model annotates 5X more variables than a state-of-the-art static analysis tool. Our model also outperforms a learning-based function-level annotator on annotating types for variables and function arguments. All our tools and datasets are publicly available to facilitate future research in this direction.

Error Classification of Large Language Models on Math Word Problems: A Dynamically Adaptive Framework

Large Language Models (LLMs) have demonstrated remarkable capabilities across various domains. Math Word Problems (MWPs) serve as a crucial benchmark for evaluating LLMs' reasoning abilities. While most research primarily focuses on improving accuracy, it often neglects understanding and addressing the underlying patterns of errors. Current error classification methods rely on static and predefined categories, which limit their ability to capture the full spectrum of error patterns in mathematical reasoning. To enable systematic error analysis, we collect error samples from 15 different LLMs of varying sizes across four distinct MWP datasets using multiple sampling strategies. Based on this extensive collection, we introduce MWPES-300K, a comprehensive dataset containing 304,865 error samples that cover diverse error patterns and reasoning paths. To reduce human bias and enable fine-grained analysis of error patterns, we propose a novel framework for automated dynamic error classification in mathematical reasoning. Experimental results demonstrate that dataset characteristics significantly shape error patterns, which evolve from basic to complex manifestations as model capabilities increase. With deeper insights into error patterns, we propose error-aware prompting that incorporates common error patterns as explicit guidance, leading to significant improvements in mathematical reasoning performance.

Shedding More Light on Robust Classifiers under the lens of Energy-based Models

By reinterpreting a robust discriminative classifier as Energy-based Model (EBM), we offer a new take on the dynamics of adversarial training (AT). Our analysis of the energy landscape during AT reveals that untargeted attacks generate adversarial images much more in-distribution (lower energy) than the original data from the point of view of the model. Conversely, we observe the opposite for targeted attacks. On the ground of our thorough analysis, we present new theoretical and practical results that show how interpreting AT energy dynamics unlocks a better understanding: (1) AT dynamic is governed by three phases and robust overfitting occurs in the third phase with a drastic divergence between natural and adversarial energies (2) by rewriting the loss of TRadeoff-inspired Adversarial DEfense via Surrogate-loss minimization (TRADES) in terms of energies, we show that TRADES implicitly alleviates overfitting by means of aligning the natural energy with the adversarial one (3) we empirically show that all recent state-of-the-art robust classifiers are smoothing the energy landscape and we reconcile a variety of studies about understanding AT and weighting the loss function under the umbrella of EBMs. Motivated by rigorous evidence, we propose Weighted Energy Adversarial Training (WEAT), a novel sample weighting scheme that yields robust accuracy matching the state-of-the-art on multiple benchmarks such as CIFAR-10 and SVHN and going beyond in CIFAR-100 and Tiny-ImageNet. We further show that robust classifiers vary in the intensity and quality of their generative capabilities, and offer a simple method to push this capability, reaching a remarkable Inception Score (IS) and FID using a robust classifier without training for generative modeling. The code to reproduce our results is available at http://github.com/OmnAI-Lab/Robust-Classifiers-under-the-lens-of-EBM/ .

Architectural Backdoors for Within-Batch Data Stealing and Model Inference Manipulation

For nearly a decade the academic community has investigated backdoors in neural networks, primarily focusing on classification tasks where adversaries manipulate the model prediction. While demonstrably malicious, the immediate real-world impact of such prediction-altering attacks has remained unclear. In this paper we introduce a novel and significantly more potent class of backdoors that builds upon recent advancements in architectural backdoors. We demonstrate how these backdoors can be specifically engineered to exploit batched inference, a common technique for hardware utilization, enabling large-scale user data manipulation and theft. By targeting the batching process, these architectural backdoors facilitate information leakage between concurrent user requests and allow attackers to fully control model responses directed at other users within the same batch. In other words, an attacker who can change the model architecture can set and steal model inputs and outputs of other users within the same batch. We show that such attacks are not only feasible but also alarmingly effective, can be readily injected into prevalent model architectures, and represent a truly malicious threat to user privacy and system integrity. Critically, to counteract this new class of vulnerabilities, we propose a deterministic mitigation strategy that provides formal guarantees against this new attack vector, unlike prior work that relied on Large Language Models to find the backdoors. Our mitigation strategy employs a novel Information Flow Control mechanism that analyzes the model graph and proves non-interference between different user inputs within the same batch. Using our mitigation strategy we perform a large scale analysis of models hosted through Hugging Face and find over 200 models that introduce (unintended) information leakage between batch entries due to the use of dynamic quantization.

