Daily Papers

In this paper, we extend financial sentiment analysis~(FSA) to event-level since events usually serve as the subject of the sentiment in financial text. Though extracting events from the financial text may be conducive to accurate sentiment predictions, it has specialized challenges due to the lengthy and discontinuity of events in a financial text. To this end, we reconceptualize the event extraction as a classification task by designing a categorization comprising coarse-grained and fine-grained event categories. Under this setting, we formulate the Event-Level Financial Sentiment Analysis~(EFSA for short) task that outputs quintuples consisting of (company, industry, coarse-grained event, fine-grained event, sentiment) from financial text. A large-scale Chinese dataset containing 12,160 news articles and 13,725 quintuples is publicized as a brand new testbed for our task. A four-hop Chain-of-Thought LLM-based approach is devised for this task. Systematically investigations are conducted on our dataset, and the empirical results demonstrate the benchmarking scores of existing methods and our proposed method can reach the current state-of-the-art. Our dataset and framework implementation are available at https://anonymous.4open.science/r/EFSA-645E

Despite progress in video large language models (Video-LLMs), research on instructional video understanding, crucial for enhancing access to instructional content, remains insufficient. To address this, we introduce InstructionBench, an Instructional video understanding Benchmark, which challenges models' advanced temporal reasoning within instructional videos characterized by their strict step-by-step flow. Employing GPT-4, we formulate Q\&A pairs in open-ended and multiple-choice formats to assess both Coarse-Grained event-level and Fine-Grained object-level reasoning. Our filtering strategies exclude questions answerable purely by common-sense knowledge, focusing on visual perception and analysis when evaluating Video-LLM models. The benchmark finally contains 5k questions across over 700 videos. We evaluate the latest Video-LLMs on our InstructionBench, finding that closed-source models outperform open-source ones. However, even the best model, GPT-4o, achieves only 53.42\% accuracy, indicating significant gaps in temporal reasoning. To advance the field, we also develop a comprehensive instructional video dataset with over 19k Q\&A pairs from nearly 2.5k videos, using an automated data generation framework, thereby enriching the community's research resources.

Surgical future prediction, driven by real-time AI analysis of surgical video, is critical for operating room safety and efficiency. It provides actionable insights into upcoming events, their timing, and risks-enabling better resource allocation, timely instrument readiness, and early warnings for complications (e.g., bleeding, bile duct injury). Despite this need, current surgical AI research focuses on understanding what is happening rather than predicting future events. Existing methods target specific tasks in isolation, lacking unified approaches that span both short-term (action triplets, events) and long-term horizons (remaining surgery duration, phase transitions). These methods rely on coarse-grained supervision while fine-grained surgical action triplets and steps remain underexplored. Furthermore, methods based only on future feature prediction struggle to generalize across different surgical contexts and procedures. We address these limits by reframing surgical future prediction as state-change learning. Rather than forecasting raw observations, our approach classifies state transitions between current and future timesteps. We introduce SurgFUTR, implementing this through a teacher-student architecture. Video clips are compressed into state representations via Sinkhorn-Knopp clustering; the teacher network learns from both current and future clips, while the student network predicts future states from current videos alone, guided by our Action Dynamics (ActDyn) module. We establish SFPBench with five prediction tasks spanning short-term (triplets, events) and long-term (remaining surgery duration, phase and step transitions) horizons. Experiments across four datasets and three procedures show consistent improvements. Cross-procedure transfer validates generalizability.

In this work, we present a manually annotated corpus for Adverse Event (AE) extraction from discharge summaries of elderly patients, a population often underrepresented in clinical NLP resources. The dataset includes 14 clinically significant AEs-such as falls, delirium, and intracranial haemorrhage, along with contextual attributes like negation, diagnosis type, and in-hospital occurrence. Uniquely, the annotation schema supports both discontinuous and overlapping entities, addressing challenges rarely tackled in prior work. We evaluate multiple models using FlairNLP across three annotation granularities: fine-grained, coarse-grained, and coarse-grained with negation. While transformer-based models (e.g., BERT-cased) achieve strong performance on document-level coarse-grained extraction (F1 = 0.943), performance drops notably for fine-grained entity-level tasks (e.g., F1 = 0.675), particularly for rare events and complex attributes. These results demonstrate that despite high-level scores, significant challenges remain in detecting underrepresented AEs and capturing nuanced clinical language. Developed within a Trusted Research Environment (TRE), the dataset is available upon request via DataLoch and serves as a robust benchmark for evaluating AE extraction methods and supporting future cross-dataset generalisation.

Existing human value datasets do not directly support value understanding in factual news: many are actor-agnostic, rely on isolated utterances or synthetic scenarios, and lack explicit event structure or value direction. We present NEVU (News Event-centric Value Understanding), a benchmark for actor-conditioned, event-centric, and direction-aware human value recognition in factual news. NEVU evaluates whether models can identify value cues, attribute them to the correct actor, and determine value direction from grounded evidence. Built from 2{,}865 English news articles, NEVU organizes annotations at four semantic unit levels (Subevent, behavior-based composite event, story-based composite event, and Article) and labels (unit, actor) pairs for fine-grained evaluation across local and composite contexts. The annotations are produced through an LLM-assisted pipeline with staged verification and targeted human auditing. Using a hierarchical value space with 54 fine-grained values and 20 coarse-grained categories, NEVU covers 45{,}793 unit--actor pairs and 168{,}061 directed value instances. We provide unified baselines for proprietary and open-source LLMs, and find that lightweight adaptation (LoRA) consistently improves open-source models, showing that although NEVU is designed primarily as a benchmark, it also supports supervised adaptation beyond prompting-only evaluation. Data availability is described in Appendix~app:data_code_availability.

Despite impressive advancements in video understanding, most efforts remain limited to coarse-grained or visual-only video tasks. However, real-world videos encompass omni-modal information (vision, audio, and speech) with a series of events forming a cohesive storyline. The lack of multi-modal video data with fine-grained event annotations and the high cost of manual labeling are major obstacles to comprehensive omni-modality video perception. To address this gap, we propose an automatic pipeline consisting of high-quality multi-modal video filtering, semantically coherent omni-modal event boundary detection, and cross-modal correlation-aware event captioning. In this way, we present LongVALE, the first-ever Vision-Audio-Language Event understanding benchmark comprising 105K omni-modal events with precise temporal boundaries and detailed relation-aware captions within 8.4K high-quality long videos. Further, we build a baseline that leverages LongVALE to enable video large language models (LLMs) for omni-modality fine-grained temporal video understanding for the first time. Extensive experiments demonstrate the effectiveness and great potential of LongVALE in advancing comprehensive multi-modal video understanding.

Partition logics -- non-Boolean event structures obtained by pasting Boolean algebras -- provide a natural language for situations in which a system has a definite latent state but can be accessed and resolved only through mutually incompatible coarse-grained modes of observation. We show that this structure arises in a range of social-science settings by constructing six explicit examples from personnel assessment, survey framing, clinical diagnosis, espionage coordination, legal pluralism, and organizational auditing. For each case we identify the latent state space, the observational contexts as partitions, and the shared atoms that intertwine contexts, yielding instances of the L_{12} bowtie, triangle, pentagon, and automaton partition logics. These examples make precise a notion of social complementarity: different modes of inquiry can be incompatible even though the underlying system remains fully value-definite. Complementarity in this sense does not entail contextuality or ontic indeterminacy. We further compare the classical probabilities generated by convex mixtures of dispersion-free states with the quantum-like Born probabilities available when the same exclusivity graph admits a faithful orthogonal representation. The framework thus separates logical structure from probabilistic realization and suggests empirically testable benchmarks for quantum-cognition models.

Web platforms, mobile applications, and connected sensing systems generate multivariate time series with states at multiple levels of granularity, from coarse regimes to fine-grained events. Effective segmentation in these settings requires integrating across granularities while supporting iterative refinement through sparse prompt signals, which provide a compact mechanism for injecting domain knowledge. Yet existing prompting approaches for time series segmentation operate only within local contexts, so the effect of a prompt quickly fades and cannot guide predictions across the entire sequence. To overcome this limitation, we propose MemPromptTSS, a framework for iterative multi-granularity segmentation that introduces persistent prompt memory. A memory encoder transforms prompts and their surrounding subsequences into memory tokens stored in a bank. This persistent memory enables each new prediction to condition not only on local cues but also on all prompts accumulated across iterations, ensuring their influence persists across the entire sequence. Experiments on six datasets covering wearable sensing and industrial monitoring show that MemPromptTSS achieves 23% and 85% accuracy improvements over the best baseline in single- and multi-granularity segmentation under single iteration inference, and provides stronger refinement in iterative inference with average per-iteration gains of 2.66 percentage points compared to 1.19 for PromptTSS. These results highlight the importance of persistent memory for prompt-guided segmentation, establishing MemPromptTSS as a practical and effective framework for real-world applications.

Multivariate time series data, collected across various fields such as manufacturing and wearable technology, exhibit states at multiple levels of granularity, from coarse-grained system behaviors to fine-grained, detailed events. Effectively segmenting and integrating states across these different granularities is crucial for tasks like predictive maintenance and performance optimization. However, existing time series segmentation methods face two key challenges: (1) the inability to handle multiple levels of granularity within a unified model, and (2) limited adaptability to new, evolving patterns in dynamic environments. To address these challenges, we propose PromptTSS, a novel framework for time series segmentation with multi-granularity states. PromptTSS uses a unified model with a prompting mechanism that leverages label and boundary information to guide segmentation, capturing both coarse- and fine-grained patterns while adapting dynamically to unseen patterns. Experiments show PromptTSS improves accuracy by 24.49% in multi-granularity segmentation, 17.88% in single-granularity segmentation, and up to 599.24% in transfer learning, demonstrating its adaptability to hierarchical states and evolving time series dynamics. Our code is available at https://github.com/blacksnail789521/PromptTSS.

The primary goal of drug safety researchers and regulators is to promptly identify adverse drug reactions. Doing so may in turn prevent or reduce the harm to patients and ultimately improve public health. Evaluating and monitoring drug safety (i.e., pharmacovigilance) involves analyzing an ever growing collection of spontaneous reports from health professionals, physicians, and pharmacists, and information voluntarily submitted by patients. In this scenario, facilitating analysis of such reports via automation has the potential to rapidly identify safety signals. Unfortunately, public resources for developing natural language models for this task are scant. We present PHEE, a novel dataset for pharmacovigilance comprising over 5000 annotated events from medical case reports and biomedical literature, making it the largest such public dataset to date. We describe the hierarchical event schema designed to provide coarse and fine-grained information about patients' demographics, treatments and (side) effects. Along with the discussion of the dataset, we present a thorough experimental evaluation of current state-of-the-art approaches for biomedical event extraction, point out their limitations, and highlight open challenges to foster future research in this area.

Recent advances in video generation have enabled high-fidelity video synthesis from user provided prompts. However, existing models and benchmarks fail to capture the complexity and requirements of professional video generation. Towards that goal, we introduce Stable Cinemetrics, a structured evaluation framework that formalizes filmmaking controls into four disentangled, hierarchical taxonomies: Setup, Event, Lighting, and Camera. Together, these taxonomies define 76 fine-grained control nodes grounded in industry practices. Using these taxonomies, we construct a benchmark of prompts aligned with professional use cases and develop an automated pipeline for prompt categorization and question generation, enabling independent evaluation of each control dimension. We conduct a large-scale human study spanning 10+ models and 20K videos, annotated by a pool of 80+ film professionals. Our analysis, both coarse and fine-grained reveal that even the strongest current models exhibit significant gaps, particularly in Events and Camera-related controls. To enable scalable evaluation, we train an automatic evaluator, a vision-language model aligned with expert annotations that outperforms existing zero-shot baselines. SCINE is the first approach to situate professional video generation within the landscape of video generative models, introducing taxonomies centered around cinematic controls and supporting them with structured evaluation pipelines and detailed analyses to guide future research.

Composed Video Retrieval (CoVR) retrieves a target video given a query video and a modification text describing the intended change. Existing CoVR benchmarks emphasize appearance shifts or coarse event changes and therefore do not test the ability to capture subtle, fast-paced temporal differences. We introduce TF-CoVR, the first large-scale benchmark dedicated to temporally fine-grained CoVR. TF-CoVR focuses on gymnastics and diving and provides 180K triplets drawn from FineGym and FineDiving. Previous CoVR benchmarks focusing on temporal aspect, link each query to a single target segment taken from the same video, limiting practical usefulness. In TF-CoVR, we instead construct each <query, modification> pair by prompting an LLM with the label differences between clips drawn from different videos; every pair is thus associated with multiple valid target videos (3.9 on average), reflecting real-world tasks such as sports-highlight generation. To model these temporal dynamics we propose TF-CoVR-Base, a concise two-stage training framework: (i) pre-train a video encoder on fine-grained action classification to obtain temporally discriminative embeddings; (ii) align the composed query with candidate videos using contrastive learning. We conduct the first comprehensive study of image, video, and general multimodal embedding (GME) models on temporally fine-grained composed retrieval in both zero-shot and fine-tuning regimes. On TF-CoVR, TF-CoVR-Base improves zero-shot mAP@50 from 5.92 (LanguageBind) to 7.51, and after fine-tuning raises the state-of-the-art from 19.83 to 25.82.

Recent advances in Video Large Language Models (Video-LLMs) have demonstrated their great potential in general-purpose video understanding. To verify the significance of these models, a number of benchmarks have been proposed to diagnose their capabilities in different scenarios. However, existing benchmarks merely evaluate models through video-level question-answering, lacking fine-grained event-level assessment and task diversity. To fill this gap, we introduce E.T. Bench (Event-Level & Time-Sensitive Video Understanding Benchmark), a large-scale and high-quality benchmark for open-ended event-level video understanding. Categorized within a 3-level task taxonomy, E.T. Bench encompasses 7.3K samples under 12 tasks with 7K videos (251.4h total length) under 8 domains, providing comprehensive evaluations. We extensively evaluated 8 Image-LLMs and 12 Video-LLMs on our benchmark, and the results reveal that state-of-the-art models for coarse-level (video-level) understanding struggle to solve our fine-grained tasks, e.g., grounding event-of-interests within videos, largely due to the short video context length, improper time representations, and lack of multi-event training data. Focusing on these issues, we further propose a strong baseline model, E.T. Chat, together with an instruction-tuning dataset E.T. Instruct 164K tailored for fine-grained event-level understanding. Our simple but effective solution demonstrates superior performance in multiple scenarios.

