State Space Models (SSMs) have become the leading alternative to Transformers for sequence modeling tasks. Their primary advantage is efficiency in long-context and long-form generation, enabled by fixed-size memory and linear scaling of computational complexity. We begin this work by showing a simple theoretical result stating that SSMs cannot accurately solve any "truly long-form" generation problem (in a sense we formally define), undermining their main competitive advantage. However, we show that this limitation can be mitigated by allowing SSMs interactive access to external tools. In fact, we show that given the right choice of tool access and problem-dependent training data, SSMs can learn to solve any tractable problem and generalize to arbitrary problem length/complexity (i.e., achieve length generalization). Following our theoretical finding, we demonstrate that tool-augmented SSMs achieve remarkable length generalization on a variety of arithmetic, reasoning, and coding tasks. These findings highlight SSMs as a potential efficient alternative to Transformers in interactive tool-based and agentic settings.
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Computer Vision · Everything Else
Generating realistic human-object interaction (HOI) animations remains challenging because it requires jointly modeling dynamic human actions and diverse object geometries. Prior diffusion-based approaches often rely on handcrafted contact priors or human-imposed kinematic constraints to improve contact quality. We propose a data-driven alternative in which guidance emerges from the denoising pace itself, reducing dependence on manually designed priors. Building on diffusion forcing, we factor the representation into modality-specific components and assign individualized noise levels with asynchronous denoising schedules. In this paradigm, cleaner components guide noisier ones through cross-attention, yielding guidance without auxiliary classifiers. We find that this data-driven guidance is inherently contact-aware, and can be further enhanced when training is augmented with a broad spectrum of synthetic object geometries, encouraging invariance of contact semantics to geometric diversity. Extensive experiments show that pace-induced guidance more effectively mirrors the benefits of contact priors than conventional classifier-free guidance, while achieving higher contact fidelity, more realistic HOI generation, and stronger generalization to unseen objects and tasks.
Applications · Chemistry and Drug Discovery
Accurate prediction of protein-ligand binding affinities remains a cornerstone problem in drug discovery. While binding affinity is inherently dictated by the 3D structure and dynamics of protein-ligand complexes, current deep learning approaches are limited by the lack of high-quality experimental structures with annotated binding affinities. To address this limitation, we introduce the Structurally Augmented IC50 Repository (SAIR), the largest publicly available dataset of protein-ligand 3D structures with associated activity data. The dataset comprises $5,244,285$ structures across $1,048,857$ unique protein-ligand systems, curated from the ChEMBL and BindingDB databases, which were then computationally folded using the Boltz-1x model. We provide a comprehensive characterization of the dataset, including distributional statistics of proteins and ligands, and evaluate the structural fidelity of the folded complexes using PoseBusters. Our analysis reveals that approximately $3 \%$ of structures exhibit physical anomalies, predominantly related to internal energy violations. As an initial demonstration, we benchmark several binding affinity prediction methods, including empirical scoring functions (Vina, Vinardo), a 3D convolutional neural network (Onionnet-2), and a graph neural network (AEV-PLIG). While machine learning-based models consistently outperform traditional scoring function methods, neither exhibit a high correlation with ground truth affinities, highlighting the need for models specifically fine-tuned to synthetic structure distributions. This work provides a foundation for developing and evaluating next-generation structure and binding-affinity prediction models and offers insights into the structural and physical underpinnings of protein-ligand interactions. The link to the data will be added upon publication, to preserve anonymity of the submission.