Did We Miss Something Important? Studying and Exploring Variable-Aware Log Abstraction

Due to the sheer size of software logs, developers rely on automated techniques for log analysis. One of the first and most important steps of automated log analysis is log abstraction, which parses the raw logs into a structured format. Prior log abstraction techniques aim to identify and abstract all the dynamic variables in logs and output a static log template for automated log analysis. However, these abstracted dynamic variables may also contain important information that is useful to different tasks in log analysis. In this paper, we investigate the characteristics of dynamic variables and their importance in practice, and explore the potential of a variable-aware log abstraction technique. Through manual investigations and surveys with practitioners, we find that different categories of dynamic variables record various information that can be important depending on the given tasks, the distinction of dynamic variables in log abstraction can further assist in log analysis. We then propose a deep learning based log abstraction approach, named VALB, which can identify different categories of dynamic variables and preserve the value of specified categories of dynamic variables along with the log templates (i.e., variable-aware log abstraction). Through the evaluation on a widely used log abstraction benchmark, we find that VALB outperforms other state-of-the-art log abstraction techniques on general log abstraction (i.e., when abstracting all the dynamic variables) and also achieves a high variable-aware log abstraction accuracy that further identifies the category of the dynamic variables. Our study highlights the potential of leveraging the important information recorded in the dynamic variables to further improve the process of log analysis.

Self-supervised Video Representation Learning by Uncovering Spatio-temporal Statistics

This paper proposes a novel pretext task to address the self-supervised video representation learning problem. Specifically, given an unlabeled video clip, we compute a series of spatio-temporal statistical summaries, such as the spatial location and dominant direction of the largest motion, the spatial location and dominant color of the largest color diversity along the temporal axis, etc. Then a neural network is built and trained to yield the statistical summaries given the video frames as inputs. In order to alleviate the learning difficulty, we employ several spatial partitioning patterns to encode rough spatial locations instead of exact spatial Cartesian coordinates. Our approach is inspired by the observation that human visual system is sensitive to rapidly changing contents in the visual field, and only needs impressions about rough spatial locations to understand the visual contents. To validate the effectiveness of the proposed approach, we conduct extensive experiments with four 3D backbone networks, i.e., C3D, 3D-ResNet, R(2+1)D and S3D-G. The results show that our approach outperforms the existing approaches across these backbone networks on four downstream video analysis tasks including action recognition, video retrieval, dynamic scene recognition, and action similarity labeling. The source code is publicly available at: https://github.com/laura-wang/video_repres_sts.

LLM-Assisted Proactive Threat Intelligence for Automated Reasoning

Successful defense against dynamically evolving cyber threats requires advanced and sophisticated techniques. This research presents a novel approach to enhance real-time cybersecurity threat detection and response by integrating large language models (LLMs) and Retrieval-Augmented Generation (RAG) systems with continuous threat intelligence feeds. Leveraging recent advancements in LLMs, specifically GPT-4o, and the innovative application of RAG techniques, our approach addresses the limitations of traditional static threat analysis by incorporating dynamic, real-time data sources. We leveraged RAG to get the latest information in real-time for threat intelligence, which is not possible in the existing GPT-4o model. We employ the Patrowl framework to automate the retrieval of diverse cybersecurity threat intelligence feeds, including Common Vulnerabilities and Exposures (CVE), Common Weakness Enumeration (CWE), Exploit Prediction Scoring System (EPSS), and Known Exploited Vulnerabilities (KEV) databases, and integrate these with the all-mpnet-base-v2 model for high-dimensional vector embeddings, stored and queried in Milvus. We demonstrate our system's efficacy through a series of case studies, revealing significant improvements in addressing recently disclosed vulnerabilities, KEVs, and high-EPSS-score CVEs compared to the baseline GPT-4o. This work not only advances the role of LLMs in cybersecurity but also establishes a robust foundation for the development of automated intelligent cyberthreat information management systems, addressing crucial gaps in current cybersecurity practices.

AgentOrchestra: A Hierarchical Multi-Agent Framework for General-Purpose Task Solving

Recent advances in agent systems based on large language models (LLMs) have demonstrated strong capabilities in solving complex tasks. However, most current methods lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. We introduce \projectname, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Inspired by the way a conductor orchestrates a symphony and guided by the principles of extensibility, multimodality, modularity, and coordination, \projectname features a central planning agent that decomposes complex objectives and delegates sub-tasks to a team of specialized agents. Each sub-agent is equipped with general programming and analytical tools, as well as abilities to tackle a wide range of real-world specific tasks, including data analysis, file operations, web navigation, and interactive reasoning in dynamic multimodal environments. \projectname supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmark datasets covering various real-world tasks, searching web pages, reasoning over heterogeneous modalities, etc. Experimental results demonstrate that \projectname consistently outperforms flat-agent and monolithic baselines in task success rate and adaptability. These findings highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