Recent advancements in multimodal large language models (MLLMs) have shown promising results, yet existing approaches struggle to effectively handle both temporal and spatial localization simultaneously. This challenge stems from two key issues: first, incorporating spatial-temporal localization introduces a vast number of coordinate combinations, complicating the alignment of linguistic and visual coordinate representations; second, encoding fine-grained temporal and spatial information during video feature compression is inherently difficult. To address these issues, we propose LLaVA-ST, a MLLM for fine-grained spatial-temporal multimodal understanding. In LLaVA-ST, we propose Language-Aligned Positional Embedding, which embeds the textual coordinate special token into the visual space, simplifying the alignment of fine-grained spatial-temporal correspondences. Additionally, we design the Spatial-Temporal Packer, which decouples the feature compression of temporal and spatial resolutions into two distinct point-to-region attention processing streams. Furthermore, we propose ST-Align dataset with 4.3M training samples for fine-grained spatial-temporal multimodal understanding. With ST-align, we present a progressive training pipeline that aligns the visual and textual feature through sequential coarse-to-fine stages.Additionally, we introduce an ST-Align benchmark to evaluate spatial-temporal interleaved fine-grained understanding tasks, which include Spatial-Temporal Video Grounding (STVG) , Event Localization and Captioning (ELC) and Spatial Video Grounding (SVG). LLaVA-ST achieves outstanding performance on 11 benchmarks requiring fine-grained temporal, spatial, or spatial-temporal interleaving multimodal understanding. Our code, data and benchmark will be released at Our code, data and benchmark will be released at https://github.com/appletea233/LLaVA-ST .

Next-generation AI companions must go beyond general video understanding to resolve spatial and temporal references in dynamic, real-world environments. Existing Video Large Language Models (Video LLMs), while capable of coarse-level comprehension, struggle with fine-grained, spatiotemporal reasoning, especially when user queries rely on time-based event references for temporal anchoring, or gestural cues for spatial anchoring to clarify object references and positions. To bridge this critical gap, we introduce Strefer, a synthetic instruction data generation framework designed to equip Video LLMs with spatiotemporal referring and reasoning capabilities. Strefer produces diverse instruction-tuning data using a data engine that pseudo-annotates temporally dense, fine-grained video metadata, capturing rich spatial and temporal information in a structured manner, including subjects, objects, their locations as masklets, and their action descriptions and timelines. Our approach enhances the ability of Video LLMs to interpret spatial and temporal references, fostering more versatile, space-time-aware reasoning essential for real-world AI companions. Without using proprietary models, costly human annotation, or the need to annotate large volumes of new videos, experimental evaluations show that models trained with data produced by Strefer outperform baselines on tasks requiring spatial and temporal disambiguation. Additionally, these models exhibit enhanced space-time-aware reasoning, establishing a new foundation for perceptually grounded, instruction-tuned Video LLMs.

The CoNLL-03 corpus is arguably the most well-known and utilized benchmark dataset for named entity recognition (NER). However, prior works found significant numbers of annotation errors, incompleteness, and inconsistencies in the data. This poses challenges to objectively comparing NER approaches and analyzing their errors, as current state-of-the-art models achieve F1-scores that are comparable to or even exceed the estimated noise level in CoNLL-03. To address this issue, we present a comprehensive relabeling effort assisted by automatic consistency checking that corrects 7.0% of all labels in the English CoNLL-03. Our effort adds a layer of entity linking annotation both for better explainability of NER labels and as additional safeguard of annotation quality. Our experimental evaluation finds not only that state-of-the-art approaches reach significantly higher F1-scores (97.1%) on our data, but crucially that the share of correct predictions falsely counted as errors due to annotation noise drops from 47% to 6%. This indicates that our resource is well suited to analyze the remaining errors made by state-of-the-art models, and that the theoretical upper bound even on high resource, coarse-grained NER is not yet reached. To facilitate such analysis, we make CleanCoNLL publicly available to the research community.

We show how to extract from a sufficiently long time series of stationary fluctuations of chemical reactions an estimate of the entropy production. This method, which is based on recent work on fluctuation theorems, is direct, non-invasive, does not require any knowledge about the underlying dynamics, and is applicable even when only partial information is available. We apply it to simple stochastic models of chemical reactions involving a finite number of states, and for this case, we study how the estimate of dissipation is affected by the degree of coarse-graining present in the input data.

Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While machine learning (ML) has produced accurate and efficient CG simulations of proteins, fast and reliable backmapping remains a challenge. Rule-based methods produce poor all-atom geometries, needing computationally costly refinement through additional simulations. Recently proposed ML approaches outperform traditional baselines but are not transferable between proteins and sometimes generate unphysical atom placements with steric clashes and implausible torsion angles. This work addresses both issues to build a fast, transferable, and reliable generative backmapping tool for CG protein representations. We achieve generalization and reliability through a combined set of innovations: representation based on internal coordinates; an equivariant encoder/prior; a custom loss function that helps ensure local structure, global structure, and physical constraints; and expert curation of high-quality out-of-equilibrium protein data for training. Our results pave the way for out-of-the-box backmapping of coarse-grained simulations for arbitrary proteins.

We investigate the time evolution of the Boltzmann entropy of a dilute gas of N particles, N>>1, as it undergoes a free expansion doubling its volume. The microstate of the system, a point in the 4N dimensional phase space, changes in time via Hamiltonian dynamics. Its entropy, at any time t, is given by the logarithm of the phase space volume of all the microstates giving rise to its macrostate at time t. The macrostates that we consider are defined by coarse graining the one-particle phase space into cells Δ_α. The initial and final macrostates of the system are equilibrium states in volumes V and 2V, with the same energy E and particle number N. Their entropy per particle is given, for sufficiently large systems, by the thermodynamic entropy as a function of the particle and energy density, whose leading term is independent of the size of the Δ_α. The intermediate (non-equilibrium) entropy does however depend on the size of the cells Δ_α. Its change with time is due to (i) dispersal in physical space from free motion and to (ii) the collisions between particles which change their velocities. The former depends strongly on the size of the velocity coarse graining Δv: it produces entropy at a rate proportional to Δv. This dependence is investigated numerically and analytically for a dilute two-dimensional gas of hard discs. It becomes significant when the mean free path between collisions is of the same order or larger than the length scale of the initial spatial inhomogeneity. In the opposite limit, the rate of entropy production is essentially independent of Δv and is given by the Boltzmann equation for the limit Δvrightarrow 0. We show that when both processes are active the time dependence of the entropy has a scaling form involving the ratio of the rates of its production by the two processes.

Machine-learned coarse-grained (CG) models often suffer from noisy training data, limiting their accuracy and transferability. We propose a method to generate low-noise training data based on the potential of mean force by constraining CG beads during atomistic simulations and accumulating time-averaged forces. Implemented within the neuroevolution potential (NEP) framework, our approach achieves training accuracy comparable to atomistic models trained on density functional theory data. For liquid water, the NEP-CG model accurately reproduces densities from 1 bar to 1 GPa, successfully extrapolating beyond the 0.5 GPa training limit, with a virial correction essential for the correct equation of state. For an anisotropic C_{60} monolayer, distinguishing crystallographically distinct bead types reduces stress errors by an order of magnitude and captures directional thermal conductivity. We further introduce a multiscale NEP-AACG model integrating all-atom (AA) and CG degrees of freedom, demonstrated for gold nanowire fracture at an experimentally relevant strain rate. Computational speeds for NEP-CG models reach hundreds to thousands of ns/day using a single consumer-grade GPU. This work provides a robust framework for constructing accurate, transferable, and efficient CG models across diverse systems.

Open-ended text generation tasks, such as dialogue generation and story completion, require models to generate a coherent continuation given limited preceding context. The open-ended nature of these tasks brings new challenges to the neural auto-regressive text generators nowadays. Despite these neural models are good at producing human-like text, it is difficult for them to arrange causalities and relations between given facts and possible ensuing events. To bridge this gap, we propose a novel two-stage method which explicitly arranges the ensuing events in open-ended text generation. Our approach can be understood as a specially-trained coarse-to-fine algorithm, where an event transition planner provides a "coarse" plot skeleton and a text generator in the second stage refines the skeleton. Experiments on two open-ended text generation tasks demonstrate that our proposed method effectively improves the quality of the generated text, especially in coherence and diversity. The code is available at: https://github.com/qtli/EventPlanforTextGen.

In Autonomous Driving (AD) transparency and safety are paramount, as mistakes are costly. However, neural networks used in AD systems are generally considered black boxes. As a countermeasure, we have methods of explainable AI (XAI), such as feature relevance estimation and dimensionality reduction. Coarse graining techniques can also help reduce dimensionality and find interpretable global patterns. A specific coarse graining method is Renormalization Groups from statistical physics. It has previously been applied to Restricted Boltzmann Machines (RBMs) to interpret unsupervised learning. We refine this technique by building a transparent backbone model for convolutional variational autoencoders (VAE) that allows mapping latent values to input features and has performance comparable to trained black box VAEs. Moreover, we propose a custom feature map visualization technique to analyze the internal convolutional layers in the VAE to explain internal causes of poor reconstruction that may lead to dangerous traffic scenarios in AD applications. In a second key contribution, we propose explanation and evaluation techniques for the internal dynamics and feature relevance of prediction networks. We test a long short-term memory (LSTM) network in the computer vision domain to evaluate the predictability and in future applications potentially safety of prediction models. We showcase our methods by analyzing a VAE-LSTM world model that predicts pedestrian perception in an urban traffic situation.

Object orientation understanding represents a fundamental challenge in visual perception critical for applications like robotic manipulation and augmented reality. Current vision-language benchmarks fail to isolate this capability, often conflating it with positional relationships and general scene understanding. We introduce DORI (Discriminative Orientation Reasoning Intelligence), a comprehensive benchmark establishing object orientation perception as a primary evaluation target. DORI assesses four dimensions of orientation comprehension: frontal alignment, rotational transformations, relative directional relationships, and canonical orientation understanding. Through carefully curated tasks from 11 datasets spanning 67 object categories across synthetic and real-world scenarios, DORI provides insights on how multi-modal systems understand object orientations. Our evaluation of 15 state-of-the-art vision-language models reveals critical limitations: even the best models achieve only 54.2% accuracy on coarse tasks and 33.0% on granular orientation judgments, with performance deteriorating for tasks requiring reference frame shifts or compound rotations. These findings demonstrate the need for dedicated orientation representation mechanisms, as models show systematic inability to perform precise angular estimations, track orientation changes across viewpoints, and understand compound rotations - suggesting limitations in their internal 3D spatial representations. As the first diagnostic framework specifically designed for orientation awareness in multimodal systems, DORI offers implications for improving robotic control, 3D scene reconstruction, and human-AI interaction in physical environments. DORI data: https://huggingface.co/datasets/appledora/DORI-Benchmark

All current formulations of thermodynamics invoke some form of coarse-graining or ensembles as the supposed link between their own laws and the microscopic laws of motion. They deal only with ensemble-averages, expectation values, macroscopic limits, infinite heat baths, etc., not with the details of physical variables of individual microscopic systems. They are consistent with the laws of motion for finite systems only in certain approximations, which improve with increasing scale, given various assumptions about initial conditions which are neither specified precisely nor even thought to hold exactly in nature. Here I propose a new formulation of the zeroth, first and second laws, improving upon the axiomatic approach to thermodynamics (Carath\'eodory, 1909; Lieb & Yngvason, 1999), via the principles of the recently proposed constructor theory. Specifically, I provide a non-approximative, scale-independent formulation of 'adiabatic accessibility'; this in turn provides a non-approximative, scale-independent distinction between work and heat and reveals an unexpected connection between information theory and the first law of thermodynamics (not just the second). It also achieves the long-sought unification of the axiomatic approach with Kelvin's.

We study in detail a one-dimensional lattice model of a continuum, conserved field (mass) that is transferred deterministically between neighbouring random sites. The model falls in a wider class of lattice models capturing the joint effect of random advection and diffusion and encompassing as specific cases, some models studied in the literature, like the Kang-Redner, Kipnis-Marchioro-Presutti, Takayasu-Taguchi, etc. The motivation for our setup comes from a straightforward interpretation as advection of particles in one-dimensional turbulence, but it is also related to a problem of synchronization of dynamical systems driven by common noise. For finite lattices, we study both the coalescence of an initially spread field (interpreted as roughening), and the statistical steady-state properties. We distinguish two main size-dependent regimes, depending on the strength of the diffusion term and on the lattice size. Using numerical simulations and mean-field approach, we study the statistics of the field. For weak diffusion, we unveil a characteristic hierarchical structure of the field. We also connect the model and the iterated function systems concept.

Knowledge distillation compresses large teachers into smaller students, but performance saturates at a loss floor that persists across training methods and objectives. We argue this floor is geometric: neural networks represent far more features than dimensions through superposition, and a student of width d_S can encode at most d_S cdot g(α) features, where g(α) = 1/((1-α)ln1{1-α}) is a sparsity-dependent capacity function. Features beyond this budget are permanently lost, yielding an importance-weighted loss floor. We validate on a toy model (48 configurations, median accuracy >93%) and on Pythia-410M, where sparse autoencoders measure F approx 28{,}700 features at αapprox 0.992 (critical width d_S^* approx 1{,}065). Distillation into five student widths confirms the predicted monotonic floor ordering. The observed floor decomposes into a geometric component and a width-independent architectural baseline (R^2 = 0.993). Linear probing shows coarse concepts survive even 88% feature loss, revealing the floor arises from aggregate loss of fine-grained features in the importance distribution's long tail. Our results connect representation geometry to distillation limits and provide a practical tool for predicting distillation performance from SAE measurements alone.