Applications · Language, Speech and Dialog
Associative memory systems face significant challenges in efficiently retrieving semantically related information from large document collections, particularly when queries require traversing complex relationships between concepts. Traditional retrieval-augmented generation (RAG) approaches often struggle to capture intricate associative patterns and relationships embedded within textual data. To address this limitation, we propose BrowseNet, a novel associative memory framework that leverages query-specific subgraph exploration within a named-entity-based graph for enhanced information retrieval. Our method transforms unstructured text into a graph-of-chunks representation, where nodes encode document chunks with semantic embeddings and edges capture lexical relationships between content segments. By dynamically traversing the graph-of-chunks based on query characteristics, BrowseNet emulates content-addressable memory systems that enable efficient pattern matching and associative recall. The framework incorporates both structural similarity derived from lexical relationships and semantic similarity based on embedding representations to optimize retrieval performance. We evaluate BrowseNet against established RAG baselines and state-of-the-art (SOTA) pipelines using publicly available datasets that require associative reasoning across multiple information sources. Experimental results demonstrate that BrowseNet achieves SOTA performance in exact match score over both the graph-based RAG approaches and the dense retrieval methods. The two-pronged approach combining structural graph traversal with semantic embeddings enables more effective associative memory retrieval, particularly for queries requiring the integration of disparate but related information. The code and datasets are open-sourced at: https://github.com/bisect-group/BrowseNet
Theory · Learning Theory
Motivated by the prevalence and success of machine learning, a line of recent work has studied learning-augmented algorithms in the streaming model. These results have shown that for natural and practical oracles implemented with machine learning models, we can obtain streaming algorithms with improved space efficiency that are otherwise provably impossible. On the other hand, our understanding is much more limited for the sliding window model, which captures applications where either recent data leads to better or older data must be expunged from the dataset, e.g., by privacy regulation laws. In this paper, we utilize an oracle for the heavy-hitters of datasets to give learning-augmented algorithms for a number of fundamental problems in the sliding window model, such as norm/moment estimation, frequency estimation, cascaded norms, and rectangular moment estimation. We complement our theoretical results with a number of empirical evaluations that demonstrate the practical efficiency of our algorithms on real and synthetic datasets.
Applications · Time Series
Anomaly detection in time series is essential for applications from industrial monitoring to financial risk management. Recent methods --- including forecasting error models, representation learning, augmentation, and weak-label learning --- have achieved strong results for specific anomaly types such as sudden point or gradual collective anomalies. While many prior works report window-level metrics that may mask errors, several recent methods evaluate at the point level as well. Our goal is to use a stricter point-wise protocol to make masking effects explicit. We introduce FOLD (Point-wise Anomaly Detection via fold-bifurcation), a framework that reframes detection as tracking a system’s proximity to a critical transition. FOLD extracts stress signals from a forecasting model and integrates them with a fold-bifurcation inspired ODE to produce the risk state, flagging anomalies once it crosses a threshold calibrated on normal data. This requires no anomaly labels and no additional detector training, enabling a parameter-free and efficient detection process. By modeling anomalies as stress accumulation toward a tipping point, FOLD naturally aligns with point-wise detection, providing a unifying and interpretable perspective that complements type-specific methods. Experiments on 40 benchmarks against 34 state-of-the-art baselines show that FOLD achieves competitive or superior performance, with particular strength under strict point-wise evaluation.
Applications · Language, Speech and Dialog
Data-analytic agents are emerging as a key catalyst for automated scientific discovery and for the vision of Innovating AI. Current approaches, however, rely heavily on prompt engineering over proprietary models, while open-source models struggle to face diverse-format, large-scale data files and long-horizon, multi-step reasoning that real-world analytics demands. This paper introduces DataMind, a scalable data synthesis and agent training recipe designed to build generalist data-analytic agents. DataMind tackles three key challenges in building open-source data-analytic agents, including insufficient data resources, improper training strategy, and unstable code-based multi-turn rollout. Concretely, DataMind applies 1) a fine-grained task taxonomy and a recursive easy-to-hard task composition mechanism to increase the diversity and difficulty of synthesized queries; 2) a knowledge-augmented trajectory sampling strategy followed by model-based and rule-based filtering; 3) a dynamically adjustable training objective combining both SFT and RL losses; 4) a memory-frugal and stable code-based multi-turn rollout framework. Built on DataMind, we curate DataMind-12K, a high-quality trajectory set spanning diverse domains, task categories, and data file formats for data-analytic tasks. Trained on DataMind-12K, our DataMind-14B achieves state-of-the-art with an average score of 71.16% on multiple data analysis benchmarks, outperforming the strongest proprietary baselines DeepSeek-V3.1 and GPT-5. Our DataMind-7B also performs best among all open-source models with a score of 68.10%. We also incorporate some empirical insights gained from our exploratory trials into the analysis experiments, aiming to provide actionable insights about agentic training for the community. We will release DataMind-12K and DataMind-7B,14B for the community's future research.