$τ^2$-Bench: Evaluating Conversational Agents in a Dual-Control Environment

Existing benchmarks for conversational AI agents simulate single-control environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in modifying the state of the (shared) world. In order to address this gap, we introduce tau^2-bench, with four key contributions: 1) A novel Telecom dual-control domain modeled as a Dec-POMDP, where both agent and user make use of tools to act in a shared, dynamic environment that tests both agent coordination and communication, 2) A compositional task generator that programmatically creates diverse, verifiable tasks from atomic components, ensuring domain coverage and controlled complexity, 3) A reliable user simulator tightly coupled with the environment, whose behavior is constrained by tools and observable states, improving simulation fidelity, 4) Fine-grained analysis of agent performance through multiple ablations including separating errors arising from reasoning vs communication/coordination. In particular, our experiments show significant performance drops when agents shift from no-user to dual-control, highlighting the challenges of guiding users. Overall, tau^2-bench provides a controlled testbed for agents that must both reason effectively and guide user actions.

DyFraNet: Forecasting and Backcasting Dynamic Fracture Mechanics in Space and Time Using a 2D-to-3D Deep Neural Network

The dynamics of materials failure is one of the most critical phenomena in a range of scientific and engineering fields, from healthcare to structural materials to transportation. In this paper we propose a specially designed deep neural network, DyFraNet, which can predict dynamic fracture behaviors by identifying a complete history of fracture propagation - from cracking onset, as a crack grows through the material, modeled as a series of frames evolving over time and dependent on each other. Furthermore, this model can not only forecast future fracture processes but also backcast to elucidate the past fracture history. In this scenario, once provided with the outcome of a fracture event, the model will elucidate past events that led to this state and will predict the future evolution of the failure process. By comparing the predicted results with atomistic-level simulations and theory, we show that DyFraNet can capture dynamic fracture mechanics by accurately predicting how cracks develop over time, including measures such as the crack speed, as well as when cracks become unstable. We use GradCAM to interpret how DyFraNet perceives the relationship between geometric conditions and fracture dynamics and we find DyFraNet pays special attention to the areas around crack tips, which have a critical influence in the early stage of fracture propagation. In later stages, the model pays increased attention to the existing or newly formed damage distribution in the material. The proposed approach offers significant potential to accelerate the exploration of the dynamics in material design against fracture failures and can be beneficially adapted for all kinds of dynamical engineering problems.

Limits and Powers of Koopman Learning

Dynamical systems provide a comprehensive way to study complex and changing behaviors across various sciences. Many modern systems are too complicated to analyze directly or we do not have access to models, driving significant interest in learning methods. Koopman operators have emerged as a dominant approach because they allow the study of nonlinear dynamics using linear techniques by solving an infinite-dimensional spectral problem. However, current algorithms face challenges such as lack of convergence, hindering practical progress. This paper addresses a fundamental open question: When can we robustly learn the spectral properties of Koopman operators from trajectory data of dynamical systems, and when can we not? Understanding these boundaries is crucial for analysis, applications, and designing algorithms. We establish a foundational approach that combines computational analysis and ergodic theory, revealing the first fundamental barriers -- universal for any algorithm -- associated with system geometry and complexity, regardless of data quality and quantity. For instance, we demonstrate well-behaved smooth dynamical systems on tori where non-trivial eigenfunctions of the Koopman operator cannot be determined by any sequence of (even randomized) algorithms, even with unlimited training data. Additionally, we identify when learning is possible and introduce optimal algorithms with verification that overcome issues in standard methods. These results pave the way for a sharp classification theory of data-driven dynamical systems based on how many limits are needed to solve a problem. These limits characterize all previous methods, presenting a unified view. Our framework systematically determines when and how Koopman spectral properties can be learned.

On Neural Differential Equations

The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.

Uncertainty quantification in a mechanical submodel driven by a Wasserstein-GAN

The analysis of parametric and non-parametric uncertainties of very large dynamical systems requires the construction of a stochastic model of said system. Linear approaches relying on random matrix theory and principal componant analysis can be used when systems undergo low-frequency vibrations. In the case of fast dynamics and wave propagation, we investigate a random generator of boundary conditions for fast submodels by using machine learning. We show that the use of non-linear techniques in machine learning and data-driven methods is highly relevant. Physics-informed neural networks is a possible choice for a data-driven method to replace linear modal analysis. An architecture that support a random component is necessary for the construction of the stochastic model of the physical system for non-parametric uncertainties, since the goal is to learn the underlying probabilistic distribution of uncertainty in the data. Generative Adversarial Networks (GANs) are suited for such applications, where the Wasserstein-GAN with gradient penalty variant offers improved convergence results for our problem. The objective of our approach is to train a GAN on data from a finite element method code (Fenics) so as to extract stochastic boundary conditions for faster finite element predictions on a submodel. The submodel and the training data have both the same geometrical support. It is a zone of interest for uncertainty quantification and relevant to engineering purposes. In the exploitation phase, the framework can be viewed as a randomized and parametrized simulation generator on the submodel, which can be used as a Monte Carlo estimator.

