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Deep Learning · Large Language Models

Felix Parker, Nimeesha Chan, Chi Zhang, Kimia Ghobadi

Time series data is fundamental to decision-making across many domains including healthcare, finance, power systems, and logistics. However, analyzing this data correctly often requires incorporating unstructured contextual information, answering domain-specific questions, and generating natural language explanations – capabilities that traditional time series models lack. While Large Language Models (LLMs) excel at contextual reasoning and knowledge integration, they struggle with numerical time series due to inefficient text-based representations and limited exposure to numerical data during pretraining. We address this gap by augmenting an LLM with specialized time series perception through a patch-based encoder-decoder architecture. We train this Time Series-augmented LLM (TsLLM) on a large corpus of over 20 billion tokens of interleaved time series and text spanning diverse tasks: forecasting with contextual information, question-answering, anomaly detection, classification, report generation, and more, all unified as next token prediction. This training enables TsLLM to leverage both its language understanding and newly acquired temporal reasoning capabilities. While not designed to surpass specialized models on traditional benchmarks, TsLLM demonstrates strong performance on tasks requiring the integration of time series analysis with natural language – capabilities that existing approaches cannot provide. It also exhibits strong zero-shot and few-shot performance, showing it can adapt to new data without additional training.

Deep Learning · Sequential Models, Time series

Xiaohui Zhou, Yijie Wang, Hongzuo Xu, Weixuan Liang, Xiaoli Li, Guansong Pang

Open-set anomaly detection (OSAD) is an emerging paradigm designed to utilize limited labeled data from anomaly classes seen in training to identify both seen and unseen anomalies during testing. Current approaches rely on simple augmentation methods to generate pseudo anomalies that replicate unseen anomalies. Despite being promising in image data, these methods are found to be ineffective in time series data due to the failure to preserve its sequential nature, resulting in trivial or unrealistic anomaly patterns. They are further plagued when the training data is contaminated with unlabeled anomalies. This work introduces $\textbf{IMPACT}$, a novel framework that leverages $\underline{\textbf{i}}$nfluence $\underline{\textbf{m}}$odeling for o$\underline{\textbf{p}}$en-set time series $\underline{\textbf{a}}$nomaly dete$\underline{\textbf{ct}}$ion, to tackle these challenges. The key insight is to $\textbf{i)}$ learn an influence function that can accurately estimate the impact of individual training samples on the modeling, and then $\textbf{ii)}$ leverage these influence scores to generate semantically divergent yet realistic unseen anomalies for time series while repurposing high-influential samples as supervised anomalies for anomaly decontamination. Extensive experiments show that IMPACT significantly outperforms existing state-of-the-art methods, showing superior accuracy under varying OSAD settings and contamination rates.

Theory · Learning Theory

Giorgio Racca, Michal Valko, Amartya Sanyal

As scaling laws push the training of frontier large language models (LLMs) toward ever larger data requirements, training pipelines are approaching a regime where much of the publicly available online text may be consumed. At the same time, widespread LLM usage increases the volume of machine-generated content on the web; together, these trends raise the likelihood of generated content re-entering future training corpora, increasing the associated risk of *model collapse*. In practice, model developers address this concern through data cleaning, watermarking, synthetic-data policies, or by simply ignoring the issue. However, the problem of model collapse in generative models has not been examined from a learning-theoretic perspective: we study it through the theoretical lens of the *language generation in the limit* framework, introducing a *replay* adversary that augments the example stream with the generator's own past outputs. Our main contribution is a fine-grained learning-theoretic characterization of when replay fundamentally limits generation: while replay is benign for the strongest notion of uniform generation, it provably creates separations for the weaker notions of non-uniform generation and generation in the limit. Interestingly, our positive results mirror heuristics widely used in practice, such as data cleaning, watermarking, and output filtering, while our separations show when these ideas can fail.

