ICLR 2026 Papers

Univariate time series (UTS), where each timestamp records a single variable, serve as crucial indicators in web systems and cloud servers. Anomaly detection in UTS plays an essential role in both data mining and system reliability management. However, existing reconstruction-based and prediction-based methods struggle to capture certain subtle anomalies, particularly small point anomalies and slowly rising anomalies. To address these challenges, we propose a novel prediction-based framework named Contextual and Seasonal LSTMs (CS-LSTMs). CS-LSTMs are built upon a noise decomposition strategy and jointly leverage contextual dependencies and seasonal patterns, thereby strengthening the detection of subtle anomalies. By integrating both time-domain and frequency-domain representations, CS-LSTMs achieve more accurate modeling of periodic trends and anomaly localization. Extensive evaluations on public benchmark datasets demonstrate that CS-LSTMs consistently outperform state-of-the-art methods, highlighting their effectiveness and practical value in robust time series anomaly detection.

3D part amodal segmentation--decomposing a 3D shape into complete, semantically meaningful parts, even when occluded--is a challenging but crucial task for 3D content creation and understanding. Existing 3D part segmentation methods only identify visible surface patches, limiting their utility. Inspired by 2D amodal segmentation, we introduce this novel task to the 3D domain and propose a practical, two-stage approach, addressing the key challenges of inferring occluded 3D geometry, maintaining global shape consistency, and handling diverse shapes with limited training data. First, we leverage existing 3D part segmentation to obtain initial, incomplete part segments. Second, we introduce HoloPart, a novel diffusion-based model, to complete these segments into full 3D parts. HoloPart utilizes a specialized architecture with local attention to capture fine-grained part geometry and global shape context attention to ensure overall shape consistency. We introduce new benchmarks based on the ABO and PartObjaverse-Tiny datasets and demonstrate that HoloPart significantly outperforms state-of-the-art shape completion methods. By incorporating HoloPart with existing segmentation techniques, we achieve promising results on 3D part amodal segmentation, opening new avenues for applications in geometry editing, animation, and material assignment.

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains underexplored. Existing safety benchmarks typically focus either on instructions requiring minimal knowledge comprehension (e.g., ``tell me how to build a bomb") or utilize prompts that are relatively low-risk (e.g., multiple-choice or classification tasks about hazardous content). Consequently, they fail to adequately assess model safety when handling knowledge-intensive, hazardous scenarios. To address this critical gap, we introduce SOSBench, a regulation-grounded, hazard-focused benchmark encompassing six high-risk scientific domains: chemistry, biology, medicine, pharmacology, physics, and psychology. The benchmark comprises 3,000 prompts derived from real-world regulations and laws, systematically expanded via an LLM-assisted evolutionary pipeline that introduces diverse, realistic misuse scenarios (e.g., detailed explosive synthesis instructions involving advanced chemical formulas). We evaluate frontier models within a unified evaluation framework using our SOSBench. Despite their alignment claims, advanced models consistently disclose policy-violating content across all domains, demonstrating alarmingly high rates of harmful responses (e.g., 84.9% for Deepseek-R1 and 50.3% for GPT-4.1). These results highlight significant safety alignment deficiencies and underscore urgent concerns regarding the responsible deployment of powerful LLMs.

We propose RAdaGD, a novel family of adaptive gradient descent methods on general Riemannian manifolds. RAdaGD adapts the step size parameter without line search, and includes instances that achieve a non-ergodic convergence guarantee, $f(x_k) - f(x_\star) \le \mathcal{O}(1/k)$, under local geodesic smoothness and generalized geodesic convexity. A core application of RAdaGD is Gaussian Variational Inference, where our method provides the first convergence guarantee in the absence of $L$-smoothness of the target log-density, under additional technical assumptions. We also investigate the empirical performance of RAdaGD in numerical simulations and demonstrate its competitiveness in comparison to existing algorithms.

Learning dynamical systems that respect physical symmetries and constraints remains a fundamental challenge in data-driven modeling. Integrating physical laws with graph neural networks facilitates principled modeling of complex N-body dynamics and yields accurate and permutation-invariant models. However, training graph neural networks with iterative, gradient-descent-based optimization algorithms (e.g., Adam, RMSProp, LBFGS) often leads to slow training, especially for large, complex systems. In comparison to 15 different optimizers, we demonstrate that Hamiltonian Graph Networks (HGN) can be trained 150-600× faster - but with comparable accuracy - by replacing iterative optimization with random feature-based parameter construction. We show robust performance in diverse simulations, including N-body mass-spring and molecular dynamics systems in up to $3$ dimensions and 10,000 particles with different geometries, while retaining essential physical invariances with respect to permutation, rotation, and translation. Our proposed approach is benchmarked using a NeurIPS 2022 Datasets and Benchmarks Track publication to further demonstrate its versatility. We reveal that even when trained on minimal 8-node systems, the model can generalize in a zero-shot manner to systems as large as 4096 nodes without retraining. Our work challenges the dominance of iterative gradient-descent-based optimization algorithms for training neural network models for physical systems.