SINDy-RL: Interpretable and Efficient Model-Based Reinforcement Learning

Deep reinforcement learning (DRL) has shown significant promise for uncovering sophisticated control policies that interact in environments with complicated dynamics, such as stabilizing the magnetohydrodynamics of a tokamak fusion reactor or minimizing the drag force exerted on an object in a fluid flow. However, these algorithms require an abundance of training examples and may become prohibitively expensive for many applications. In addition, the reliance on deep neural networks often results in an uninterpretable, black-box policy that may be too computationally expensive to use with certain embedded systems. Recent advances in sparse dictionary learning, such as the sparse identification of nonlinear dynamics (SINDy), have shown promise for creating efficient and interpretable data-driven models in the low-data regime. In this work we introduce SINDy-RL, a unifying framework for combining SINDy and DRL to create efficient, interpretable, and trustworthy representations of the dynamics model, reward function, and control policy. We demonstrate the effectiveness of our approaches on benchmark control environments and challenging fluids problems. SINDy-RL achieves comparable performance to state-of-the-art DRL algorithms using significantly fewer interactions in the environment and results in an interpretable control policy orders of magnitude smaller than a deep neural network policy.

Safe & Accurate at Speed with Tendons: A Robot Arm for Exploring Dynamic Motion

Operating robots precisely and at high speeds has been a long-standing goal of robotics research. Balancing these competing demands is key to enabling the seamless collaboration of robots and humans and increasing task performance. However, traditional motor-driven systems often fall short in this balancing act. Due to their rigid and often heavy design exacerbated by positioning the motors into the joints, faster motions of such robots transfer high forces at impact. To enable precise and safe dynamic motions, we introduce a four degree-of-freedom~(DoF) tendon-driven robot arm. Tendons allow placing the actuation at the base to reduce the robot's inertia, which we show significantly reduces peak collision forces compared to conventional robots with motors placed near the joints. Pairing our robot with pneumatic muscles allows generating high forces and highly accelerated motions, while benefiting from impact resilience through passive compliance. Since tendons are subject to additional friction and hence prone to wear and tear, we validate the reliability of our robotic arm on various experiments, including long-term dynamic motions. We also demonstrate its ease of control by quantifying the nonlinearities of the system and the performance on a challenging dynamic table tennis task learned from scratch using reinforcement learning. We open-source the entire hardware design, which can be largely 3D printed, the control software, and a proprioceptive dataset of 25 days of diverse robot motions at webdav.tuebingen.mpg.de/pamy2.

ImDy: Human Inverse Dynamics from Imitated Observations

Inverse dynamics (ID), which aims at reproducing the driven torques from human kinematic observations, has been a critical tool for gait analysis. However, it is hindered from wider application to general motion due to its limited scalability. Conventional optimization-based ID requires expensive laboratory setups, restricting its availability. To alleviate this problem, we propose to exploit the recently progressive human motion imitation algorithms to learn human inverse dynamics in a data-driven manner. The key insight is that the human ID knowledge is implicitly possessed by motion imitators, though not directly applicable. In light of this, we devise an efficient data collection pipeline with state-of-the-art motion imitation algorithms and physics simulators, resulting in a large-scale human inverse dynamics benchmark as Imitated Dynamics (ImDy). ImDy contains over 150 hours of motion with joint torque and full-body ground reaction force data. With ImDy, we train a data-driven human inverse dynamics solver ImDyS(olver) in a fully supervised manner, which conducts ID and ground reaction force estimation simultaneously. Experiments on ImDy and real-world data demonstrate the impressive competency of ImDyS in human inverse dynamics and ground reaction force estimation. Moreover, the potential of ImDy(-S) as a fundamental motion analysis tool is exhibited with downstream applications. The project page is https://foruck.github.io/ImDy/.