Deep Learning · Theory

Fares Mehouachi, Saif Jabari

Neural operators learn mappings between function spaces, enabling fast PDE surrogates. Despite architectural diversity, these methods often share a common input representation: raw coordinate-value pairs. This ignores the differential structure that defines the underlying physics. We study whether derivative features can improve neural operator learning. Through Picard iteration on mild solutions, we show that derivatives of the input naturally enter PDE solution operators, and we prove that providing them improves approximation rates substantially. But the optimal derivative order is not what one might expect. We show that the statistically optimal order is strictly less than the PDE order, for any finite sample size. This gap arises from a bias-variance tradeoff: higher-order derivatives carry more information but amplify noise. We characterize this tradeoff in closed form and show that learning the derivative order from data achieves automatic spectral regularization. We introduce $\partial$-NO (derivative-augmented neural operators), a simple augmentation that provides learnable fractional derivative features to any neural operator backbone. Across benchmarks, this consistently improves accuracy. Learned orders reflect dominant PDE structure while adapting to finite-sample constraints, confirming the theory.

Deep Learning · Large Language Models

Gengsheng Li, Jinghan He, Shijie Wang, Dan Zhang, Ruiqi Liu, Renrui Zhang, Zijun Yao, Junfeng Fang, Haiyun Guo, Jinqiao Wang

Self-play bootstraps LLM reasoning through an iterative Challenger–Solver loop: the Challenger is trained to generate questions that target the Solver's capabilities, and the Solver is optimized on the generated data to expand its reasoning skills. However, existing frameworks like R-Zero often exhibit non-sustained improvement, where early gains degrade as self-play continues. We identify a key failure mode, Diversity Illusion, where the Solver's training signals appear diverse yet collapse into recurring underlying patterns. It manifests as (1) Local Diversity Illusion, where diversity is enforced only within-batch, inducing cross-iteration mode cycling; and (2) Surface Diversity Illusion, where questions vary superficially but require near-identical reasoning skills. To mitigate them, we propose R-Diverse with two aligned innovations: Memory-Augmented Penalty (MAP), which uses a persistent memory bank to discourage recycling across iterations, and Skill-Aware Measurement (SAM), which evaluates diversity by the reasoning skills exercised rather than surface variation of questions. Across 10 math and general reasoning benchmarks, R-Diverse sustains gains over more iterations and consistently outperforms prior self-play methods.

General Machine Learning · Causality

Federico Baldo, Charles Assaad

Most causal discovery methods recover a completed partially directed acyclic graph (CPDAG) representing a Markov equivalence class from observational data. Recent work has extended these methods to federated settings to address data decentralization and privacy constraints, but often under idealized assumptions that all clients share the same causal model. Such assumptions are unrealistic in practice, as client-specific policies, for instance, across hospitals, naturally induce heterogeneous and unknown interventions. In this work, we address federated causal discovery under unknown client-level interventions. We propose I-PERI, a novel federated algorithm that first recovers the CPDAG common to all clients and then orients additional edges by exploiting structural differences induced by interventions across clients. This yields a tighter equivalence class, which we call the $\mathbf{\phi}$-Markov Equivalence Class, represented by an augmented version of the CPDAG, namely, a $\mathbf{\phi}$-CPDAG. We provide theoretical guarantees on the convergence of I-PERI, as well as on its privacy-preserving properties, and present empirical evaluations demonstrating the effectiveness of the proposed algorithm.

Applications · Computer Vision

Jian Lang, Hong, Ting Zhong, Fan Zhou

Deploying multimodal systems in real-world environments often entails handling modality-missing scenarios, where one or more modalities are unavailable. While recent studies address this challenge for the general Multimodal Transformer (MT) architecture via prompt tuning, we identify a fundamental limitation in these methods: the Implicit Modality-Reduction bottleneck. By conditioning prompts solely on the observed modalities, they inadvertently restrict the reasoning scope of MTs to the modality-reduced subspace, cutting off access to the latent information sources of the missing modalities. To overcome this limitation, we propose AOEPT, which pioneers a novel modal-contextualized prompting fashion. Specifically, we introduce lightweight Modal-Contextualized Prompts (MCPs) that distill global modality-wise priors from training data, serving as latent repositories of the information sources for missing modalities. Conditioned on the remaining modalities, these MCPs are instantiated into instance-aware prompts that selectively augment missing-modality information for each sample, thereby restoring the reasoning scope of MTs beyond the observed-modality-only subspace. Experiments across various benchmarks and MT architectures confirm the strong performance of AOEPT, with minimal computational overhead.