Computer Vision · 3D Rendering & Reconstruction
Implicit Neural Representations (INRs) have emerged as promising surrogates for large 3D scientific simulations due to their ability to continuously model spatial and conditional fields, yet they face a critical fidelity-speed dilemma: deep MLPs suffer from high inference cost, while efficient embedding-based models lack sufficient expressiveness. To resolve this, we propose the Decoupled Representation Refinement (DRR) architectural paradigm. DRR leverages a deep refiner network, alongside non-parametric transformations, in a one-time offline process to encode rich representations into a compact and efficient embedding structure. This approach decouples slow neural networks with high representational capacity from the fast inference path. We introduce DRR-Net, a simple network that validates this paradigm, and a novel data augmentation strategy, Variational Pairs (VP) for improving INRs under complex tasks like high-dimensional surrogate modeling. Experiments on several ensemble simulation datasets demonstrate that our approach achieves state-of-the-art fidelity, while being up to 27$\times$ faster at inference than high-fidelity baselines and remaining competitive with the fastest models. The DRR paradigm offers an effective strategy for building powerful and practical neural field surrogates and INRs in broader applications, with a minimal compromise between speed and quality.
We introduce **EA3D**, an Event-Augmented 3D Diffusion framework for generalizable novel view synthesis from event streams and sparse RGB inputs. Existing approaches either rely solely on RGB frames for generalizable synthesis, which limits their robustness under rapid camera motion, or require per-scene optimization to exploit event data, undermining scalability. EA3D addresses these limitations by jointly leveraging the complementary strengths of asynchronous events and RGB imagery. At its core lies a learnable EA-Renderer, which constructs view-dependent 3D features within target camera frustums by fusing appearance cues from RGB frames with geometric structure extracted from adaptively sliced event voxels. These features condition a 3D-informed diffusion model, enabling high-fidelity and temporally consistent novel view generation along arbitrary camera trajectories. To further enhance scalability and generalization, we develop the Event-DL3DV dataset, a large-scale 3D benchmark pairing diverse synthetic event streams with photorealistic multi-view RGB images and depth maps. Extensive experiments on both real-world and synthetic event data demonstrate that EA3D consistently outperforms optimization-based and generalizable baselines, achieving superior fidelity and cross-scene generalization.
Optimization · Learning for Optimization
Learned optimizers are powerful alternatives to hand-designed update rules like Adam, yet they have seen limited practical adoption since they often fail to meta-generalize beyond their training distribution and incur high meta-training cost. For instance, prior work, VeLO, scaled meta-training to 4,000 TPU months ($\sim$10$\times$ GPT-3 compute) to meta-train a general-purpose optimizer but it failed to generalize beyond 600M parameters tasks. In this work, we present a surprising finding: by crafting a simple normalized optimizer architecture and augmenting meta-training, it becomes feasible to meta-train a performant general-purpose learned update rule on a tiny fraction of VeLO compute, 4.5 GPU hours to be precise. Our learned update rule scales stably to a billion-scale pretraining task (GPT-3 XL 1.3B) which is six orders of magnitude larger than its meta-training distribution. Furthermore, it shows strong performance across diverse out-of-distribution tasks and is compatible with modern optimization harness that includes orthogonalization, distinct update rules for input-output and hidden weights, and decoupled weight decay. In all, this work paves the way for practically applicable _learnable_ optimization algorithms, unlocking exploration of richer meta-training and data curation recipes to further improve performance.