Dynamical Linear Bandits

In many real-world sequential decision-making problems, an action does not immediately reflect on the feedback and spreads its effects over a long time frame. For instance, in online advertising, investing in a platform produces an instantaneous increase of awareness, but the actual reward, i.e., a conversion, might occur far in the future. Furthermore, whether a conversion takes place depends on: how fast the awareness grows, its vanishing effects, and the synergy or interference with other advertising platforms. Previous work has investigated the Multi-Armed Bandit framework with the possibility of delayed and aggregated feedback, without a particular structure on how an action propagates in the future, disregarding possible dynamical effects. In this paper, we introduce a novel setting, the Dynamical Linear Bandits (DLB), an extension of the linear bandits characterized by a hidden state. When an action is performed, the learner observes a noisy reward whose mean is a linear function of the hidden state and of the action. Then, the hidden state evolves according to linear dynamics, affected by the performed action too. We start by introducing the setting, discussing the notion of optimal policy, and deriving an expected regret lower bound. Then, we provide an optimistic regret minimization algorithm, Dynamical Linear Upper Confidence Bound (DynLin-UCB), that suffers an expected regret of order mathcal{O} Big( d sqrt{T}{(1-rho)^{3/2}} Big), where rho is a measure of the stability of the system, and d is the dimension of the action vector. Finally, we conduct a numerical validation on a synthetic environment and on real-world data to show the effectiveness of DynLin-UCB in comparison with several baselines.

A Low-complexity Structured Neural Network to Realize States of Dynamical Systems

Data-driven learning is rapidly evolving and places a new perspective on realizing state-space dynamical systems. However, dynamical systems derived from nonlinear ordinary differential equations (ODEs) suffer from limitations in computational efficiency. Thus, this paper stems from data-driven learning to advance states of dynamical systems utilizing a structured neural network (StNN). The proposed learning technique also seeks to identify an optimal, low-complexity operator to solve dynamical systems, the so-called Hankel operator, derived from time-delay measurements. Thus, we utilize the StNN based on the Hankel operator to solve dynamical systems as an alternative to existing data-driven techniques. We show that the proposed StNN reduces the number of parameters and computational complexity compared with the conventional neural networks and also with the classical data-driven techniques, such as Sparse Identification of Nonlinear Dynamics (SINDy) and Hankel Alternative view of Koopman (HAVOK), which is commonly known as delay-Dynamic Mode Decomposition(DMD) or Hankel-DMD. More specifically, we present numerical simulations to solve dynamical systems utilizing the StNN based on the Hankel operator beginning from the fundamental Lotka-Volterra model, where we compare the StNN with the LEarning Across Dynamical Systems (LEADS), and extend our analysis to highly nonlinear and chaotic Lorenz systems, comparing the StNN with conventional neural networks, SINDy, and HAVOK. Hence, we show that the proposed StNN paves the way for realizing state-space dynamical systems with a low-complexity learning algorithm, enabling prediction and understanding of future states.

Multi-marginal Schrödinger Bridges with Iterative Reference Refinement

Practitioners frequently aim to infer an unobserved population trajectory using sample snapshots at multiple time points. For instance, in single-cell sequencing, scientists would like to learn how gene expression evolves over time. But sequencing any cell destroys that cell. So we cannot access any cell's full trajectory, but we can access snapshot samples from many cells. Stochastic differential equations are commonly used to analyze systems with full individual-trajectory access; since here we have only sample snapshots, these methods are inapplicable. The deep learning community has recently explored using Schr\"odinger bridges (SBs) and their extensions to estimate these dynamics. However, these methods either (1) interpolate between just two time points or (2) require a single fixed reference dynamic within the SB, which is often just set to be Brownian motion. But learning piecewise from adjacent time points can fail to capture long-term dependencies. And practitioners are typically able to specify a model class for the reference dynamic but not the exact values of the parameters within it. So we propose a new method that (1) learns the unobserved trajectories from sample snapshots across multiple time points and (2) requires specification only of a class of reference dynamics, not a single fixed one. In particular, we suggest an iterative projection method inspired by Schr\"odinger bridges; we alternate between learning a piecewise SB on the unobserved trajectories and using the learned SB to refine our best guess for the dynamics within the reference class. We demonstrate the advantages of our method via a well-known simulated parametric model from ecology, simulated and real data from systems biology, and real motion-capture data.

Chaos as an interpretable benchmark for forecasting and data-driven modelling

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

COPlanner: Plan to Roll Out Conservatively but to Explore Optimistically for Model-Based RL

Dyna-style model-based reinforcement learning contains two phases: model rollouts to generate sample for policy learning and real environment exploration using current policy for dynamics model learning. However, due to the complex real-world environment, it is inevitable to learn an imperfect dynamics model with model prediction error, which can further mislead policy learning and result in sub-optimal solutions. In this paper, we propose COPlanner, a planning-driven framework for model-based methods to address the inaccurately learned dynamics model problem with conservative model rollouts and optimistic environment exploration. COPlanner leverages an uncertainty-aware policy-guided model predictive control (UP-MPC) component to plan for multi-step uncertainty estimation. This estimated uncertainty then serves as a penalty during model rollouts and as a bonus during real environment exploration respectively, to choose actions. Consequently, COPlanner can avoid model uncertain regions through conservative model rollouts, thereby alleviating the influence of model error. Simultaneously, it explores high-reward model uncertain regions to reduce model error actively through optimistic real environment exploration. COPlanner is a plug-and-play framework that can be applied to any dyna-style model-based methods. Experimental results on a series of proprioceptive and visual continuous control tasks demonstrate that both sample efficiency and asymptotic performance of strong model-based methods are significantly improved combined with COPlanner.