To perform autonomous visual search for environmental monitoring, a robot may leverage satellite imagery as a prior map. This can help inform coarse, high-level search and exploration strategies, even when such images lack sufficient resolution to allow fine-grained, explicit visual recognition of targets. However, there are some challenges to overcome with using satellite images to direct visual search. For one, targets that are unseen in satellite images are underrepresented (compared to ground images) in most existing datasets, and thus vision models trained on these datasets fail to reason effectively based on indirect visual cues. Furthermore, approaches which leverage large Vision Language Models (VLMs) for generalization may yield inaccurate outputs due to hallucination, leading to inefficient search. To address these challenges, we introduce Search-TTA, a multimodal test-time adaptation framework that can accept text and/or image input. First, we pretrain a remote sensing image encoder to align with CLIP's visual encoder to output probability distributions of target presence used for visual search. Second, our framework dynamically refines CLIP's predictions during search using a test-time adaptation mechanism. Through a feedback loop inspired by Spatial Poisson Point Processes, gradient updates (weighted by uncertainty) are used to correct (potentially inaccurate) predictions and improve search performance. To validate Search-TTA's performance, we curate a visual search dataset based on internet-scale ecological data. We find that Search-TTA improves planner performance by up to 9.7%, particularly in cases with poor initial CLIP predictions. It also achieves comparable performance to state-of-the-art VLMs. Finally, we deploy Search-TTA on a real UAV via hardware-in-the-loop testing, by simulating its operation within a large-scale simulation that provides onboard sensing.

In 2000, Gillespie rehabilitated the chemical Langevin equation (CLE) by describing two conditions that must be satisfied for it yield a valid approximation of the chemical master equation (CME). In this work, we construct an original path integral description of the CME, and show how applying Gillespie's two conditions to it directly leads to a path integral equivalent to the CLE. We compare this approach to the path integral equivalent of a large system size derivation, and show that they are qualitatively different. In particular, both approaches involve converting many sums into many integrals, and the difference between the two methods is essentially the difference between using the Euler-Maclaurin formula and using Riemann sums. Our results shed light on how path integrals can be used to conceptualize coarse-graining biochemical systems, and are readily generalizable.

Coarse-grained (CG) molecular models of proteins can substantially increase the time and length scales accessible to molecular dynamics simulations of proteins, but recovery of accurate all-atom (AA) ensembles from CG simulation trajectories can be essential for exposing molecular mechanisms of folding and docking and for calculation of physical properties requiring atomistic detail. The recently reported deep generative model FlowBack restores AA detail to protein C-alpha traces using a flow-matching architecture and demonstrates state-of-the-art performance in generation of AA structural ensembles. Training, however, is performed exclusively on structural data and the absence of any awareness of interatomic energies or forces within training results in small fractions of incorrect bond lengths, atomic clashes, and otherwise high-energy structures. In this work, we introduce FlowBack-Adjoint as a lightweight enhancement that upgrades the pre-trained FlowBack model through a one-time, physics-aware post-training pass. Auxiliary contributions to the flow introduce physical awareness of bond lengths and Lennard-Jones interactions and gradients of a molecular mechanics force field energy are incorporated via adjoint matching to steer the FlowBack-Adjoint vector field to produce lower-energy configurations. In benchmark tests against FlowBack, FlowBack-Adjoint lowers single-point energies by a median of ~78 kcal/mol.residue, reduces errors in bond lengths by >92%, eliminates >98% of molecular clashes, maintains excellent diversity of the AA configurational ensemble, and produces configurations capable of initializing stable all-atom molecular dynamics simulations without requiring energy relaxation. We propose FlowBack-Adjoint as an accurate and efficient physics-aware deep generative model for AA backmapping from C-alpha traces.

The K-core of a graph is the unique maximum subgraph within which each vertex connects to K or more other vertices. The optimal K-core attack problem asks to delete the minimum number of vertices from the K-core to induce its complete collapse. A hierarchical cycle-tree packing model is introduced here for this challenging combinatorial optimization problem. We convert the temporally long-range correlated K-core pruning dynamics into locally tree-like static patterns and analyze this model through the replica-symmetric cavity method of statistical physics. A set of coarse-grained belief propagation equations are derived to predict single vertex marginal probabilities efficiently. The associated hierarchical cycle-tree guided attack ({\tt hCTGA}) algorithm is able to construct nearly optimal attack solutions for regular random graphs and Erd\"os-R\'enyi random graphs. Our cycle-tree packing model may also be helpful for constructing optimal initial conditions for other irreversible dynamical processes on sparse random graphs.

Recent advancements in Large Language Models (LLMs) have driven growing interest in LLM-based agents for complex planning tasks. To avoid costly agent training, many studies adopted memory mechanism that enhances LLM with offline experiences or online trajectory analysis. However, existing works focus on single-granularity memory derived from dynamic environmental interactions, which are inherently constrained by the quality of the collected experiences. This limitation, in turn, constrain the diversity of knowledge and the flexibility of planning. We propose Coarse-to-Fine Grounded Memory (), a novel framework that grounds coarse-to-fine memories with LLM, thereby fully leverage them for flexible adaptation to diverse scenarios. grounds environmental information into coarse-grained focus points to guide experience collection in training tasks, followed by grounding of actionable hybrid-grained tips from each experience. At inference, retrieves task-relevant experiences and tips to support planning. When facing environmental anomalies, the LLM grounds the current situation into fine-grained key information, enabling flexible self-QA reflection and plan correction.

Agentic applications based on large language models increasingly rely on multi-step interaction loops involving planning, action execution, and environment feedback. While such systems are now deployed at scale, improving them post-deployment remains challenging. Agent trajectories are voluminous and non-deterministic, and reviewing each one, whether through human review or auxiliary LLMs, is slow and cost-prohibitive. We propose a lightweight, signal-based framework for triaging agentic interaction trajectories. Our approach computes cheap, broadly applicable signals from live interactions and attaches them as structured attributes for trajectory triage, identifying interactions likely to be informative without affecting online agent behavior. We organize signals into a coarse-grained taxonomy spanning interaction (misalignment, stagnation, disengagement, satisfaction), execution (failure, loop), and environment (exhaustion), designed for computation without model calls. In a controlled annotation study on τ-bench, a widely used benchmark for tool-augmented agent evaluation, we show that signal-based sampling achieves an 82\% informativeness rate compared to 74\% for heuristic filtering and 54\% for random sampling, with a 1.52x efficiency gain per informative trajectory. The advantage is robust across reward strata and task domains, confirming that signals provide genuine per-trajectory informativeness gains rather than merely oversampling obvious failures. These results show that lightweight signals can serve as practical sampling infrastructure for agentic systems, and suggest a path toward preference data construction and post-deployment optimization.

Time series forecasting is widely used in extensive applications, such as traffic planning and weather forecasting. However, real-world time series usually present intricate temporal variations, making forecasting extremely challenging. Going beyond the mainstream paradigms of plain decomposition and multiperiodicity analysis, we analyze temporal variations in a novel view of multiscale-mixing, which is based on an intuitive but important observation that time series present distinct patterns in different sampling scales. The microscopic and the macroscopic information are reflected in fine and coarse scales respectively, and thereby complex variations can be inherently disentangled. Based on this observation, we propose TimeMixer as a fully MLP-based architecture with Past-Decomposable-Mixing (PDM) and Future-Multipredictor-Mixing (FMM) blocks to take full advantage of disentangled multiscale series in both past extraction and future prediction phases. Concretely, PDM applies the decomposition to multiscale series and further mixes the decomposed seasonal and trend components in fine-to-coarse and coarse-to-fine directions separately, which successively aggregates the microscopic seasonal and macroscopic trend information. FMM further ensembles multiple predictors to utilize complementary forecasting capabilities in multiscale observations. Consequently, TimeMixer is able to achieve consistent state-of-the-art performances in both long-term and short-term forecasting tasks with favorable run-time efficiency.

Many events occur in the world. Some event types are stochastically excited or inhibited---in the sense of having their probabilities elevated or decreased---by patterns in the sequence of previous events. Discovering such patterns can help us predict which type of event will happen next and when. We model streams of discrete events in continuous time, by constructing a neurally self-modulating multivariate point process in which the intensities of multiple event types evolve according to a novel continuous-time LSTM. This generative model allows past events to influence the future in complex and realistic ways, by conditioning future event intensities on the hidden state of a recurrent neural network that has consumed the stream of past events. Our model has desirable qualitative properties. It achieves competitive likelihood and predictive accuracy on real and synthetic datasets, including under missing-data conditions.

Recent advancements in generative modeling have made it possible to generate high-quality content from context information, but a key question remains: how to teach models to know when to generate content? To answer this question, this study proposes a novel event generative model that draws its statistical intuition from marked temporal point processes, and offers a clean, flexible, and computationally efficient solution for a wide range of applications involving multi-dimensional marks. We aim to capture the distribution of the point process without explicitly specifying the conditional intensity or probability density. Instead, we use a conditional generator that takes the history of events as input and generates the high-quality subsequent event that is likely to occur given the prior observations. The proposed framework offers a host of benefits, including exceptional efficiency in learning the model and generating samples, as well as considerable representational power to capture intricate dynamics in multi- or even high-dimensional event space. Our numerical results demonstrate superior performance compared to other state-of-the-art baselines.

Video diffusion models (VDMs) have advanced significantly in recent years, enabling the generation of highly realistic videos and drawing the attention of the community in their potential as world simulators. However, despite their capabilities, VDMs often fail to produce physically plausible videos due to an inherent lack of understanding of physics, resulting in incorrect dynamics and event sequences. To address this limitation, we propose a novel two-stage image-to-video generation framework that explicitly incorporates physics. In the first stage, we employ a Vision Language Model (VLM) as a coarse-grained motion planner, integrating chain-of-thought and physics-aware reasoning to predict a rough motion trajectories/changes that approximate real-world physical dynamics while ensuring the inter-frame consistency. In the second stage, we use the predicted motion trajectories/changes to guide the video generation of a VDM. As the predicted motion trajectories/changes are rough, noise is added during inference to provide freedom to the VDM in generating motion with more fine details. Extensive experimental results demonstrate that our framework can produce physically plausible motion, and comparative evaluations highlight the notable superiority of our approach over existing methods. More video results are available on our Project Page: https://madaoer.github.io/projects/physically_plausible_video_generation.

Molecular dynamics (MD) provides insights into atomic-scale processes by integrating over time the equations that describe the motion of atoms under the action of interatomic forces. Machine learning models have substantially accelerated MD by providing inexpensive predictions of the forces, but they remain constrained to minuscule time integration steps, which are required by the fast time scale of atomic motion. In this work, we propose FlashMD, a method to predict the evolution of positions and momenta over strides that are between one and two orders of magnitude longer than typical MD time steps. We incorporate considerations on the mathematical and physical properties of Hamiltonian dynamics in the architecture, generalize the approach to allow the simulation of any thermodynamic ensemble, and carefully assess the possible failure modes of such a long-stride MD approach. We validate FlashMD's accuracy in reproducing equilibrium and time-dependent properties, using both system-specific and general-purpose models, extending the ability of MD simulation to reach the long time scales needed to model microscopic processes of high scientific and technological relevance.

Multi-cellular robot design aims to create robots comprised of numerous cells that can be efficiently controlled to perform diverse tasks. Previous research has demonstrated the ability to generate robots for various tasks, but these approaches often optimize robots directly in the vast design space, resulting in robots with complicated morphologies that are hard to control. In response, this paper presents a novel coarse-to-fine method for designing multi-cellular robots. Initially, this strategy seeks optimal coarse-grained robots and progressively refines them. To mitigate the challenge of determining the precise refinement juncture during the coarse-to-fine transition, we introduce the Hyperbolic Embeddings for Robot Design (HERD) framework. HERD unifies robots of various granularity within a shared hyperbolic space and leverages a refined Cross-Entropy Method for optimization. This framework enables our method to autonomously identify areas of exploration in hyperbolic space and concentrate on regions demonstrating promise. Finally, the extensive empirical studies on various challenging tasks sourced from EvoGym show our approach's superior efficiency and generalization capability.

We present dla-ideal-solver, a high-performance framework for simulating two-dimensional Diffusion-Limited Aggregation (DLA) using Numba-accelerated Python. By leveraging just-in-time (JIT) compilation, we achieve computational throughput comparable to legacy static implementations while retaining high-level flexibility. We investigate the Laplacian growth instability across varying injection geometries and walker concentrations. Our analysis confirms the robustness of the standard fractal dimension D_f approx 1.71 for dilute regimes, consistent with the Witten-Sander universality class. However, we report a distinct crossover to Eden-like compact growth (D_f approx 1.87) in high-density environments, attributed to the saturation of the screening length. Beyond standard mass-radius scaling, we employ generalized Rényi dimensions and lacunarity metrics to quantify the monofractal character and spatial heterogeneity of the aggregates. This work establishes a reproducible, open-source testbed for exploring phase transitions in non-equilibrium statistical mechanics.

We develop a discipline-agnostic emergence calculus that treats theories as fixed points of idempotent operators acting on descriptions. We show that, once processes are composable but access to the underlying system is mediated by a bounded observational interface, a canonical toolkit of six closure-changing primitives (P1--P6) is unavoidable. The framework unifies order-theoretic closure operators with dynamics-induced endomaps E_{τ,f} built from a Markov kernel, a coarse-graining lens, and a time scale τ. We introduce a computable total-variation idempotence defect for E_{τ,f}; small retention error implies approximate idempotence and yields stable "objects" packaged at the chosen τ within a fixed lens. For directionality, we define an arrow-of-time functional as the path-space KL divergence between forward and time-reversed trajectories and prove it is monotone under coarse-graining (data processing); we also formalize a protocol-trap audit showing that protocol holonomy alone cannot sustain asymmetry without a genuine affinity in the lifted dynamics. Finally, we prove a finite forcing-style counting lemma: relative to a partition-based theory, definable predicate extensions are exponentially rare, giving a clean anti-saturation mechanism for strict ladder climbing.