Theory · Domain Adaptation and Transfer Learning

Zeyu Ma, Jiaqi Huang, Yitong Qin, Ziqiang Zheng, Jiwei Wei, Jie Zou, Yang Yang, Heng Tao Shen

Domain Adaptive Object Detection (DAOD) addresses the challenge of transferring object detectors from labeled source domains to unlabeled target domains. Existing domain adaptation methods primarily rely on feature distribution alignment, which enhances domain-invariant features (statistical invariance) but also inadvertently increases inherent domain-common spurious factors (e.g., common environmental contexts), which act as shortcut features rather than the true causal factors for object classification. We propose Dynamic Causal Refinement (DCR), a novel framework that establishes a closed-loop feedback mechanism between data augmentation and model optimization to progressively refine causal features. Specifically, we design Semantic Prediction Consistency (SPC) to filter domain-specific spurious factors and establish a robust statistical invariance, and Discrepancy-Guided Causal Refinement (DGCR) to actively suppress the dependence on domain-common spurious factors via spectral perturbation for causal refinement. This process encourages the detector to suppress its reliance on shortcut features and instead prioritize semantically meaningful causal representations. Extensive experiments on standard benchmarks demonstrate that our method outperforms state-of-the-art counterparts significantly.

Deep Learning · Generative Models and Autoencoders

Sai Hao, Hao Zeng, Hongxin Wei, Bingyi Jing

Efficiently routing queries to the optimal large language model (LLM) is crucial for optimizing the cost-performance trade-off in multi-model systems. However, most existing routers rely on single-model selection, making them susceptible to misrouting. In this work, we formulate LLM routing as the $\alpha$-VOR problem to minimize expected set size while controlling the misrouting risk, and propose a novel method -- RACER, extending base routers to output model sets that can be subsequently aggregated for improved output. In particular, RACER constructs nested model sets via augmented scoring and utilizes finite-sample concentration bounds to calibrate a threshold that allows for both variable set sizes and abstention. We theoretically prove that RACER achieves rigorous distribution-free risk control on unseen test data in a post-hoc and model-agnostic manner. Extensive experiments verify our theoretical guarantees and demonstrate that RACER consistently enhances downstream accuracy across a wide range of benchmarks.

Deep Learning · Large Language Models

Rong Wu, Xiaoman Wang, Jianbiao Mei, Pinlong Cai, Daocheng Fu, Cheng Yang, Licheng Wen, Xuemeng Yang, Yufan Shen, Yuxin Wang 等

LLM agents have achieved strong performance in tool-augmented reasoning, but most remain largely stateless: after each episode, the agent discards interaction traces and does not accumulate reusable strategies. Prior work either stores raw trajectories for case-based reuse or relies on external teacher models to write reflections, which limits generalization or leaves the agent’s policy unchanged. We introduce EvolveR, an experience-driven framework that allows an agent to improve using its own interaction history. EvolveR maintains an experience base of distilled strategic principles derived from past trajectories. In an offline phase, the agent self-distills successful and failed trajectories into concise principles, applies semantic deduplication, and assigns each principle an empirical utility score for maintenance and pruning. In an online phase, the agent retrieves top-ranked principles to guide reasoning and tool usage, generating new trajectories. We then perform policy evolution with reinforcement learning on these experience-conditioned trajectories, reinforcing behaviors that effectively retrieve and apply useful principles. We demonstrate the effectiveness of EvolveR on complex multi-hop question-answering benchmarks, where it achieves superior performance over strong agentic baselines. Our work presents a comprehensive blueprint for agents that learn not only from external data but also from the consequences of their own actions, paving the way for more autonomous and continuously improving systems.