Reward-Consistent Dynamics Models are Strongly Generalizable for Offline Reinforcement Learning

Learning a precise dynamics model can be crucial for offline reinforcement learning, which, unfortunately, has been found to be quite challenging. Dynamics models that are learned by fitting historical transitions often struggle to generalize to unseen transitions. In this study, we identify a hidden but pivotal factor termed dynamics reward that remains consistent across transitions, offering a pathway to better generalization. Therefore, we propose the idea of reward-consistent dynamics models: any trajectory generated by the dynamics model should maximize the dynamics reward derived from the data. We implement this idea as the MOREC (Model-based Offline reinforcement learning with Reward Consistency) method, which can be seamlessly integrated into previous offline model-based reinforcement learning (MBRL) methods. MOREC learns a generalizable dynamics reward function from offline data, which is subsequently employed as a transition filter in any offline MBRL method: when generating transitions, the dynamics model generates a batch of transitions and selects the one with the highest dynamics reward value. On a synthetic task, we visualize that MOREC has a strong generalization ability and can surprisingly recover some distant unseen transitions. On 21 offline tasks in D4RL and NeoRL benchmarks, MOREC improves the previous state-of-the-art performance by a significant margin, i.e., 4.6% on D4RL tasks and 25.9% on NeoRL tasks. Notably, MOREC is the first method that can achieve above 95% online RL performance in 6 out of 12 D4RL tasks and 3 out of 9 NeoRL tasks.

VIGMA: An Open-Access Framework for Visual Gait and Motion Analytics

Gait disorders are commonly observed in older adults, who frequently experience various issues related to walking. Additionally, researchers and clinicians extensively investigate mobility related to gait in typically and atypically developing children, athletes, and individuals with orthopedic and neurological disorders. Effective gait analysis enables the understanding of the causal mechanisms of mobility and balance control of patients, the development of tailored treatment plans to improve mobility, the reduction of fall risk, and the tracking of rehabilitation progress. However, analyzing gait data is a complex task due to the multivariate nature of the data, the large volume of information to be interpreted, and the technical skills required. Existing tools for gait analysis are often limited to specific patient groups (e.g., cerebral palsy), only handle a specific subset of tasks in the entire workflow, and are not openly accessible. To address these shortcomings, we conducted a requirements assessment with gait practitioners (e.g., researchers, clinicians) via surveys and identified key components of the workflow, including (1) data processing and (2) data analysis and visualization. Based on the findings, we designed VIGMA, an open-access visual analytics framework integrated with computational notebooks and a Python library, to meet the identified requirements. Notably, the framework supports analytical capabilities for assessing disease progression and for comparing multiple patient groups. We validated the framework through usage scenarios with experts specializing in gait and mobility rehabilitation. VIGMA is available at https://github.com/komar41/VIGMA.

The Edge-of-Reach Problem in Offline Model-Based Reinforcement Learning

Offline reinforcement learning aims to train agents from pre-collected datasets. However, this comes with the added challenge of estimating the value of behaviors not covered in the dataset. Model-based methods offer a potential solution by training an approximate dynamics model, which then allows collection of additional synthetic data via rollouts in this model. The prevailing theory treats this approach as online RL in an approximate dynamics model, and any remaining performance gap is therefore understood as being due to dynamics model errors. In this paper, we analyze this assumption and investigate how popular algorithms perform as the learned dynamics model is improved. In contrast to both intuition and theory, if the learned dynamics model is replaced by the true error-free dynamics, existing model-based methods completely fail. This reveals a key oversight: The theoretical foundations assume sampling of full horizon rollouts in the learned dynamics model; however, in practice, the number of model-rollout steps is aggressively reduced to prevent accumulating errors. We show that this truncation of rollouts results in a set of edge-of-reach states at which we are effectively ``bootstrapping from the void.'' This triggers pathological value overestimation and complete performance collapse. We term this the edge-of-reach problem. Based on this new insight, we fill important gaps in existing theory, and reveal how prior model-based methods are primarily addressing the edge-of-reach problem, rather than model-inaccuracy as claimed. Finally, we propose Reach-Aware Value Learning (RAVL), a simple and robust method that directly addresses the edge-of-reach problem and hence - unlike existing methods - does not fail as the dynamics model is improved. Code open-sourced at: github.com/anyasims/edge-of-reach.