In a novel application of the tools of topological data analysis (TDA) to nonperturbative quantum gravity, we introduce a new class of observables that allows us to assess whether quantum spacetime really resembles a ``quantum foam" near the Planck scale. The key idea is to investigate the Betti numbers of coarse-grained path integral histories, regularized in terms of dynamical triangulations, as a function of the coarse-graining scale. In two dimensions our analysis exhibits the well-known fractal structure of Euclidean quantum gravity.

Important classes of active matter systems can be modeled using kinetic theories. However, kinetic theories can be high dimensional and challenging to simulate. Reduced-order representations based on tracking only low-order moments of the kinetic model serve as an efficient alternative, but typically require closure assumptions to model unrepresented higher-order moments. In this study, we present a learning framework based on neural networks that exploit rotational symmetries in the closure terms to learn accurate closure models directly from kinetic simulations. The data-driven closures demonstrate excellent a-priori predictions comparable to the state-of-the-art Bingham closure. We provide a systematic comparison between different neural network architectures and demonstrate that nonlocal effects can be safely ignored to model the closure terms. We develop an active learning strategy that enables accurate prediction of the closure terms across the entire parameter space using a single neural network without the need for retraining. We also propose a data-efficient training procedure based on time-stepping constraints and a differentiable pseudo-spectral solver, which enables the learning of stable closures suitable for a-posteriori inference. The coarse-grained simulations equipped with data-driven closure models faithfully reproduce the mean velocity statistics, scalar order parameters, and velocity power spectra observed in simulations of the kinetic theory. Our differentiable framework also facilitates the estimation of parameters in coarse-grained descriptions conditioned on data.

In molecular dynamics (MD) simulations, rare events, such as protein folding, are typically studied by means of enhanced sampling techniques, most of which rely on the definition of a collective variable (CV) along which the acceleration occurs. Obtaining an expressive CV is crucial, but often hindered by the lack of information about the particular event, e.g., the transition from unfolded to folded conformation. We propose a simulation-free data augmentation strategy using physics-inspired metrics to generate geodesic interpolations resembling protein folding transitions, thereby improving sampling efficiency without true transition state samples. Leveraging interpolation progress parameters, we introduce a regression-based learning scheme for CV models, which outperforms classifier-based methods when transition state data is limited and noisy

Analyzing Fast, Frequent, and Fine-grained (F^3) events presents a significant challenge in video analytics and multi-modal LLMs. Current methods struggle to identify events that satisfy all the F^3 criteria with high accuracy due to challenges such as motion blur and subtle visual discrepancies. To advance research in video understanding, we introduce F^3Set, a benchmark that consists of video datasets for precise F^3 event detection. Datasets in F^3Set are characterized by their extensive scale and comprehensive detail, usually encompassing over 1,000 event types with precise timestamps and supporting multi-level granularity. Currently, F^3Set contains several sports datasets, and this framework may be extended to other applications as well. We evaluated popular temporal action understanding methods on F^3Set, revealing substantial challenges for existing techniques. Additionally, we propose a new method, F^3ED, for F^3 event detections, achieving superior performance. The dataset, model, and benchmark code are available at https://github.com/F3Set/F3Set.

Diffusion models have recently been increasingly applied to temporal data such as video, fluid mechanics simulations, or climate data. These methods generally treat subsequent frames equally regarding the amount of noise in the diffusion process. This paper explores Rolling Diffusion: a new approach that uses a sliding window denoising process. It ensures that the diffusion process progressively corrupts through time by assigning more noise to frames that appear later in a sequence, reflecting greater uncertainty about the future as the generation process unfolds. Empirically, we show that when the temporal dynamics are complex, Rolling Diffusion is superior to standard diffusion. In particular, this result is demonstrated in a video prediction task using the Kinetics-600 video dataset and in a chaotic fluid dynamics forecasting experiment.

In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex structures at the Big Bang and will also lack them after black holes evaporate and particles are dispersed. This paper makes an initial attempt to quantify this pattern. As a model system, we use a simple, two-dimensional cellular automaton that simulates the mixing of two liquids ("coffee" and "cream"). A plausible complexity measure is then the Kolmogorov complexity of a coarse-grained approximation of the automaton's state, which we dub the "apparent complexity." We study this complexity measure, and show analytically that it never becomes large when the liquid particles are non-interacting. By contrast, when the particles do interact, we give numerical evidence that the complexity reaches a maximum comparable to the "coffee cup's" horizontal dimension. We raise the problem of proving this behavior analytically.

We investigate composed image retrieval with text feedback. Users gradually look for the target of interest by moving from coarse to fine-grained feedback. However, existing methods merely focus on the latter, i.e., fine-grained search, by harnessing positive and negative pairs during training. This pair-based paradigm only considers the one-to-one distance between a pair of specific points, which is not aligned with the one-to-many coarse-grained retrieval process and compromises the recall rate. In an attempt to fill this gap, we introduce a unified learning approach to simultaneously modeling the coarse- and fine-grained retrieval by considering the multi-grained uncertainty. The key idea underpinning the proposed method is to integrate fine- and coarse-grained retrieval as matching data points with small and large fluctuations, respectively. Specifically, our method contains two modules: uncertainty modeling and uncertainty regularization. (1) The uncertainty modeling simulates the multi-grained queries by introducing identically distributed fluctuations in the feature space. (2) Based on the uncertainty modeling, we further introduce uncertainty regularization to adapt the matching objective according to the fluctuation range. Compared with existing methods, the proposed strategy explicitly prevents the model from pushing away potential candidates in the early stage, and thus improves the recall rate. On the three public datasets, i.e., FashionIQ, Fashion200k, and Shoes, the proposed method has achieved +4.03%, +3.38%, and +2.40% Recall@50 accuracy over a strong baseline, respectively.

Molecular dynamics (MD) is a central computational tool in physics, chemistry, and biology, enabling quantitative prediction of experimental observables as expectations over high-dimensional molecular distributions such as Boltzmann distributions and transition densities. However, conventional MD is fundamentally limited by the high computational cost required to generate independent samples. Generative molecular dynamics (GenMD) has recently emerged as an alternative, learning surrogates of molecular distributions either from data or through interaction with energy models. While these methods enable efficient sampling, their transferability across molecular systems is often limited. In this work, we show that incorporating auxiliary sources of information can improve the data efficiency and generalization of transferable implicit transfer operators (TITO) for molecular dynamics. We find that coarse-grained TITO models are substantially more data-efficient than Boltzmann Emulators, and that incorporating protein language model (pLM) embeddings further improves out-of-distribution generalization. Our approach, PLaTITO, achieves state-of-the-art performance on equilibrium sampling benchmarks for out-of-distribution protein systems, including fast-folding proteins. We further study the impact of additional conditioning signals -- such as structural embeddings, temperature, and large-language-model-derived embeddings -- on model performance.

Being probabilistic models, during inference large language models (LLMs) display rare events: behaviour that is far from typical but highly significant. By definition all rare events are hard to see, but the enormous scale of LLM usage means that events completely unobserved during development are likely to become prominent in deployment. Here we present an end-to-end framework for the systematic analysis of rare events in LLMs. We provide a practical implementation spanning theory, efficient generation strategies, probability estimation and error analysis, which we illustrate with concrete examples. We outline extensions and applications to other models and contexts, highlighting the generality of the concepts and techniques presented here.

We present 3D DEM simulations of bidisperse granular packings to investigate their jamming densities, phi_J, and dimensionless bulk moduli, K, as a function of the size ratio, delta, and the concentration of small particles, X_{mathrm S}. We determine the partial and total bulk moduli for each packing and report the jamming transition diagram, i.e., the density or volume fraction marking both the first and second transitions of the system. At a large enough size difference, e.g., delta le 0.22, X^{*}_{mathrm S} divides the diagram with most small particles either non-jammed or jammed jointly with large ones. We find that the bulk modulus K jumps at X^{*}_{mathrm S}(delta = 0.15) approx 0.21, at the maximum jamming density, where both particle species mix most efficiently, while for X_{mathrm S} < X^{*}_{mathrm S} K is decoupled in two scenarios as a result of the first and second jamming transition. Along the second transition, K rises relative to the values found at the first transition, however, is still small compared to K at X^{*}_{mathrm S}. While the first transition is sharp, the second is smooth, carried by small-large interactions, while the small-small contacts display a transition. This demonstrates that for low enough delta and X_{mathrm S}, the jamming of small particles indeed impacts the internal resistance of the system. Our new results will allow tuning the bulk modulus K or other properties, such as the wave speed, by choosing specific sizes and concentrations based on a better understanding of whether small particles contribute to the jammed structure or not, and how the micromechanical structure behaves at either transition.

In this paper I apply newly-proposed information-theoretic principles to thermodynamic work extraction. I show that if it is possible to extract work deterministically from a physical system prepared in any one of a set of states, then those states must be distinguishable from one another. This result is formulated independently of scale and of particular dynamical laws; it also provides a novel connection between thermodynamics and information theory, established via the law of conservation of energy (rather than the second law of thermodynamics). Albeit compatible with these conclusions, existing thermodynamics approaches cannot provide a result of such generality, because they are scale-dependent (relying on ensembles or coarse-graining) or tied to particular dynamical laws. This paper thus provides a broader foundation for thermodynamics, with implications for the theory of von Neumann's universal constructor

Markov jump processes are continuous-time stochastic processes which describe dynamical systems evolving in discrete state spaces. These processes find wide application in the natural sciences and machine learning, but their inference is known to be far from trivial. In this work we introduce a methodology for zero-shot inference of Markov jump processes (MJPs), on bounded state spaces, from noisy and sparse observations, which consists of two components. First, a broad probability distribution over families of MJPs, as well as over possible observation times and noise mechanisms, with which we simulate a synthetic dataset of hidden MJPs and their noisy observation process. Second, a neural network model that processes subsets of the simulated observations, and that is trained to output the initial condition and rate matrix of the target MJP in a supervised way. We empirically demonstrate that one and the same (pretrained) model can infer, in a zero-shot fashion, hidden MJPs evolving in state spaces of different dimensionalities. Specifically, we infer MJPs which describe (i) discrete flashing ratchet systems, which are a type of Brownian motors, and the conformational dynamics in (ii) molecular simulations, (iii) experimental ion channel data and (iv) simple protein folding models. What is more, we show that our model performs on par with state-of-the-art models which are finetuned to the target datasets.

A central problem in machine learning involves modeling complex data-sets using highly flexible families of probability distributions in which learning, sampling, inference, and evaluation are still analytically or computationally tractable. Here, we develop an approach that simultaneously achieves both flexibility and tractability. The essential idea, inspired by non-equilibrium statistical physics, is to systematically and slowly destroy structure in a data distribution through an iterative forward diffusion process. We then learn a reverse diffusion process that restores structure in data, yielding a highly flexible and tractable generative model of the data. This approach allows us to rapidly learn, sample from, and evaluate probabilities in deep generative models with thousands of layers or time steps, as well as to compute conditional and posterior probabilities under the learned model. We additionally release an open source reference implementation of the algorithm.

We introduce a mathematically rigorous framework based on rough path theory to model stochastic spiking neural networks (SSNNs) as stochastic differential equations with event discontinuities (Event SDEs) and driven by c\`adl\`ag rough paths. Our formalism is general enough to allow for potential jumps to be present both in the solution trajectories as well as in the driving noise. We then identify a set of sufficient conditions ensuring the existence of pathwise gradients of solution trajectories and event times with respect to the network's parameters and show how these gradients satisfy a recursive relation. Furthermore, we introduce a general-purpose loss function defined by means of a new class of signature kernels indexed on c\`adl\`ag rough paths and use it to train SSNNs as generative models. We provide an end-to-end autodifferentiable solver for Event SDEs and make its implementation available as part of the diffrax library. Our framework is, to our knowledge, the first enabling gradient-based training of SSNNs with noise affecting both the spike timing and the network's dynamics.

We study the scaling properties of avalanche activity in the two-dimensional Abelian sandpile model. Instead of the conventional avalanche size distribution, we analyze the site activity distribution, which measures how often a site participates in avalanches when grains are added across the lattice. Using numerical simulations for system sizes up to \(L = 160\), averaged over \(10^4\) configurations, we determine the probability distribution \(P(A, L)\) of site activities. The results show that \(P(A, L)\) follows a finite-size scaling form \[ P(A, L) \sim L^{-2} F\Big(A{L^2}\Big). \] For small values \(A \ll L^2\) the scaling function behaves as \[ F(u) \sim u^{-1/2}, \quad corresponding to \quad P(A) \sim 1{L}, \] while for large activities \(A \sim O(L^2)\) the distribution decays as \[ F(u) \sim \exp\big(-c_3 u - c_4 u^2\big). \] The crossover between these two regimes occurs at \[ A^* \sim 0.1 \, L^2, \] marking the threshold between typical and highly excitable sites. This characterization of local avalanche activity provides complementary information to the usual avalanche size statistics, highlighting how local regions serve as frequent conduits for critical dynamics. These results may help connect sandpile models to real-world self-organized critical systems where only partial local activity can be observed.

Reinforcement learning with verifiable rewards (RLVR) has emerged to be a predominant paradigm for mathematical reasoning tasks, offering stable improvements in reasoning ability. However, Outcome Reward Models (ORMs) in RLVR are too coarse-grained to distinguish flawed reasoning within correct answers or valid reasoning within incorrect answers. This lack of granularity introduces noisy and misleading gradients significantly and hinders further progress in reasoning process quality. While Process Reward Models (PRMs) offer fine-grained guidance for intermediate steps, they frequently suffer from inaccuracies and are susceptible to reward hacking. To resolve this dilemma, we introduce PRocess cOnsistency Filter (PROF), an effective data process curation method that harmonizes noisy, fine-grained process rewards with accurate, coarse-grained outcome rewards. Rather than naively blending PRM and ORM in the objective function (arXiv:archive/2506.18896), PROF leverages their complementary strengths through consistency-driven sample selection. Our approach retains correct responses with higher averaged process values and incorrect responses with lower averaged process values, while maintaining positive/negative training sample balance. Extensive experiments demonstrate that our method not only consistently improves the final accuracy over 4% compared to the blending approaches, but also strengthens the quality of intermediate reasoning steps. Codes and training recipes are available at https://github.com/Chenluye99/PROF.