Reinforcement Learning · Deep RL
Large Language Model (LLM) agents show great promise for complex multi-turn tool-use tasks, but their development is often hampered by the extreme scarcity of high-quality training data. Supervised fine-tuning (SFT) on synthetic data leads to overfitting, whereas standard reinforcement learning (RL) struggles with a critical cold-start problem and training instability. To address these challenges, we introduce $\textbf{Environment Tuning}$, a novel training paradigm that enables agents to learn complex behaviors directly from problem instances without relying on pre-collected expert trajectories. $\textbf{Environment Tuning}$ orchestrates this learning process through a structured curriculum, actionable environment augmentation that provides corrective feedback, and fine-grained progress rewards to ensure stable and efficient exploration. Using only 400 problem instances from Berkeley Function-Calling Leaderboard (BFCL) benchmark, our method not only achieves competitive in-distribution performance against strong baselines but also demonstrates superior out-of-distribution generalization, overcoming the performance collapse common to SFT-based approaches. Our work presents a paradigm shift from supervised fine-tuning on static trajectories to dynamic, environment-based exploration, paving the way for training more robust and data-efficient agents.
Applications · Language, Speech and Dialog
As language models gain access to external tools through structured function calls, they become increasingly more capable of solving complex, multi-step tasks. However, existing benchmarks for tool-augmented language models (TaLMs) provide insufficient control over factors such as the number of functions accessible, task complexity, and input size, and remain vulnerable to data contamination. We present FuncBenchGen, a unified, contamination-free framework that evaluates TaLMs by generating synthetic multi-step tool-use tasks to stress-test TaLMs. The key idea is to cast tool use as traversal over a hidden function-dependency DAG where nodes are function calls and an edge between nodes represents one function consuming the output of another. Given a set of external function schemas, initial variable values, and a target variable, models must compose the correct call sequence to compute the target variable. FuncBenchGen allows users to precisely control task difficulty (e.g., graph size, dependency depth, and distractor functions) while avoiding pretraining/test-time leakage. We apply our FuncBenchGen framework to evaluate seven open and closed LLMs on tool use tasks of varying difficulty. Reasoning-optimized models consistently outperform general-purpose models with GPT-5 significantly outperforming other available models. Performance declines sharply as dependency depth increases. Furthermore, connected distractors---irrelevant functions sharing type-compatible variables with relevant functions---prove especially difficult to handle. We find that strong models often make syntactically valid function calls but propagate incorrect or stale argument values across steps, revealing brittle state tracking by LLMs in multi-turn tool use. Motivated by this observation, we introduce a simple mitigation strategy that explicitly restates prior variable values to the agent at each step. Surprisingly, this lightweight change yields substantial gains across models. e.g., yielding an improvement in success rate from 62.5\% to 81.3\% for GPT-5, without modifying the underlying architectures or training.
Model merging combines independent solutions with different capabilities into a single one while maintaining the same inference cost. Two popular approaches are _linear interpolation_, which simply averages multiple model weights, and _task arithmetic_, which combines task vectors obtained by the difference between finetuned and base models. While useful in practice, what properties make merging effective are poorly understood. This paper explores how the optimization dynamics affect the loss landscape geometry and its impact on merging success. We show that a single quantity -- the _effective noise scale_ -- unifies the impact of different optimizer components on model merging. Across architectures and datasets, merging success is a non-monotonic function of the effective noise scale, with a distinct optimum. Decomposing this quantity, we find that larger learning rates, stronger weight decay, smaller batch sizes, and data augmentation all independently modulate the effective noise scale and exhibit the same qualitative trend. Unlike prior work connecting optimizer noise to the flatness or generalization of _individual_ minima, we show that it also affects the _global_ loss landscape, predicting when independently trained solutions can be successfully merged. Our findings broaden the understanding of how optimization shapes the loss landscape geometry and its consequences for model merging, suggesting that training dynamics could be further manipulated to improve model merging.