Understanding the differences in Foundation Models: Attention, State Space Models, and Recurrent Neural Networks

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

Forecasting Thermoacoustic Instabilities in Liquid Propellant Rocket Engines Using Multimodal Bayesian Deep Learning

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

Control of Medical Digital Twins with Artificial Neural Networks

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

Continual Model-Based Reinforcement Learning with Hypernetworks

Effective planning in model-based reinforcement learning (MBRL) and model-predictive control (MPC) relies on the accuracy of the learned dynamics model. In many instances of MBRL and MPC, this model is assumed to be stationary and is periodically re-trained from scratch on state transition experience collected from the beginning of environment interactions. This implies that the time required to train the dynamics model - and the pause required between plan executions - grows linearly with the size of the collected experience. We argue that this is too slow for lifelong robot learning and propose HyperCRL, a method that continually learns the encountered dynamics in a sequence of tasks using task-conditional hypernetworks. Our method has three main attributes: first, it includes dynamics learning sessions that do not revisit training data from previous tasks, so it only needs to store the most recent fixed-size portion of the state transition experience; second, it uses fixed-capacity hypernetworks to represent non-stationary and task-aware dynamics; third, it outperforms existing continual learning alternatives that rely on fixed-capacity networks, and does competitively with baselines that remember an ever increasing coreset of past experience. We show that HyperCRL is effective in continual model-based reinforcement learning in robot locomotion and manipulation scenarios, such as tasks involving pushing and door opening. Our project website with videos is at this link https://rvl.cs.toronto.edu/blog/2020/hypercrl

Is Model Ensemble Necessary? Model-based RL via a Single Model with Lipschitz Regularized Value Function

Probabilistic dynamics model ensemble is widely used in existing model-based reinforcement learning methods as it outperforms a single dynamics model in both asymptotic performance and sample efficiency. In this paper, we provide both practical and theoretical insights on the empirical success of the probabilistic dynamics model ensemble through the lens of Lipschitz continuity. We find that, for a value function, the stronger the Lipschitz condition is, the smaller the gap between the true dynamics- and learned dynamics-induced Bellman operators is, thus enabling the converged value function to be closer to the optimal value function. Hence, we hypothesize that the key functionality of the probabilistic dynamics model ensemble is to regularize the Lipschitz condition of the value function using generated samples. To test this hypothesis, we devise two practical robust training mechanisms through computing the adversarial noise and regularizing the value network's spectral norm to directly regularize the Lipschitz condition of the value functions. Empirical results show that combined with our mechanisms, model-based RL algorithms with a single dynamics model outperform those with an ensemble of probabilistic dynamics models. These findings not only support the theoretical insight, but also provide a practical solution for developing computationally efficient model-based RL algorithms.

Generalized Teacher Forcing for Learning Chaotic Dynamics

Chaotic dynamical systems (DS) are ubiquitous in nature and society. Often we are interested in reconstructing such systems from observed time series for prediction or mechanistic insight, where by reconstruction we mean learning geometrical and invariant temporal properties of the system in question (like attractors). However, training reconstruction algorithms like recurrent neural networks (RNNs) on such systems by gradient-descent based techniques faces severe challenges. This is mainly due to exploding gradients caused by the exponential divergence of trajectories in chaotic systems. Moreover, for (scientific) interpretability we wish to have as low dimensional reconstructions as possible, preferably in a model which is mathematically tractable. Here we report that a surprisingly simple modification of teacher forcing leads to provably strictly all-time bounded gradients in training on chaotic systems, and, when paired with a simple architectural rearrangement of a tractable RNN design, piecewise-linear RNNs (PLRNNs), allows for faithful reconstruction in spaces of at most the dimensionality of the observed system. We show on several DS that with these amendments we can reconstruct DS better than current SOTA algorithms, in much lower dimensions. Performance differences were particularly compelling on real world data with which most other methods severely struggled. This work thus led to a simple yet powerful DS reconstruction algorithm which is highly interpretable at the same time.