Applications · Chemistry, Physics, and Earth Sciences

Chenghao Jia, Mengdi Liu, Hong Chang, Shiguang Shan, Xilin Chen

Elucidating molecular structures from spectra is a foundational problem in chemical and materials characterization, yet remains challenging due to spectral ambiguity and the vast molecular space. Although recent diffusion-based generators show strong promise for spectra-conditioned elucidation, existing methods struggle to learn robust spectra-structure relationships from limited paired data when relying solely on global spectral representation. Moreover, the repeated full sampling inference strategy incurs substantial computation overhead. To address these limitations, we propose MAST, a Motif-Augmented diffusion framework with Search Tree, for joint 2D-3D spectroscopic molecular structure elucidation. MAST introduces explicit, interpretable motif priors as intermediate evidences throughout denoising, reducing conditional ambiguity and facilitating spectra-conditioned optimization. We further cast diffusion sampling as reward-guided tree search to prioritize high-reward denoising trajectories, yielding a compact set of spectra-consistent candidates under limited budgets. On the QM9S multi-spectra benchmark, MAST achieves 94.89% exact recovery and improves 3D fidelity, while preserving high chemical validity and stability.

General Machine Learning · Causality

Ai Bo, Junzhe Zhang, M. Cenk Gursoy

Meta-Reinforcement Learning (Meta-RL) focuses on training policies using data collected from a variety of diverse environments. This approach enables the policy to adapt to new settings with only a few training steps. While many Meta-RL methods have demonstrated success, they often rely on the assumption that unobserved confounders can be excluded \emph{a priori}. This paper investigates robust Meta-RL in sequential decision-making, given confounded observational data collected across multiple heterogeneous environments. We introduce a novel augmentation procedure for standard Meta-RL algorithms (e.g., MAML), which employs partial identification methods to generate posterior counterfactual trajectories from candidate environments that align with the confounded observations. These counterfactual trajectories are then used to find a policy initialization that produces strong generalization performance in the target domain. Theoretical analysis reveals that our causal Meta-RL approach is guaranteed to yield a solution that minimizes generalization loss in future inference tasks.

Haixu Wu, Minghao Guo, Zongyi Li, Zhiyang Dou, Mingsheng Long, Kaiming He, Wojciech Matusik

Neural simulators promise efficient surrogates for physics simulation, but scaling them is bottlenecked by the prohibitive cost of generating high-fidelity training data. Pre-training on abundant off-the-shelf geometries offers a natural alternative, yet faces a fundamental gap: supervision on static geometry alone ignores dynamics and can lead to negative transfer on physics tasks. We present GeoPT, a unified pre-trained model for general physics simulation based on lifted geometric pre-training. The core idea is to augment geometry with synthetic dynamics, enabling dynamics-aware self-supervision without physics labels. Pre-trained on over one million samples, GeoPT consistently improves industrial-fidelity benchmarks spanning fluid mechanics for cars, aircraft, and ships, and solid mechanics in crash simulation, reducing labeled data requirements by 20-60% and accelerating convergence by 2$\times$. These results show that lifting with synthetic dynamics bridges the geometry-physics gap, unlocking a scalable path for neural simulation.

Applications · Computer Vision

Arjun Rao, Ruth Crasto, Tessa Ooms, David Rolnick, Konstantin Klemmer, Marc Rußwurm

Geographic data is fundamentally local. Disease outbreaks cluster in population centers, ecological patterns emerge along coastlines, and economic activity concentrates within country borders. Machine learning models that encode geographic location, however, distribute representational capacity uniformly across the globe, struggling at the fine-grained resolutions localized applications require. We propose a geographic location encoder built from spherical Slepian functions that concentrates representational capacity inside a region-of-interest and scales to high resolutions without extensive computational demands. For settings requiring global context, we present a hybrid Slepian-Spherical Harmonic encoder that efficiently bridges the tradeoff between local-global performance, while retaining desirable properties such as pole-safety and spherical-surface-distance preservation. Across five tasks spanning classification, regression, and image-augmented prediction, Slepian encodings outperform baselines and retain performance advantages across a wide variety of neural network architectures.