Applications · Language, Speech and Dialog
Reinforcement learning (RL) based on the final answer's reward has driven recent progress in small language models (SLMs) on reasoning-heavy tasks such as math and code. However, applying the same techniques to retrieval-augmented generation (RAG) benchmarks like multi-hop QA has yielded limited gains—often trailing supervised or prompting-only baselines. Instead, we argue that a viable path for RL in multi-hop QA is to use test-time scaling judiciously, for optimizing both the final answer accuracy and the efficiency in reaching that answer. We propose FrugalRAG, a two-stage finetuning framework that adaptively _reduces_ the number of retrieval steps based on a question's difficulty. First, we train an SLM with supervised finetuning on a full-exploration policy that generates broad sub-queries. Then, we apply RL to adaptively prune search depth based on question difficulty, directly rewarding policies that balance correctness with frugality. Unlike prior approaches requiring 10× more data, our method achieves competitive performance with only ~1,000 examples. On HotPotQA and other multi-hop QA benchmarks, FrugalRAG attains state-of-the-art efficiency–accuracy tradeoffs, cutting retrieval cost nearly in half. Moreover, on the challenging BrowseCompPlus benchmark, it generalizes zero-shot and surpasses SLM-based and other baselines. These results demonstrate the use of RL—not to increase reasoning steps but to reduce them—as an effective solution for scalable, efficient RAG.
Optimization · Sampling and Optimization
Deep generative models hold great promise for representing complex physical systems, but their deployment is currently limited by the lack of guarantees on the physical plausibility of the generated outputs. Ensuring that known physical constraints are enforced is therefore critical when applying generative models to scientific and engineering problems. We address this limitation by developing a principled framework for sampling from a target distribution while rigorously satisfying physical constraints. Leveraging the variational formulation of Langevin dynamics, we propose Split Augmented Langevin (CASAL), a novel primal-dual sampling algorithm that enforces constraints progressively through variable splitting, with convergence guarantees. While the method is developed theoretically for Langevin dynamics, we demonstrate its effective applicability to diffusion models. We apply our method to diffusion-based data assimilation on a complex physical system, where enforcing physical constraints substantially improves both forecast accuracy and the preservation of critical conserved quantities. We also demonstrate the potential of CASAL for challenging feasibility problems in optimal control.
General Machine Learning · Everything Else
Distribution shifts introduce uncertainty that undermines the robustness and generalization capabilities of machine learning models. While conventional wisdom suggests that learning causal-invariant representations enhances robustness to such shifts, recent empirical studies present a counterintuitive finding: (i) empirical risk minimization (ERM) can rival or even outperform state-of-the-art out-of-distribution (OOD) generalization methods, and (ii) OOD generalization performance improves when all available covariates, including non-causal ones, are utilized. We present theoretical and empirical explanations that attribute this phenomenon to hidden confounding. Shifts in hidden confounding induce changes in data distributions that violate assumptions commonly made by existing approaches. Under such conditions, we prove that generalization requires learning environment-specific relationships, rather than relying solely on invariant ones. Furthermore, we explain why models augmented with non-causal but informative covariates can mitigate the challenges posed by hidden confounding shifts. These findings offer new theoretical insights and practical guidance, serving as a roadmap for future research on OOD generalization and principled covariate-selection strategies.
Reinforcement Learning · Deep RL
While reasoning models trained with reinforcement learning (RL) excel in reasoning, they struggle in scenarios requiring structured problem-solving, such as geometric reasoning, concise computation, or complex equation solving—areas where computational tools like code interpreters (CI) demonstrate distinct advantages. To bridge this gap, we propose ReTool, which enhances long-form reasoning with tool-integrated learning, including two key features: (1) dynamic interleaving of real-time code execution within natural language reasoning processes, and (2) an automated RL paradigm that allows policy rollouts with multi-turn real-time code execution and teaches the model in learning when and how to invoke tools based on outcome feedback. ReTool employs a systematic training framework, beginning with synthetic code-augmented long-form reasoning data for cold-start training. Subsequent RL training leverages task outcomes as rewards to iteratively refine the model's tool use strategy, enabling autonomous discovery of optimal tool invocation patterns without human priors. Experiments on challenging MATH Olympiad benchmark AIME demonstrate ReTool's superiority: Our 32B model achieves 67% accuracy with 400 training steps, outperforming text-based RL baseline (40% accuracy, 1080 steps) in performance and efficiency. Remarkably, ReTool-32B attains 72.5% accuracy in extended settings, surpassing OpenAI's o1-preview by 27.9%. Further analysis reveals generalization to broader tool-use scenarios and emergent behaviors such as code self-correction, signaling an ''aha moment'' in which the model autonomously masters adaptive tool use. These findings highlight the promise of outcome-driven tool integration for advancing complex mathematical reasoning and offer new insights into hybrid neuro-symbolic systems.