We developed a multiscale approach (MultiSCAAL) that integrates the potential of mean force (PMF) obtained from all-atomistic molecular dynamics simulations with a knowledge-based energy function for coarse-grained molecular simulations in better exploring the energy landscape of a small protein under chemical interference such as chemical denaturation. An excessive amount of water molecules in all-atomistic molecular dynamics simulations often negatively impacts the sampling efficiency of some advanced sampling techniques such as the replica exchange method and it makes the investigation of chemical interferences on protein dynamics difficult. Thus, there is a need to develop an effective strategy that focuses on sampling structural changes in protein conformations rather than solvent molecule fluctuations. In this work, we address this issue by devising a multiscale simulation scheme (MultiSCAAL) that bridges the gap between all-atomistic molecular dynamics simulation and coarse-grained molecular simulation. The two key features of this scheme are the Boltzmann inversion and a protein atomistic reconstruction method we previously developed (SCAAL). Using MultiSCAAL, we were able to enhance the sampling efficiency of proteins solvated by explicit water molecules. Our method has been tested on the folding energy landscape of a small protein Trp-cage with explicit solvent under 8M urea using both the all-atomistic replica exchange molecular dynamics (AA-REMD) and MultiSCAAL. We compared computational analyses on ensemble conformations of Trp-cage with its available experimental NOE distances. The analysis demonstrated that conformations explored by MultiSCAAL better agree with the ones probed in the experiments because it can effectively capture the changes in side chain orientations that can flip out of the hydrophobic pocket in the presence of urea and water molecules.

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, MSM Emulators, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.

The neural Hawkes process (Mei & Eisner, 2017) is a generative model of irregularly spaced sequences of discrete events. To handle complex domains with many event types, Mei et al. (2020a) further consider a setting in which each event in the sequence updates a deductive database of facts (via domain-specific pattern-matching rules); future events are then conditioned on the database contents. They show how to convert such a symbolic system into a neuro-symbolic continuous-time generative model, in which each database fact and the possible event has a time-varying embedding that is derived from its symbolic provenance. In this paper, we modify both models, replacing their recurrent LSTM-based architectures with flatter attention-based architectures (Vaswani et al., 2017), which are simpler and more parallelizable. This does not appear to hurt our accuracy, which is comparable to or better than that of the original models as well as (where applicable) previous attention-based methods (Zuo et al., 2020; Zhang et al., 2020a).

Mixture-of-experts (MoE) has been extensively employed to scale large language models to trillion-plus parameters while maintaining a fixed computational cost. The development of large MoE models in the distributed scenario encounters the problem of large communication overhead. The inter-device communication of a MoE layer can occupy 47% time of the entire model execution with popular models and frameworks. Therefore, existing methods suggest the communication in a MoE layer to be pipelined with the computation for overlapping. However, these coarse grained overlapping schemes introduce a notable impairment of computational efficiency and the latency concealing is sub-optimal. To this end, we present COMET, an optimized MoE system with fine-grained communication-computation overlapping. Leveraging data dependency analysis and task rescheduling, COMET achieves precise fine-grained overlapping of communication and computation. Through adaptive workload assignment, COMET effectively eliminates fine-grained communication bottlenecks and enhances its adaptability across various scenarios. Our evaluation shows that COMET accelerates the execution of a single MoE layer by 1.96times and for end-to-end execution, COMET delivers a 1.71times speedup on average. COMET has been adopted in the production environment of clusters with ten-thousand-scale of GPUs, achieving savings of millions of GPU hours.

Large language model-powered multi-agent systems have emerged as powerful tools for simulating complex human-like systems. The interactions within these systems often lead to extreme events whose origins remain obscured by the black box of emergence. Interpreting these events is critical for system safety. This paper proposes the first framework for explaining emergent extreme events in multi-agent systems, aiming to answer three fundamental questions: When does the event originate? Who drives it? And what behaviors contribute to it? Specifically, we adapt the Shapley value to faithfully attribute the occurrence of extreme events to each action taken by agents at different time steps, i.e., assigning an attribution score to the action to measure its influence on the event. We then aggregate the attribution scores along the dimensions of time, agent, and behavior to quantify the risk contribution of each dimension. Finally, we design a set of metrics based on these contribution scores to characterize the features of extreme events. Experiments across diverse multi-agent system scenarios (economic, financial, and social) demonstrate the effectiveness of our framework and provide general insights into the emergence of extreme phenomena.

We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets.

Molecular dynamics (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds (1fs=10^{-15}s). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD. Furthermore, new MD simulations need to be performed for each molecular system studied. We present Timewarp, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of 10^{5} - 10^{6}:fs. Crucially, Timewarp is transferable between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids) at all-atom resolution, exploring their metastable states and providing wall-clock acceleration of sampling compared to standard MD. Our method constitutes an important step towards general, transferable algorithms for accelerating MD.

Temporal point processes are the dominant paradigm for modeling sequences of events happening at irregular intervals. The standard way of learning in such models is by estimating the conditional intensity function. However, parameterizing the intensity function usually incurs several trade-offs. We show how to overcome the limitations of intensity-based approaches by directly modeling the conditional distribution of inter-event times. We draw on the literature on normalizing flows to design models that are flexible and efficient. We additionally propose a simple mixture model that matches the flexibility of flow-based models, but also permits sampling and computing moments in closed form. The proposed models achieve state-of-the-art performance in standard prediction tasks and are suitable for novel applications, such as learning sequence embeddings and imputing missing data.

This paper introduces a continuous-time stochastic dynamical framework for understanding how large language models (LLMs) may self-amplify latent biases or toxicity through their own chain-of-thought reasoning. The model posits an instantaneous "severity" variable x(t) in [0,1] evolving under a stochastic differential equation (SDE) with a drift term μ(x) and diffusion σ(x). Crucially, such a process can be consistently analyzed via the Fokker--Planck approach if each incremental step behaves nearly Markovian in severity space. The analysis investigates critical phenomena, showing that certain parameter regimes create phase transitions from subcritical (self-correcting) to supercritical (runaway severity). The paper derives stationary distributions, first-passage times to harmful thresholds, and scaling laws near critical points. Finally, it highlights implications for agents and extended LLM reasoning models: in principle, these equations might serve as a basis for formal verification of whether a model remains stable or propagates bias over repeated inferences.

Understanding long videos with multimodal large language models (MLLMs) remains challenging due to the heavy redundancy across frames and the need for temporally coherent representations. Existing static strategies, such as sparse sampling, frame compression, and clustering, are optimized for offline settings and often produce fragmented or over-compressed outputs when applied to continuous video streams. We present VideoScaffold, a dynamic representation framework designed for streaming video understanding. It adaptively adjusts event granularity according to video duration while preserving fine-grained visual semantics. VideoScaffold introduces two key components: Elastic-Scale Event Segmentation (EES), which performs prediction-guided segmentation to dynamically refine event boundaries, and Hierarchical Event Consolidation (HEC), which progressively aggregates semantically related segments into multi-level abstractions. Working in concert, EES and HEC enable VideoScaffold to transition smoothly from fine-grained frame understanding to abstract event reasoning as the video stream unfolds. Extensive experiments across both offline and streaming video understanding benchmarks demonstrate that VideoScaffold achieves state-of-the-art performance. The framework is modular and plug-and-play, seamlessly extending existing image-based MLLMs to continuous video comprehension. The code is available at https://github.com/zheng980629/VideoScaffold.

This paper develops a comprehensive theoretical framework that imports concepts from stochastic thermodynamics to model price impact and characterize the feasibility of round-trip arbitrage in financial markets. A trading cycle is treated as a non-equilibrium thermodynamic process, where price impact represents dissipative work and market noise plays the role of thermal fluctuations. The paper proves a Financial Second Law: under general convex impact functionals, any round-trip trading strategy yields non-positive expected profit. This structural constraint is complemented by a fluctuation theorem that bounds the probability of profitable cycles in terms of dissipated work and market volatility. The framework introduces a statistical ensemble of trading strategies governed by a Gibbs measure, leading to a free energy decomposition that connects expected cost, strategy entropy, and a market temperature parameter. The framework provides rigorous, testable inequalities linking microstructural impact to macroscopic no-arbitrage conditions, offering a novel physics-inspired perspective on market efficiency. The paper derives explicit analytical results for prototypical trading strategies and discusses empirical validation protocols.

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein Language Models (PLMs) capture evolutionary statistics but lack explicit physical grounding, while generative models trained to model full ensembles are computationally expensive. In this work we critically assess these limits and propose a path forward. We introduce GeoGraph, a simulation-informed surrogate trained to predict ensemble-averaged statistics of residue-residue contact-map topology directly from sequence. By featurizing coarse-grained molecular dynamics simulations into residue- and sequence-level graph descriptors, we create a robust and information-rich learning target. Our evaluation demonstrates that this approach yields representations that are more predictive of key biophysical properties than existing methods.

Coarse-guided visual generation, which synthesizes fine visual samples from degraded or low-fidelity coarse references, is essential for various real-world applications. While training-based approaches are effective, they are inherently limited by high training costs and restricted generalization due to paired data collection. Accordingly, recent training-free works propose to leverage pretrained diffusion models and incorporate guidance during the sampling process. However, these training-free methods either require knowing the forward (fine-to-coarse) transformation operator, e.g., bicubic downsampling, or are difficult to balance between guidance and synthetic quality. To address these challenges, we propose a novel guided method by using the h-transform, a tool that can constrain stochastic processes (e.g., sampling process) under desired conditions. Specifically, we modify the transition probability at each sampling timestep by adding to the original differential equation with a drift function, which approximately steers the generation toward the ideal fine sample. To address unavoidable approximation errors, we introduce a noise-level-aware schedule that gradually de-weights the term as the error increases, ensuring both guidance adherence and high-quality synthesis. Extensive experiments across diverse image and video generation tasks demonstrate the effectiveness and generalization of our method.

We propose a new method called the N-particle underdamped Langevin algorithm for optimizing a special class of non-linear functionals defined over the space of probability measures. Examples of problems with this formulation include training mean-field neural networks, maximum mean discrepancy minimization and kernel Stein discrepancy minimization. Our algorithm is based on a novel spacetime discretization of the mean-field underdamped Langevin dynamics, for which we provide a new, fast mixing guarantee. In addition, we demonstrate that our algorithm converges globally in total variation distance, bridging the theoretical gap between the dynamics and its practical implementation.

At high-energy collider experiments, generative models can be used for a wide range of tasks, including fast detector simulations, unfolding, searches of physics beyond the Standard Model, and inference tasks. In particular, it has been demonstrated that score-based diffusion models can generate high-fidelity and accurate samples of jets or collider events. This work expands on previous generative models in three distinct ways. First, our model is trained to generate entire collider events, including all particle species with complete kinematic information. We quantify how well the model learns event-wide constraints such as the conservation of momentum and discrete quantum numbers. We focus on the events at the future Electron-Ion Collider, but we expect that our results can be extended to proton-proton and heavy-ion collisions. Second, previous generative models often relied on image-based techniques. The sparsity of the data can negatively affect the fidelity and sampling time of the model. We address these issues using point clouds and a novel architecture combining edge creation with transformer modules called Point Edge Transformers. Third, we adapt the foundation model OmniLearn, to generate full collider events. This approach may indicate a transition toward adapting and fine-tuning foundation models for downstream tasks instead of training new models from scratch.

Nonlinear ordinary differential equations (ODEs) are powerful tools for modeling real-world dynamical systems. However, propagating initial state uncertainty through nonlinear dynamics, especially when the ODE is unknown and learned from data, remains a major challenge. This paper introduces a novel continuum dynamics perspective for model learning that enables formal uncertainty propagation by constructing Taylor series approximations of probabilistic events. We establish sufficient conditions for the soundness of the approach and prove its asymptotic convergence. Empirical results demonstrate the framework's effectiveness, particularly when predicting rare events.

Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modular nature has enabled the use of template-based methods to generate hypothetical MOFs by combining molecular building blocks in accordance with known network topologies. However, the ability of these methods to identify top-performing MOFs is often hindered by the limited diversity of the resulting chemical space. In this work, we propose MOFDiff: a coarse-grained (CG) diffusion model that generates CG MOF structures through a denoising diffusion process over the coordinates and identities of the building blocks. The all-atom MOF structure is then determined through a novel assembly algorithm. Equivariant graph neural networks are used for the diffusion model to respect the permutational and roto-translational symmetries. We comprehensively evaluate our model's capability to generate valid and novel MOF structures and its effectiveness in designing outstanding MOF materials for carbon capture applications with molecular simulations.

By learning the gradient of smoothed data distributions, diffusion models can iteratively generate samples from complex distributions. The learned score function enables their generalization capabilities, but how the learned score relates to the score of the underlying data manifold remains largely unclear. Here, we aim to elucidate this relationship by comparing learned neural scores to the scores of two kinds of analytically tractable distributions: Gaussians and Gaussian mixtures. The simplicity of the Gaussian model makes it theoretically attractive, and we show that it admits a closed-form solution and predicts many qualitative aspects of sample generation dynamics. We claim that the learned neural score is dominated by its linear (Gaussian) approximation for moderate to high noise scales, and supply both theoretical and empirical arguments to support this claim. Moreover, the Gaussian approximation empirically works for a larger range of noise scales than naive theory suggests it should, and is preferentially learned early in training. At smaller noise scales, we observe that learned scores are better described by a coarse-grained (Gaussian mixture) approximation of training data than by the score of the training distribution, a finding consistent with generalization. Our findings enable us to precisely predict the initial phase of trained models' sampling trajectories through their Gaussian approximations. We show that this allows the skipping of the first 15-30% of sampling steps while maintaining high sample quality (with a near state-of-the-art FID score of 1.93 on CIFAR-10 unconditional generation). This forms the foundation of a novel hybrid sampling method, termed analytical teleportation, which can seamlessly integrate with and accelerate existing samplers, including DPM-Solver-v3 and UniPC. Our findings suggest ways to improve the design and training of diffusion models.