Value Function is All You Need: A Unified Learning Framework for Ride Hailing Platforms

Large ride-hailing platforms, such as DiDi, Uber and Lyft, connect tens of thousands of vehicles in a city to millions of ride demands throughout the day, providing great promises for improving transportation efficiency through the tasks of order dispatching and vehicle repositioning. Existing studies, however, usually consider the two tasks in simplified settings that hardly address the complex interactions between the two, the real-time fluctuations between supply and demand, and the necessary coordinations due to the large-scale nature of the problem. In this paper we propose a unified value-based dynamic learning framework (V1D3) for tackling both tasks. At the center of the framework is a globally shared value function that is updated continuously using online experiences generated from real-time platform transactions. To improve the sample-efficiency and the robustness, we further propose a novel periodic ensemble method combining the fast online learning with a large-scale offline training scheme that leverages the abundant historical driver trajectory data. This allows the proposed framework to adapt quickly to the highly dynamic environment, to generalize robustly to recurrent patterns and to drive implicit coordinations among the population of managed vehicles. Extensive experiments based on real-world datasets show considerably improvements over other recently proposed methods on both tasks. Particularly, V1D3 outperforms the first prize winners of both dispatching and repositioning tracks in the KDD Cup 2020 RL competition, achieving state-of-the-art results on improving both total driver income and user experience related metrics.

InterDyn: Controllable Interactive Dynamics with Video Diffusion Models

Predicting the dynamics of interacting objects is essential for both humans and intelligent systems. However, existing approaches are limited to simplified, toy settings and lack generalizability to complex, real-world environments. Recent advances in generative models have enabled the prediction of state transitions based on interventions, but focus on generating a single future state which neglects the continuous dynamics resulting from the interaction. To address this gap, we propose InterDyn, a novel framework that generates videos of interactive dynamics given an initial frame and a control signal encoding the motion of a driving object or actor. Our key insight is that large video generation models can act as both neural renderers and implicit physics ``simulators'', having learned interactive dynamics from large-scale video data. To effectively harness this capability, we introduce an interactive control mechanism that conditions the video generation process on the motion of the driving entity. Qualitative results demonstrate that InterDyn generates plausible, temporally consistent videos of complex object interactions while generalizing to unseen objects. Quantitative evaluations show that InterDyn outperforms baselines that focus on static state transitions. This work highlights the potential of leveraging video generative models as implicit physics engines. Project page: https://interdyn.is.tue.mpg.de/

TimeGraphs: Graph-based Temporal Reasoning

Many real-world systems exhibit temporal, dynamic behaviors, which are captured as time series of complex agent interactions. To perform temporal reasoning, current methods primarily encode temporal dynamics through simple sequence-based models. However, in general these models fail to efficiently capture the full spectrum of rich dynamics in the input, since the dynamics is not uniformly distributed. In particular, relevant information might be harder to extract and computing power is wasted for processing all individual timesteps, even if they contain no significant changes or no new information. Here we propose TimeGraphs, a novel approach that characterizes dynamic interactions as a hierarchical temporal graph, diverging from traditional sequential representations. Our approach models the interactions using a compact graph-based representation, enabling adaptive reasoning across diverse time scales. Adopting a self-supervised method, TimeGraphs constructs a multi-level event hierarchy from a temporal input, which is then used to efficiently reason about the unevenly distributed dynamics. This construction process is scalable and incremental to accommodate streaming data. We evaluate TimeGraphs on multiple datasets with complex, dynamic agent interactions, including a football simulator, the Resistance game, and the MOMA human activity dataset. The results demonstrate both robustness and efficiency of TimeGraphs on a range of temporal reasoning tasks. Our approach obtains state-of-the-art performance and leads to a performance increase of up to 12.2% on event prediction and recognition tasks over current approaches. Our experiments further demonstrate a wide array of capabilities including zero-shot generalization, robustness in case of data sparsity, and adaptability to streaming data flow.

Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks

Molecular dynamics (MD) simulations play a crucial role in scientific research. Yet their computational cost often limits the timescales and system sizes that can be explored. Most data-driven efforts have been focused on reducing the computational cost of accurate interatomic forces required for solving the equations of motion. Despite their success, however, these machine learning interatomic potentials (MLIPs) are still bound to small time-steps. In this work, we introduce TrajCast, a transferable and data-efficient framework based on autoregressive equivariant message passing networks that directly updates atomic positions and velocities lifting the constraints imposed by traditional numerical integration. We benchmark our framework across various systems, including a small molecule, crystalline material, and bulk liquid, demonstrating excellent agreement with reference MD simulations for structural, dynamical, and energetic properties. Depending on the system, TrajCast allows for forecast intervals up to 30times larger than traditional MD time-steps, generating over 15 ns of trajectory data per day for a solid with more than 4,000 atoms. By enabling efficient large-scale simulations over extended timescales, TrajCast can accelerate materials discovery and explore physical phenomena beyond the reach of traditional simulations and experiments. An open-source implementation of TrajCast is accessible under https://github.com/IBM/trajcast.