Computer Vision · Image and Video Generation
While modern visual generation models excel at creating aesthetically pleasing natural images, they struggle with producing or editing structured visuals like charts, diagrams, and mathematical figures, which demand composition planning, text rendering, and multimodal reasoning for factual fidelity. To address this, we present the first comprehensive, systematic investigation of this domain, encompassing data construction, model training, and an evaluation benchmark. First, we construct a large-scale dataset of 1.3 million high-quality structured image pairs derived from executable drawing programs and augmented with chain-of-thought reasoning annotations. Building on it, we train a unified model that integrates a VLM with FLUX.1 Kontext via a lightweight connector for enhanced multimodal understanding. A three-stage training curriculum enables progressive feature alignment, knowledge infusion, and reasoning-augmented generation, further boosted by an external reasoner at inference time. Finally, we introduce StructBench, a novel benchmark for generation and editing with over 1,700 challenging instances, and an accompanying evaluation metric, StructScore, which employs a multi-round Q\&A protocol to assess fine-grained factual accuracy. Evaluations of 15 models reveal that even leading closed-source systems remain far from satisfactory. Our model attains strong editing performance, and inference-time reasoning yields consistent gains across diverse architectures. By releasing the dataset, model, and benchmark, we aim to advance unified multimodal foundations for structured visuals.
Deep Learning · Everything Else
Large language models learn from their vast pre-training corpora, gaining the ability to solve an ever increasing variety of tasks; yet although researchers work to improve these datasets, there is little effort to understand how efficient the pre-training apparatus is at extracting ideas and knowledge from the data. In this work, we use retrieval augmented generation along with test-time compute as a way to quantify how much dataset value was left behind by the process of pre-training, and how this changes across scale. We demonstrate that pre-training then retrieving from standard and largely open-sourced datasets results in significant accuracy gains in MMLU, Math-500, and SimpleQA, which persist through decontamination. For MMLU we observe that retrieval acts as a ~5x compute multiplier versus pre-training alone. We show that these results can be further improved by leveraging additional compute at test time to parse the retrieved context, demonstrating a 10 percentage point improvement on MMLU for the public LLaMA 3.1 8B model. Overall, our results suggest that today's pre-training methods do not make full use of the information in existing pre-training datasets, leaving significant room for progress.
Multi-modal datasets are critical for a wide range of applications, but in practice, they often suffer from missing modalities. This motivates the task of Missing Modality Completion (MMC), which aims to reconstruct missing modalities from the available ones to fully exploit multi-modal data. While pre-trained generative models offer a natural solution, directly applying them to domain-specific MMC is often ineffective, and fine-tuning suffers from limitations like limited complete samples, restricted API access, and high cost. To address these issues, we propose RAG4DMC, a retrieval-augmented generation framework for data-level MMC. RAG4DMC builds a dual knowledge base from complete in-dataset samples and external public datasets, enhanced with feature alignment and clustering-based filtering to mitigate modality and domain shifts. A multi-modal fusion retrieval mechanism combining intra-modal retrieval with cross-modal fusion then provides relevant context to guide generation, followed by a candidate selection mechanism for coherent completion. Extensive experiments on general and domain-specific datasets demonstrate that our method produces more accurate and semantically coherent missing-modality completions, resulting in substantial improvements in downstream image–text retrieval and image captioning tasks.