Applications · Health / Medicine

Jiwoong Sohn, Tomasz Sternal, Kenneth Styppa, Torsten Hoefler, Michael Moor

Reasoning in knowledge-intensive domains remains challenging because intermediate steps are often not locally verifiable: unlike math or code, evaluating step correctness may require synthesizing clues across large external knowledge sources. As a result, subtle errors can propagate through reasoning traces, potentially never to be detected. Prior work has proposed process reward models (PRMs), including retrieval-augmented variants. However, due to retrieval they operate post hoc by scoring completed trajectories which prevents their integration into dynamic inference procedures. Here, we introduce Process Reward Agents~(PRA), a test-time method for providing domain-grounded, online, step-wise rewards to a frozen reasoner. In contrast to prior retrieval-augmented PRMs, PRA enables search-based decoding to rank and prune candidate trajectories at every generation step. Experiments on multiple medical reasoning benchmarks demonstrate that PRA consistently outperforms strong baselines, achieving 80.9\% accuracy on MedQA with Qwen3-4B, a new state of the art at the 4B scale. Crucially, PRA generalizes to unseen frozen policy models ranging from 0.5B to 8B parameters, improving their accuracy by up to +25.7\% without any policy model updates. Ultimately, PRA suggests a paradigm in which frozen reasoners are decoupled from domain-specific tool-augmented reward modules, which enables the deployment of new backbones in complex domains without retraining. To support reproducibility, we release all code and data in an anonymous repository.

Deep Learning · Large Language Models

Dylan Zhang, Yufeng Xu, Haojin Wang, Qingzhi Chen, Hao Peng

Post-training of reasoning LLMs is a holistic process that typically consists of an offline SFT stage followed by an online reinforcement learning (RL) stage. However, SFT is often optimized in isolation to maximize SFT performance alone. We show that, after identical RL training, models initialized from stronger SFT checkpoints can significantly underperform those initialized from weaker ones. We propose PEAR ($\textbf{P}$olicy $\textbf{E}$valuation–inspired $\textbf{A}$lgorithm for Offline Learning Loss $\textbf{R}$eweighting), an SFT-stage method that corrects this mismatch and better prepares the model for RL. PEAR uses importance sampling to reweight the SFT loss, with three variants operating at the token, block, and sequence levels. It can be used to augment standard SFT objectives and incurs little additional training overhead once probabilities for the offline data are collected. We conduct controlled experiments on verifiable reasoning games and mathematical reasoning tasks on Qwen2.5/3 and DeepSeek-distilled models. PEAR consistently improves post-RL performance over canonical SFT, with pass@8 gains up to a 14.6% on AIME-2025. Our results suggest that PEAR is an effective step toward more holistic LLM post-training by designing and evaluating SFT with downstream RL in mind rather than in isolation.

Applications · Robotics

Shuxin Cao, Liquan Wang, Walker Byrnes, Yiye Chen, Yilun Du, Animesh Garg

In this paper, we identify a semantic decomposition in robot action sequences, separating task-level motion intent from execution-level refinements. By analyzing actions in the spectral domain using the discrete cosine transform (DCT), we observe that low-frequency components capture global motion trajectories, while high-frequency components encode precise timing, alignment, and contact behaviors. Motivated by this structure, we propose Causal Spectral Policy (CSP), which models action generation as a causal coarse-to-fine process: coarse motion is predicted from observation and language, and fine corrections are generated conditionally on the realized trajectory. Across simulation and real-world evaluations, CSP consistently outperforms strong baselines on precision-sensitive manipulation tasks. Additionally, we propose human-inspired teleoperation noise injection as a data augmentation method under which our approach demonstrates strong robustness to noisy demonstrations.