Active matter systems, from self-propelled colloids to motile bacteria, are characterized by the conversion of free energy into useful work at the microscopic scale. These systems generically involve physics beyond the reach of equilibrium statistical mechanics, and a persistent challenge has been to understand the nature of their nonequilibrium states. The entropy production rate and the magnitude of the steady-state probability current provide quantitative ways to do so by measuring the breakdown of time-reversal symmetry and the strength of nonequilibrium transport of measure. Yet, their efficient computation has remained elusive, as they depend on the system's unknown and high-dimensional probability density. Here, building upon recent advances in generative modeling, we develop a deep learning framework that estimates the score of this density. We show that the score, together with the microscopic equations of motion, gives direct access to the entropy production rate, the probability current, and their decomposition into local contributions from individual particles, spatial regions, and degrees of freedom. To represent the score, we introduce a novel, spatially-local transformer-based network architecture that learns high-order interactions between particles while respecting their underlying permutation symmetry. We demonstrate the broad utility and scalability of the method by applying it to several high-dimensional systems of interacting active particles undergoing motility-induced phase separation (MIPS). We show that a single instance of our network trained on a system of 4096 particles at one packing fraction can generalize to other regions of the phase diagram, including systems with as many as 32768 particles. We use this observation to quantify the spatial structure of the departure from equilibrium in MIPS as a function of the number of particles and the packing fraction.

Forecasting multiple future events within a given time horizon is essential for applications in finance, retail, social networks, and healthcare. Marked Temporal Point Processes (MTPP) provide a principled framework to model both the timing and labels of events. However, most existing research focuses on predicting only the next event, leaving long-horizon forecasting largely underexplored. To address this gap, we introduce HoTPP, the first benchmark specifically designed to rigorously evaluate long-horizon predictions. We identify shortcomings in widely used evaluation metrics, propose a theoretically grounded T-mAP metric, present strong statistical baselines, and offer efficient implementations of popular models. Our empirical results demonstrate that modern MTPP approaches often underperform simple statistical baselines. Furthermore, we analyze the diversity of predicted sequences and find that most methods exhibit mode collapse. Finally, we analyze the impact of autoregression and intensity-based losses on prediction quality, and outline promising directions for future research. The HoTPP source code, hyperparameters, and full evaluation results are available at GitHub.

Accurately predicting stock market movements remains a formidable challenge due to the inherent volatility and complex interdependencies among stocks. Although multi-scale Graph Neural Networks (GNNs) hold potential for modeling these relationships, they frequently neglect two key points: the subtle intra-attribute patterns within each stock affecting inter-stock correlation, and the biased attention to coarse- and fine-grained features during multi-scale sampling. To overcome these challenges, we introduce MS-HGFN (Multi-Scale Hierarchical Graph Fusion Network). The model features a hierarchical GNN module that forms dynamic graphs by learning patterns from intra-attributes and features from inter-attributes over different time scales, thus comprehensively capturing spatio-temporal dependencies. Additionally, a top-down gating approach facilitates the integration of multi-scale spatio-temporal features, preserving critical coarse- and fine-grained features without too much interference. Experiments utilizing real-world datasets from U.S. and Chinese stock markets demonstrate that MS-HGFN outperforms both traditional and advanced models, yielding up to a 1.4% improvement in prediction accuracy and enhanced stability in return simulations. The code is available at https://anonymous.4open.science/r/MS-HGFN.

The presence of thermal gradients in alloys often leads to non-uniformity in concentration profiles, which can induce the thermomigration of microstructural features such as precipitates. To investigate such microstructural changes, we present a phase-field model that incorporates coupling between concentration and thermal gradients. First, we simulated the evolution of non-uniform concentration profiles in the single-phase regions of Fe-C and Fe-N alloy systems due to imposed thermal gradients. To validate our model with the classical experiments performed by Darken and Oriani, we studied the evolution of spatially varying concentration profiles where thermal gradients encompass single-phase and two-phase regions. We developed a parameterized thermodynamic description of the two-phase region of a binary alloy to systematically study the effect of interactions between chemically-driven and thermal gradient-driven diffusion of solute on the evolution of precipitates. Our simulations show how thermal gradient, precipitate size, and interparticle distance influence the migration and associated morphological changes of precipitates. The composition profiles and migration rates obtained from single-particle simulations show an exact match with our analytical model. We use twoparticle simulations to show conditions under which thermomigration induces the growth of the smaller particle and shrinkage of the larger one in contrast to the isothermal Ostwald ripening behavior. Our multiparticle simulations show similar behavior during coarsening. Moreover, in the presence of a thermal gradient, there is a shift in the center of mass of the precipitates towards the high-temperature region. Thus, our study offers new insights into the phenomena of microstructure evolution in the presence of thermal gradient.

In the text-to-image generation field, recent remarkable progress in Stable Diffusion makes it possible to generate rich kinds of novel photorealistic images. However, current models still face misalignment issues (e.g., problematic spatial relation understanding and numeration failure) in complex natural scenes, which impedes the high-faithfulness text-to-image generation. Although recent efforts have been made to improve controllability by giving fine-grained guidance (e.g., sketch and scribbles), this issue has not been fundamentally tackled since users have to provide such guidance information manually. In this work, we strive to synthesize high-fidelity images that are semantically aligned with a given textual prompt without any guidance. Toward this end, we propose a coarse-to-fine paradigm to achieve layout planning and image generation. Concretely, we first generate the coarse-grained layout conditioned on a given textual prompt via in-context learning based on Large Language Models. Afterward, we propose a fine-grained object-interaction diffusion method to synthesize high-faithfulness images conditioned on the prompt and the automatically generated layout. Extensive experiments demonstrate that our proposed method outperforms the state-of-the-art models in terms of layout and image generation. Our code and settings are available at https://layoutllm-t2i.github.io.

Video generation using diffusion-based models is constrained by high computational costs due to the frame-wise iterative diffusion process. This work presents a Diffusion Reuse MOtion (Dr. Mo) network to accelerate latent video generation. Our key discovery is that coarse-grained noises in earlier denoising steps have demonstrated high motion consistency across consecutive video frames. Following this observation, Dr. Mo propagates those coarse-grained noises onto the next frame by incorporating carefully designed, lightweight inter-frame motions, eliminating massive computational redundancy in frame-wise diffusion models. The more sensitive and fine-grained noises are still acquired via later denoising steps, which can be essential to retain visual qualities. As such, deciding which intermediate steps should switch from motion-based propagations to denoising can be a crucial problem and a key tradeoff between efficiency and quality. Dr. Mo employs a meta-network named Denoising Step Selector (DSS) to dynamically determine desirable intermediate steps across video frames. Extensive evaluations on video generation and editing tasks have shown that Dr. Mo can substantially accelerate diffusion models in video tasks with improved visual qualities.

Instruction granularity is an important yet poorly controlled variable in language-guided embodied AI. Existing benchmarks typically pair each task with a single static instruction, making it difficult to study how agent behavior changes when the same task is described at different levels of detail. We introduce Mini-BEHAVIOR-Gran, a new benchmark for controlled studies of instruction granularity that extends Mini-BEHAVIOR with multiple instruction variants per task, ranging from high-level goal descriptions to step-by-step guidance. Using this benchmark, we compare four candidate metrics for cross-task granularity quantification: token count, entity count, action-verb count, and planning-width, and find that width correlates most consistently with agent performance. Using width to organize training and evaluation further reveals a non-monotonic U-shaped relationship between instruction granularity and performance, with peaks at both fine and coarse extremes. Further analysis suggests that the coarse-granularity performance rebound is associated with shallow grounding, where agents learn vision-dominant policies.

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the novel task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent chemistry literature show that our method consistently outperforms strong baselines.

Longitudinal health agents must reason across multi-source trajectories that combine continuous device streams, sparse clinical exams, and episodic life events - yet evaluating them is hard: real-world data cannot be released at scale, and temporally grounded attribution questions seldom admit definitive answers without structured ground truth. We present ESL-Bench, an event-driven synthesis framework and benchmark providing 100 synthetic users, each with a 1-5 year trajectory comprising a health profile, a multi-phase narrative plan, daily device measurements, periodic exam records, and an event log with explicit per-indicator impact parameters. Each indicator follows a baseline stochastic process driven by discrete events with sigmoid-onset, exponential-decay kernels under saturation and projection constraints; a hybrid pipeline delegates sparse semantic artifacts to LLM-based planning and dense indicator dynamics to algorithmic simulation with hard physiological bounds. Users are each paired with 100 evaluation queries across five dimensions - Lookup, Trend, Comparison, Anomaly, Explanation - stratified into Easy, Medium, and Hard tiers, with all ground-truth answers programmatically computable from the recorded event-indicator relationships. Evaluating 13 methods spanning LLMs with tools, DB-native agents, and memory-augmented RAG, we find that DB agents (48-58%) substantially outperform memory RAG baselines (30-38%), with the gap concentrated on Comparison and Explanation queries where multi-hop reasoning and evidence attribution are required.

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional 10sim100times speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

In this work, we introduce a single parameter omega, to effectively control granularity in diffusion-based synthesis. This parameter is incorporated during the denoising steps of the diffusion model's reverse process. Our approach does not require model retraining, architectural modifications, or additional computational overhead during inference, yet enables precise control over the level of details in the generated outputs. Moreover, spatial masks or denoising schedules with varying omega values can be applied to achieve region-specific or timestep-specific granularity control. Prior knowledge of image composition from control signals or reference images further facilitates the creation of precise omega masks for granularity control on specific objects. To highlight the parameter's role in controlling subtle detail variations, the technique is named Omegance, combining "omega" and "nuance". Our method demonstrates impressive performance across various image and video synthesis tasks and is adaptable to advanced diffusion models. The code is available at https://github.com/itsmag11/Omegance.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or involve computationally expensive nested Markov chain Monte Carlo (MCMC) loops. In contrast, the proposed approach leverages stochastic averaging within a slow-fast system of stochastic differential equations (SDEs) to estimate intermediate scores along a diffusion path without training or inner-loop MCMC. Two algorithms are developed under this framework: MultALMC, which uses multiscale annealed Langevin dynamics, and MultCDiff, based on multiscale controlled diffusions for the reverse-time Ornstein-Uhlenbeck process. Both overdamped and underdamped variants are considered, with theoretical guarantees of convergence to the desired diffusion path. The framework is extended to handle heavy-tailed target distributions using Student's t-based noise models and tailored fast-process dynamics. Empirical results across synthetic and real-world benchmarks, including multimodal and high-dimensional distributions, demonstrate that the proposed methods are competitive with existing samplers in terms of accuracy and efficiency, without the need for learned models.

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

Temporal point processes (TPP) are a natural tool for modeling event-based data. Among all TPP models, Hawkes processes have proven to be the most widely used, mainly due to their adequate modeling for various applications, particularly when considering exponential or non-parametric kernels. Although non-parametric kernels are an option, such models require large datasets. While exponential kernels are more data efficient and relevant for specific applications where events immediately trigger more events, they are ill-suited for applications where latencies need to be estimated, such as in neuroscience. This work aims to offer an efficient solution to TPP inference using general parametric kernels with finite support. The developed solution consists of a fast ell_2 gradient-based solver leveraging a discretized version of the events. After theoretically supporting the use of discretization, the statistical and computational efficiency of the novel approach is demonstrated through various numerical experiments. Finally, the method's effectiveness is evaluated by modeling the occurrence of stimuli-induced patterns from brain signals recorded with magnetoencephalography (MEG). Given the use of general parametric kernels, results show that the proposed approach leads to an improved estimation of pattern latency than the state-of-the-art.

In this paper we consider a particular class of solutions of the Rayleigh-Boltzmann equation, known in the nonlinear setting as homoenergetic solutions, which have the form gleft( x,v,t right) =fleft( v-Lleft( tright)x,tright) where the matrix L(t) describes a shear flow deformation. We began this analysis in [22] where we rigorously proved the existence of a stationary non-equilibrium solution and established the different behaviour of the solutions for small and large values of the shear parameter, for cut-off collision kernels with homogeneity parameter 0leq gamma <1, including Maxwell molecules and hard potentials. In this paper, we concentrate in the case where the deformation term dominates the collision term for large times (hyperbolic-dominated regime). This occurs for collision kernels with gamma < 0 and in particular we focus on gamma in (-1,0). In such a hyperbolic-dominated regime, it appears challenging to provide a clear description of the long-term asymptotics of the solutions. Here we present a formal analysis of the long-time asymptotics for the distribution of velocities and provide the explicit form for the asymptotic profile. Additionally, we discuss the different asymptotic behaviour expected in the case of homogeneity gamma < -1. Furthermore, we provide a probabilistic interpretation describing a stochastic process consisting in a combination of collisions and shear flows. The tagged particle velocity {v(t)}_{tgeq 0} is a Markov process that arises from the combination of free flights in a shear flow along with random jumps caused by collisions.

Reinforcement Learning from Verifiable Rewards (RLVR) has emerged as a powerful paradigm for enhancing the complex reasoning capabilities of Large Reasoning Models. However, standard outcome-based supervision suffers from a critical limitation that penalizes trajectories that are largely correct but fail due to several missteps as heavily as completely erroneous ones. This coarse feedback signal causes the model to discard valuable largely correct rollouts, leading to a degradation in rollout diversity that prematurely narrows the exploration space. Process Reward Models have demonstrated efficacy in providing reliable step-wise verification for test-time scaling, naively integrating these signals into RLVR as dense rewards proves ineffective.Prior methods attempt to introduce off-policy guided whole-trajectory replacement that often outside the policy model's distribution, but still fail to utilize the largely correct rollouts generated by the model itself and thus do not effectively mitigate the narrowing of the exploration space. To address these issues, we propose SCOPE (Step-wise Correction for On-Policy Exploration), a novel framework that utilizes Process Reward Models to pinpoint the first erroneous step in suboptimal rollouts and applies fine-grained, step-wise off-policy rectification. By applying precise refinement on partially correct rollout, our method effectively salvages partially correct trajectories and increases diversity score by 13.5%, thereby sustaining a broad exploration space. Extensive experiments demonstrate that our approach establishes new state-of-the-art results, achieving an average accuracy of 46.6% on math reasoning and exhibiting robust generalization with 53.4% accuracy on out-of-distribution reasoning tasks.

Simulating trajectories of multi-particle systems on complex energy landscapes is a central task in molecular dynamics (MD) and drug discovery, but remains challenging at scale due to computationally expensive and long simulations. Previous approaches leverage techniques such as flow or Schrödinger bridge matching to implicitly learn joint trajectories through data snapshots. However, many systems, including biomolecular systems and heterogeneous cell populations, undergo dynamic interactions that evolve over their trajectory and cannot be captured through static snapshots. To close this gap, we introduce Entangled Schrödinger Bridge Matching (EntangledSBM), a framework that learns the first- and second-order stochastic dynamics of interacting, multi-particle systems where the direction and magnitude of each particle's path depend dynamically on the paths of the other particles. We define the Entangled Schrödinger Bridge (EntangledSB) problem as solving a coupled system of bias forces that entangle particle velocities. We show that our framework accurately simulates heterogeneous cell populations under perturbations and rare transitions in high-dimensional biomolecular systems.

Stochastic processes have found numerous applications in science, as they are broadly used to model a variety of natural phenomena. Due to their intrinsic randomness and uncertainty, they are however difficult to characterize. Here, we introduce an unsupervised machine learning approach to determine the minimal set of parameters required to effectively describe the dynamics of a stochastic process. Our method builds upon an extended beta-variational autoencoder architecture. By means of simulated datasets corresponding to paradigmatic diffusion models, we showcase its effectiveness in extracting the minimal relevant parameters that accurately describe these dynamics. Furthermore, the method enables the generation of new trajectories that faithfully replicate the expected stochastic behavior. Overall, our approach enables for the autonomous discovery of unknown parameters describing stochastic processes, hence enhancing our comprehension of complex phenomena across various fields.

Event sequences, characterized by irregular sampling intervals and a mix of categorical and numerical features, are common data structures in various real-world domains such as healthcare, finance, and user interaction logs. Despite advances in temporal data modeling techniques, there is no standardized benchmarks for evaluating their performance on event sequences. This complicates result comparison across different papers due to varying evaluation protocols, potentially misleading progress in this field. We introduce EBES, a comprehensive benchmarking tool with standardized evaluation scenarios and protocols, focusing on regression and classification problems with sequence-level targets. Our library simplifies benchmarking, dataset addition, and method integration through a unified interface. It includes a novel synthetic dataset and provides preprocessed real-world datasets, including the largest publicly available banking dataset. Our results provide an in-depth analysis of datasets, identifying some as unsuitable for model comparison. We investigate the importance of modeling temporal and sequential components, as well as the robustness and scaling properties of the models. These findings highlight potential directions for future research. Our benchmark aim is to facilitate reproducible research, expediting progress and increasing real-world impacts.

The state of the art for physical hazard prediction from weather and climate requires expensive km-scale numerical simulations driven by coarser resolution global inputs. Here, a generative diffusion architecture is explored for downscaling such global inputs to km-scale, as a cost-effective machine learning alternative. The model is trained to predict 2km data from a regional weather model over Taiwan, conditioned on a 25km global reanalysis. To address the large resolution ratio, different physics involved at different scales and prediction of channels beyond those in the input data, we employ a two-step approach where a UNet predicts the mean and a corrector diffusion (CorrDiff) model predicts the residual. CorrDiff exhibits encouraging skill in bulk MAE and CRPS scores. The predicted spectra and distributions from CorrDiff faithfully recover important power law relationships in the target data. Case studies of coherent weather phenomena show that CorrDiff can help sharpen wind and temperature gradients that co-locate with intense rainfall in cold front, and can help intensify typhoons and synthesize rain band structures. Calibration of model uncertainty remains challenging. The prospect of unifying methods like CorrDiff with coarser resolution global weather models implies a potential for global-to-regional multi-scale machine learning simulation.

We introduce GS2E (Gaussian Splatting to Event), a large-scale synthetic event dataset for high-fidelity event vision tasks, captured from real-world sparse multi-view RGB images. Existing event datasets are often synthesized from dense RGB videos, which typically lack viewpoint diversity and geometric consistency, or depend on expensive, difficult-to-scale hardware setups. GS2E overcomes these limitations by first reconstructing photorealistic static scenes using 3D Gaussian Splatting, and subsequently employing a novel, physically-informed event simulation pipeline. This pipeline generally integrates adaptive trajectory interpolation with physically-consistent event contrast threshold modeling. Such an approach yields temporally dense and geometrically consistent event streams under diverse motion and lighting conditions, while ensuring strong alignment with underlying scene structures. Experimental results on event-based 3D reconstruction demonstrate GS2E's superior generalization capabilities and its practical value as a benchmark for advancing event vision research.

Numerical simulations in climate, chemistry, or astrophysics are computationally too expensive for uncertainty quantification or parameter-exploration at high-resolution. Reduced-order or surrogate models are multiple orders of magnitude faster, but traditional surrogates are inflexible or inaccurate and pure machine learning (ML)-based surrogates too data-hungry. We propose a hybrid, flexible surrogate model that exploits known physics for simulating large-scale dynamics and limits learning to the hard-to-model term, which is called parametrization or closure and captures the effect of fine- onto large-scale dynamics. Leveraging neural operators, we are the first to learn grid-independent, non-local, and flexible parametrizations. Our multiscale neural operator is motivated by a rich literature in multiscale modeling, has quasilinear runtime complexity, is more accurate or flexible than state-of-the-art parametrizations and demonstrated on the chaotic equation multiscale Lorenz96.

The classical Coulomb gas model has served as one of the most versatile frameworks in statistical physics, connecting a vast range of phenomena across many different areas. Nonequilibrium generalisations of this model have so far been studied much more scarcely. With the abundance of contemporary research into active and driven systems, one would naturally expect that such generalisations of systems with long-ranged Coulomb-like interactions will form a fertile playground for interesting developments. Here, we present two examples of novel macroscopic behaviour that arise from nonequilibrium fluctuations in long-range interacting systems, namely (1) unscreened long-ranged correlations in strong electrolytes driven by an external electric field and the associated fluctuation-induced forces in the confined Casimir geometry, and (2) out-of-equilibrium critical behaviour in self-chemotactic models that incorporate the particle polarity in the chemotactic response of the cells. Both of these systems have nonlocal Coulomb-like interactions among their constituent particles, namely, the electrostatic interactions in the case of the driven electrolyte, and the chemotactic forces mediated by fast-diffusing signals in the case of self-chemotactic systems. The results presented here hint to the rich phenomenology of nonequilibrium effects that can arise from strong fluctuations in Coulomb interacting systems, and a rich variety of potential future directions, which are discussed.

The statistical mechanics of Gibbs is a juxtaposition of subjective, probabilistic ideas on the one hand and objective, mechanical ideas on the other. In this paper, we follow the path set out by Jaynes, including elements added subsequently to that original work, to explore the consequences of the purely statistical point of view. We show how standard methods in the equilibrium theory could have been derived simply from a description of the available problem information. In addition, our presentation leads to novel insights into questions associated with symmetry and non-equilibrium statistical mechanics. Two surprising consequences to be explored in further work are that (in)distinguishability factors are automatically predicted from the problem formulation and that a quantity related to the thermodynamic entropy production is found by considering information loss in non-equilibrium processes. Using the problem of ion channel thermodynamics as an example, we illustrate the idea of building up complexity by successively adding information to create progressively more complex descriptions of a physical system. Our result is that such statistical mechanical descriptions can be used to create transparent, computable, experimentally-relevant models that may be informed by more detailed atomistic simulations. We also derive a theory for the kinetic behavior of this system, identifying the nonequilibrium `process' free energy functional. The Gibbs relation for this functional is a fluctuation-dissipation theorem applicable arbitrarily far from equilibrium, that captures the effect of non-local and time-dependent behavior from transient driving forces. Based on this work, it is clear that statistical mechanics is a general tool for constructing the relationships between constraints on system information.

Time series foundation models have demonstrated impressive performance as zero-shot forecasters. However, achieving effectively unified training on time series remains an open challenge. Existing approaches introduce some level of model specialization to account for the highly heterogeneous nature of time series data. For instance, Moirai pursues unified training by employing multiple input/output projection layers, each tailored to handle time series at a specific frequency. Similarly, TimesFM maintains a frequency embedding dictionary for this purpose. We identify two major drawbacks to this human-imposed frequency-level model specialization: (1) Frequency is not a reliable indicator of the underlying patterns in time series. For example, time series with different frequencies can display similar patterns, while those with the same frequency may exhibit varied patterns. (2) Non-stationarity is an inherent property of real-world time series, leading to varied distributions even within a short context window of a single time series. Frequency-level specialization is too coarse-grained to capture this level of diversity. To address these limitations, this paper introduces Moirai-MoE, using a single input/output projection layer while delegating the modeling of diverse time series patterns to the sparse mixture of experts (MoE) within Transformers. With these designs, Moirai-MoE reduces reliance on human-defined heuristics and enables automatic token-level specialization. Extensive experiments on 39 datasets demonstrate the superiority of Moirai-MoE over existing foundation models in both in-distribution and zero-shot scenarios. Furthermore, this study conducts comprehensive model analyses to explore the inner workings of time series MoE foundation models and provides valuable insights for future research.

Kilometer-scale simulations of the atmosphere are an important tool for assessing local weather extremes and climate impacts, but computational expense limits their use to small regions, short periods, and limited ensembles. Machine learning offers a pathway to efficiently emulate these high-resolution simulations. Here we introduce HiRO-ACE, a two-stage AI modeling framework combining a stochastic version of the Ai2 Climate Emulator (ACE2S) with diffusion-based downscaling (HiRO) to generate 3 km precipitation fields over arbitrary regions of the globe. Both components are trained on data derived from a decade of atmospheric simulation by X-SHiELD, a 3 km global storm-resolving model. HiRO performs a 32x downscaling--generating 3 km 6-hourly precipitation from coarse 100 km inputs by training on paired high-resolution and coarsened X-SHiELD outputs. ACE2S is a 1^circ times 1^circ (sim100 km) stochastic autoregressive global atmosphere emulator that maintains grid-scale precipitation variability consistent with coarsened X-SHiELD, enabling its outputs to be ingested by HiRO without additional tuning. HiRO-ACE reproduces the distribution of extreme precipitation rates through the 99.99th percentile, with time-mean precipitation biases below 10% almost everywhere. The framework generates plausible tropical cyclones, fronts, and convective events from poorly resolved coarse inputs. Its computational efficiency allows generation of 6-hourly high-resolution regional precipitation for decades of simulated climate within a single day using one H100 GPU, while the probabilistic design enables ensemble generation for quantifying uncertainty. This establishes an AI-enabled pathway for affordably leveraging the realism of expensive km-scale simulations to support local climate adaptation planning and extreme event risk assessment.

Diffusion models have shown remarkable results in generating 2D images and small-scale 3D objects. However, their application to the synthesis of large-scale 3D scenes has been rarely explored. This is mainly due to the inherent complexity and bulky size of 3D scenery data, particularly outdoor scenes, and the limited availability of comprehensive real-world datasets, which makes training a stable scene diffusion model challenging. In this work, we explore how to effectively generate large-scale 3D scenes using the coarse-to-fine paradigm. We introduce a framework, the Pyramid Discrete Diffusion model (PDD), which employs scale-varied diffusion models to progressively generate high-quality outdoor scenes. Experimental results of PDD demonstrate our successful exploration in generating 3D scenes both unconditionally and conditionally. We further showcase the data compatibility of the PDD model, due to its multi-scale architecture: a PDD model trained on one dataset can be easily fine-tuned with another dataset. Code is available at https://github.com/yuhengliu02/pyramid-discrete-diffusion.

Numerical simulation of non-linear partial differential equations plays a crucial role in modeling physical science and engineering phenomena, such as weather, climate, and aerodynamics. Recent Machine Learning (ML) models trained on low-resolution spatio-temporal signals have shown new promises in capturing important dynamics in high-resolution signals, under the condition that the models can effectively recover the missing details. However, this study shows that significant information is often lost in the low-resolution down-sampled features. To address such issues, we propose a new approach, namely Temporal Stencil Modeling (TSM), which combines the strengths of advanced time-series sequence modeling (with the HiPPO features) and state-of-the-art neural PDE solvers (with learnable stencil modeling). TSM aims to recover the lost information from the PDE trajectories and can be regarded as a temporal generalization of classic finite volume methods such as WENO. Our experimental results show that TSM achieves the new state-of-the-art simulation accuracy for 2-D incompressible Navier-Stokes turbulent flows: it significantly outperforms the previously reported best results by 19.9% in terms of the highly-correlated duration time and reduces the inference latency into 80%. We also show a strong generalization ability of the proposed method to various out-of-distribution turbulent flow settings. Our code is available at "https://github.com/Edward-Sun/TSM-PDE".

We address causal reasoning in multivariate time series data generated by stochastic processes. Existing approaches are largely restricted to static settings, ignoring the continuity and emission of variations across time. In contrast, we propose a learning paradigm that directly establishes causation between events in the course of time. We present two key lemmas to compute causal contributions and frame them as reinforcement learning problems. Our approach offers formal and computational tools for uncovering and quantifying causal relationships in diffusion processes, subsuming various important settings such as discrete-time Markov decision processes. Finally, in fairly intricate experiments and through sheer learning, our framework reveals and quantifies causal links, which otherwise seem inexplicable.