Applications · Health / Medicine

Jialin Li, Zhuo Zhang, Cao Yue, Shuai Xiao, Guipeng Lan, Jiabao Wen, Jiachen Yang

The scarcity of high-quality imaging data for coronary angiography (CAG) stenosis limits the clinical translation of automated stenosis detection. Synthetic stenosis data provides a practical avenue to augment training sets, improving data quality, diversity, and distributional coverage, and enhancing detection precision and generalization. However, diffusion-based editing commonly relies on soft guidance in a noise-initialized reverse process, offering limited pixel-level precision and structure preservation. We propose the **OT-Bridge Editor**, which reframes localized editing as a constrained entropic optimal transport (OT) problem and leverages geometric information to steer the generation path, enabling stronger geometric control. Extensive experiments show that our synthesized angiograms consistently improve downstream stenosis detection, yielding substantial relative gains of 27.8% on the public ARCADE benchmark and 23.0% on our multi-center dataset, supported by consistent qualitative results.

Deep Learning · Robustness

Jiaxiang Liu, Jiawei Du, Xiao Liu, Shangyang Li, Songchen Ma, Changshuo Wang, Prayag Tiwari, Mingkun Xu

Pre-trained vision-language models (VLMs) such as CLIP have demonstrated strong zero-shot capabilities across diverse domains, yet remain highly vulnerable to adversarial perturbations that disrupt image-text alignment and compromise reliability. Existing defenses typically rely on adversarial fine-tuning with labeled data, limiting their applicability in zero-shot settings. In this work, we identify two key weaknesses of current CLIP adversarial attacks—lack of semantic guidance and vulnerability to view variations—collectively termed semantic and viewpoint fragility. To address these challenges, we propose Self-Calibrated Consistency (SCC), an effective test-time defense. SCC consists of two complementary modules: Semantic consistency, which leverages soft pseudo-labels from counterattack warm-up and multi-view predictions to regularize cross-modal alignment and separate the target embedding from confusable negatives; and Spatial consistency, aligning perturbed visual predictions via augmented views to stabilize inference under adversarial perturbations. Together, these modules form a plug-and-play inference strategy. Extensive experiments on 22 benchmarks under diverse attack settings show that SCC consistently improves the zero-shot robustness of CLIP while maintaining accuracy, and can be seamlessly integrated with other VLMs for further gains. These findings highlight the great potential of establishing an adversarially robust paradigm from CLIP, with implications extending to broader VLMs such as BioMedCLIP.

Reinforcement Learning · Online

Haruka Kiyohara, Mihaela Curmei, Ariel Evnine, Shankar Kalyanaraman, Israel Nir, Ana-Roxana Pop, Nitzan Razin, Sarah Dean, Thorsten Joachims, Udi Weinsberg

Large-scale search, recommendation, and retrieval-augmented generation (RAG) systems typically employ a two-stage architecture: an early-stage ranker (ESR) generates a candidate set, which is subsequently re-ranked by a late-stage ranker (LSR). While there are many reinforcement learning (RL) methods for training the LSR, end-to-end training of the ESR has proven challenging. In particular, naive application of "vanilla" policy gradient (V-PG) is not scalable for candidate-set sizes relevant for practical use due to exploding variance. This issue arises because V-PG propagates the gradient to the joint probability of the candidate sets, ignoring the contribution of each specific item in the candidate set to the reward. To mitigate this issue, we propose a novel *"credit-assigned" PG (CA-PG)*, which computes gradients with respect to the probability that the target item is chosen in any candidate set, i.e. marginalizing over all candidate sets that contain it. Our theoretical analysis reveals that CA-PG significantly reduces the variance of V-PG by marginalizing over the specific composition of the candidate set, while preserving the ability to learn the correct ranking of actions under a reasonably aligned LSR policy. Experiments on both synthetic and real-world data demonstrate that CA-PG improves the convergence speed and training stability for ESRs utilizing the canonical Plackett-Luce model, especially when the candidate-set size is large.