Precise lesion resection depends on accurately identifying fine-grained anatomical structures. While many coarse-grained segmentation (CGS) methods have been successful in large-scale segmentation (e.g., organs), they fall short in clinical scenarios requiring fine-grained segmentation (FGS), which remains challenging due to frequent individual variations in small-scale anatomical structures. Although recent Mamba-based models have advanced medical image segmentation, they often rely on fixed manually-defined scanning orders, which limit their adaptability to individual variations in FGS. To address this, we propose ASM-UNet, a novel Mamba-based architecture for FGS. It introduces adaptive scan scores to dynamically guide the scanning order, generated by combining group-level commonalities and individual-level variations. Experiments on two public datasets (ACDC and Synapse) and a newly proposed challenging biliary tract FGS dataset, namely BTMS, demonstrate that ASM-UNet achieves superior performance in both CGS and FGS tasks. Our code and dataset are available at https://github.com/YqunYang/ASM-UNet.

We establish a fundamental connection between score-based diffusion models and non-equilibrium thermodynamics by deriving performance limits based on entropy rates. Our main theoretical contribution is a lower bound on the negative log-likelihood of the data that relates model performance to entropy rates of diffusion processes. We numerically validate this bound on a synthetic dataset and investigate its tightness. By building a bridge to entropy rates - system, intrinsic, and exchange entropy - we provide new insights into the thermodynamic operation of these models, drawing parallels to Maxwell's demon and implications for thermodynamic computing hardware. Our framework connects generative modeling performance to fundamental physical principles through stochastic thermodynamics.

Learning the continuous dynamics of a system from snapshots of its temporal marginals is a problem which appears throughout natural sciences and machine learning, including in quantum systems, single-cell biological data, and generative modeling. In these settings, we assume access to cross-sectional samples that are uncorrelated over time, rather than full trajectories of samples. In order to better understand the systems under observation, we would like to learn a model of the underlying process that allows us to propagate samples in time and thereby simulate entire individual trajectories. In this work, we propose Action Matching, a method for learning a rich family of dynamics using only independent samples from its time evolution. We derive a tractable training objective, which does not rely on explicit assumptions about the underlying dynamics and does not require back-propagation through differential equations or optimal transport solvers. Inspired by connections with optimal transport, we derive extensions of Action Matching to learn stochastic differential equations and dynamics involving creation and destruction of probability mass. Finally, we showcase applications of Action Matching by achieving competitive performance in a diverse set of experiments from biology, physics, and generative modeling.

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.

Online video understanding requires models to perform continuous perception and long-range reasoning within potentially infinite visual streams. Its fundamental challenge lies in the conflict between the unbounded nature of streaming media input and the limited context window of Multimodal Large Language Models (MLLMs). Current methods primarily rely on passive processing, which often face a trade-off between maintaining long-range context and capturing the fine-grained details necessary for complex tasks. To address this, we introduce EventMemAgent, an active online video agent framework based on a hierarchical memory module. Our framework employs a dual-layer strategy for online videos: short-term memory detects event boundaries and utilizes event-granular reservoir sampling to process streaming video frames within a fixed-length buffer dynamically; long-term memory structuredly archives past observations on an event-by-event basis. Furthermore, we integrate a multi-granular perception toolkit for active, iterative evidence capture and employ Agentic Reinforcement Learning (Agentic RL) to end-to-end internalize reasoning and tool-use strategies into the agent's intrinsic capabilities. Experiments show that EventMemAgent achieves competitive results on online video benchmarks. The code will be released here: https://github.com/lingcco/EventMemAgent.

Recently, integrating visual foundation models into large language models (LLMs) to form video understanding systems has attracted widespread attention. Most of the existing models compress diverse semantic information within the whole video and feed it into LLMs for content comprehension. While this method excels in short video understanding, it may result in a blend of multiple event information in long videos due to coarse compression, which causes information redundancy. Consequently, the semantics of key events might be obscured within the vast information that hinders the model's understanding capabilities. To address this issue, we propose a Hierarchical Event-based Memory-enhanced LLM (HEM-LLM) for better understanding of long videos. Firstly, we design a novel adaptive sequence segmentation scheme to divide multiple events within long videos. In this way, we can perform individual memory modeling for each event to establish intra-event contextual connections, thereby reducing information redundancy. Secondly, while modeling current event, we compress and inject the information of the previous event to enhance the long-term inter-event dependencies in videos. Finally, we perform extensive experiments on various video understanding tasks and the results show that our model achieves state-of-the-art performances.

We present a method for parametrizing sub-grid processes in the Shallow Water equations. We define coarse variables and local spatial averages and use a feed-forward neural network to learn sub-grid fluxes. Our method results in a local parametrization that uses a four-point computational stencil, which has several advantages over globally coupled parametrizations. We demonstrate numerically that our method improves energy balance in long-term turbulent simulations and also accurately reproduces individual solutions. The neural network parametrization can be easily combined with flux limiting to reduce oscillations near shocks. More importantly, our method provides reliable parametrizations, even in dynamical regimes that are not included in the training data.

Biological tissues exhibit complex behaviors with their dynamics often resembling inert soft matter such as liquids, polymers, colloids, and liquid crystals. These analogies enable physics-based approaches for investigations of emergent behaviors in biological processes. A well-studied case is the spreading of cellular aggregates on solid surfaces, where they display dynamics similar to viscous droplets. In vivo, however, cells and tissues are in a confined environment with varying geometries and mechanical properties to which they need to adapt. In this work, we compressed cellular aggregates between two solid surfaces and studied their dynamics using microscopy, and computer simulations. The confined cellular aggregates transitioned from compressed spheres into dynamic living capillary bridges exhibiting bridge thinning and a convex-to-concave meniscus curvature transition. We found that the stability of the bridge is determined by the interplay between cell growth and cell spreading on the confining surfaces. This interaction leads to bridge rupture at a critical length scale determined by the distance between the plates. The force distributions, formation and stability regimes of the living capillary bridges were characterized with full 3D computer simulations that included cell division, migration and growth dynamics, directly showing how mechanical principles govern the behavior of the living bridges; cellular aggregates display jamming and stiffening analogously to granular matter, and cell division along the long axis enhances thinning. Based on our results, we propose a new class of active soft matter behavior, where cellular aggregates exhibit liquid-like adaptation to confinement, but with self-organized rupturing driven by biological activity.

Event sequences (ESs) arise in many practical domains including finance, retail, social networks, and healthcare. In the context of machine learning, event sequences can be seen as a special type of tabular data with annotated timestamps. Despite the importance of ESs modeling and analysis, little effort was made in adapting large language models (LLMs) to the ESs domain. In this paper, we highlight the common difficulties of ESs processing and propose a novel solution capable of solving multiple downstream tasks with little or no finetuning. In particular, we solve the problem of working with long sequences and improve time and numeric features processing. The resulting method, called ESQA, effectively utilizes the power of LLMs and, according to extensive experiments, achieves state-of-the-art results in the ESs domain.

The heavy-tailed nature of precipitation intensity impedes precise precipitation nowcasting. Standard models that optimize pixel-wise losses are prone to regression-to-the-mean bias, which blurs extreme values. Existing Fourier-based methods also lack the spatial localization needed to resolve transient convective cells. To overcome these intrinsic limitations, we propose WADEPre, a wavelet-based decomposition model for extreme precipitation that transitions the modeling into the wavelet domain. By leveraging the Discrete Wavelet Transform for explicit decomposition, WADEPre employs a dual-branch architecture: an Approximation Network to model stable, low-frequency advection, isolating deterministic trends from statistical bias, and a spatially localized Detail Network to capture high-frequency stochastic convection, resolving transient singularities and preserving sharp boundaries. A subsequent Refiner module then dynamically reconstructs these decoupled multi-scale components into the final high-fidelity forecast. To address optimization instability, we introduce a multi-scale curriculum learning strategy that progressively shifts supervision from coarse scales to fine-grained details. Extensive experiments on the SEVIR and Shanghai Radar datasets demonstrate that WADEPre achieves state-of-the-art performance, yielding significant improvements in capturing extreme thresholds and maintaining structural fidelity. Our code is available at https://github.com/sonderlau/WADEPre.

Asynchronous events on the continuous time domain, e.g., social media actions and stock transactions, occur frequently in the world. The ability to recognize occurrence patterns of event sequences is crucial to predict which typeof events will happen next and when. A de facto standard mathematical framework to do this is the Hawkes process. In order to enhance expressivity of multivariate Hawkes processes, conventional statistical methods and deep recurrent networks have been employed to modify its intensity function. The former is highly interpretable and requires small size of training data but relies on correct model design while the latter has less dependency on prior knowledge and is more powerful in capturing complicated patterns. We leverage pros and cons of these models and propose a self-attentive Hawkes process(SAHP). The proposed method adapts self-attention to fit the intensity function of Hawkes processes. This design has two benefits:(1) compared with conventional statistical methods, the SAHP is more powerful to identify complicated dependency relationships between temporal events; (2)compared with deep recurrent networks, the self-attention mechanism is able to capture longer historical information, and is more interpretable because the learnt attention weight tensor shows contributions of each historical event. Experiments on four real-world datasets demonstrate the effectiveness of the proposed method.

While transfer learning is an advantageous strategy, it overlooks the opportunity to leverage knowledge from numerous available models online. Addressing this multi-source transfer learning problem is a promising path to boost adaptability and cut re-training costs. However, existing approaches are inherently coarse-grained, lacking the necessary precision for granular knowledge extraction and the aggregation efficiency required to fuse knowledge from either a large number of source models or those with high parameter counts. We address these limitations by leveraging Singular Value Decomposition (SVD) to first decompose each source model into its elementary, rank-one components. A subsequent aggregation stage then selects only the most salient components from all sources, thereby overcoming the previous efficiency and precision limitations. To best preserve and leverage the synthesized knowledge base, our method adapts to the target task by fine-tuning only the principal singular values of the merged matrix. In essence, this process only recalibrates the importance of top SVD components. The proposed framework allows for efficient transfer learning, is robust to perturbations both at the input level and in the parameter space (e.g., noisy or pruned sources), and scales well computationally.

Many natural dynamic processes -- such as in vivo cellular differentiation or disease progression -- can only be observed through the lens of static sample snapshots. While challenging, reconstructing their temporal evolution to decipher underlying dynamic properties is of major interest to scientific research. Existing approaches enable data transport along a temporal axis but are poorly scalable in high dimension and require restrictive assumptions to be met. To address these issues, we propose \textbf{Multi-Marginal temporal Schr\"odinger Bridge Matching} (MMtSBM) for video generation from unpaired data, extending the theoretical guarantees and empirical efficiency of Diffusion Schr\"odinger Bridge Matching (arXiv:archive/2303.16852) by deriving the Iterative Markovian Fitting algorithm to multiple marginals in a novel factorized fashion. Experiments show that MMtSBM retains theoretical properties on toy examples, achieves state-of-the-art performance on real world datasets such as transcriptomic trajectory inference in 100 dimensions, and for the first time recovers couplings and dynamics in very high dimensional image settings. Our work establishes multi-marginal Schr\"odinger bridges as a practical and principled approach for recovering hidden dynamics from static data.

Financial market movements are often driven by discrete financial events conveyed through news, whose impacts are heterogeneous, abrupt, and difficult to capture under purely numerical prediction objectives. These limitations have motivated growing interest in using textual information as the primary source of trading signals in learning-based systems. Two key challenges hinder existing approaches: (1) the absence of large-scale, event-centric datasets that jointly model news semantics and statistically grounded market reactions, and (2) the misalignment between language model reasoning and financially valid trading behavior under dynamic market conditions. To address these challenges, we propose Janus-Q, an end-to-end event-driven trading framework that elevates financial news events from auxiliary signals to primary decision units. Janus-Q unifies event-centric data construction and model optimization under a two-stage paradigm. Stage I focuses on event-centric data construction, building a large-scale financial news event dataset comprising 62,400 articles annotated with 10 fine-grained event types, associated stocks, sentiment labels, and event-driven cumulative abnormal return (CAR). Stage II performs decision-oriented fine-tuning, combining supervised learning with reinforcement learning guided by a Hierarchical Gated Reward Model (HGRM), which explicitly captures trade-offs among multiple trading objectives. Extensive experiments demonstrate that Janus-Q achieves more consistent, interpretable, and profitable trading decisions than market indices and LLM baselines, improving the Sharpe Ratio by up to 102.0% while increasing direction accuracy by over 17.5% compared to the strongest competing strategies.

Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamics (MD) simulations are computationally infeasible because of the high energy barriers that separate these states. Although recent machine learning techniques are proposed to sample rare events, they are often limited to simple systems and rely on collective variables (CVs) derived from costly domain expertise. In this paper, we introduce a novel approach that trains diffusion path samplers (DPS) to address the transition path sampling (TPS) problem without requiring CVs. We reformulate the problem as an amortized sampling from the transition path distribution by minimizing the log-variance divergence between the path distribution induced by DPS and the transition path distribution. Based on the log-variance divergence, we propose learnable control variates to reduce the variance of gradient estimators and the off-policy training objective with replay buffers and simulated annealing techniques to improve sample efficiency and diversity. We also propose a scale-based equivariant parameterization of the bias forces to ensure scalability for large systems. We extensively evaluate our approach, termed TPS-DPS, on a synthetic system, small peptide, and challenging fast-folding proteins, demonstrating that it produces more realistic and diverse transition pathways than existing baselines.

Here we present a machine learning framework and model implementation that can learn to simulate a wide variety of challenging physical domains, involving fluids, rigid solids, and deformable materials interacting with one another. Our framework---which we term "Graph Network-based Simulators" (GNS)---represents the state of a physical system with particles, expressed as nodes in a graph, and computes dynamics via learned message-passing. Our results show that our model can generalize from single-timestep predictions with thousands of particles during training, to different initial conditions, thousands of timesteps, and at least an order of magnitude more particles at test time. Our model was robust to hyperparameter choices across various evaluation metrics: the main determinants of long-term performance were the number of message-passing steps, and mitigating the accumulation of error by corrupting the training data with noise. Our GNS framework advances the state-of-the-art in learned physical simulation, and holds promise for solving a wide range of complex forward and inverse problems.