Cooperative multi-agent reinforcement learning (MARL) commonly adopts centralized training with decentralized execution, where value-factorization methods enforce the individual-global-maximum (IGM) principle so that decentralized greedy actions recover the team-optimal joint action. However, the reliability of this recipe in real-world settings remains uncertain due to environmental uncertainties arising from the sim-to-real gap, model mismatch, system noise. We address this gap by introducing Distributionally robust IGM (DrIGM), a principle that requires each agent's robust greedy action to align with the robust team-optimal joint action. We show that DrIGM holds for a novel definition of robust individual action values, which is compatible with decentralized greedy execution and yields a provable robustness guarantee for the whole system. Building on this foundation, we derive DrIGM-compliant robust variants of existing value-factorization architectures (e.g., VDN/QMIX/QTRAN) that (i) train on robust Q-targets, (ii) preserve scalability, and (iii) integrate seamlessly with existing codebases without bespoke per-agent reward shaping. Empirically, on high-fidelity SustainGym simulators and a StarCraft game environment, our methods consistently improve out-of-distribution performances.

Data-driven models are increasingly adopted in critical scientific fields like weather forecasting and fluid dynamics. These methods can fail on out-of-distribution (OOD) data, but detecting such failures in regression tasks is an open challenge. We propose a new OOD detection method based on estimating joint likelihoods using a score-based diffusion model. This approach considers not just the input but also the regression model's prediction, providing a task-aware reliability score. Across numerous scientific datasets, including PDE datasets, satellite imagery and brain tumor segmentation, we show that this likelihood strongly correlates with prediction error. Our work provides a foundational step towards building a verifiable 'certificate of trust', thereby offering a practical tool for assessing the trustworthiness of AI-based scientific predictions.

Proprioceptive information is critical for precise servo control by providing real-time robotic states. Its collaboration with vision is highly expected to enhance performances of the manipulation policy in complex tasks. However, recent studies have reported inconsistent observations on the generalization of vision-proprioception policies. In this work, we investigate this by conducting temporally controlled experiments. We found that during task sub-phases that robot's motion transitions, which require target localization, the vision modality of the vision-proprioception policy plays a limited role. Further analysis reveals that the policy naturally gravitates toward concise proprioceptive signals that offer faster loss reduction when training, thereby dominating the optimization and suppressing the learning of the visual modality during motion-transition phases. To alleviate this, we propose the Gradient Adjustment with Phase-guidance (GAP) algorithm that adaptively modulates the optimization of proprioception, enabling dynamic collaboration within the vision-proprioception policy. Specifically, we leverage proprioception to capture robotic states and estimate the probability of each timestep in the trajectory belonging to motion-transition phases. During policy learning, we apply fine-grained adjustment that reduces the magnitude of proprioception's gradient based on estimated probabilities, leading to robust and generalizable vision-proprioception policies. The comprehensive experiments demonstrate GAP is applicable in both simulated and real-world environments, across one-arm and dual-arm setups, and compatible with both conventional and Vision-Language-Action models. We believe this work can offer valuable insights into the development of vision-proprioception policies in robotic manipulation. Videos and code are available at https://gewu-lab.github.io/GAP/.

We introduce Kolmogorov–Arnold Neural Operator (KANO), a dual‑domain neural operator jointly parameterized by both spectral and spatial bases with intrinsic symbolic interpretability. We theoretically demonstrate that KANO overcomes the pure-spectral bottleneck of Fourier Neural Operator (FNO): KANO remains expressive over a generic position-dependent dynamics for any physical input, whereas FNO stays practical only to spectrally sparse operators and strictly imposes fast-decaying input Fourier tail. We verify our claims empirically on position-dependent differential operators, for which KANO robustly generalizes but FNO fails to. In the quantum Hamiltonian learning benchmark, KANO reconstructs ground‑truth Hamiltonians in closed-form symbolic representations accurate to the fourth decimal place in coefficients and attains $\approx6\times10^{-6}$ state infidelity from projective measurement data, substantially outperforming that of the FNO trained with ideal full wave function data, $\approx1.5\times10^{-2}$, by orders of magnitude.

In deep learning, a central issue is to understand how neural networks efficiently learn high-dimensional features. To this end, we explore the gradient descent learning of a general Gaussian Multi-index model $f(\boldsymbol{x})=g(\boldsymbol{U}\boldsymbol{x})$ with hidden subspace $\boldsymbol{U}\in \mathbb{R}^{r\times d}$, which is the canonical setup to study representation learning. We prove that under generic non-degenerate assumptions on the link function, a standard two-layer neural network trained via layer-wise gradient descent can agnostically learn the target with $o_d(1)$ test error using $\widetilde{\mathcal{O}}(d)$ samples and $\widetilde{\mathcal{O}}(d^2)$ time. The sample and time complexity both align with the information-theoretic limit up to leading order and are therefore optimal. During the first stage of gradient descent learning, the proof proceeds via showing that the inner weights can perform a power-iteration process. This process implicitly mimics a spectral start for the whole span of the hidden subspace and eventually eliminates finite-sample noise and recovers this span. It surprisingly indicates that optimal results can only be achieved if the first layer is trained for more than $\mathcal{O}(1)$ steps. This work demonstrates the ability of neural networks to effectively learn hierarchical functions with respect to both sample and time efficiency.

Multi-task learning often suffers from gradient conflicts, leading to unfair optimization and degraded overall performance. To address this, we present SVFair, a Shapley value-based framework for fair gradient aggregation. We propose two scalable geometric conflict metrics: VolDet, a gram determinant volume metric, and VolDetPro, its sign-aware extension distinguishing antagonistic gradients. By integrating these metrics into Shapley value computation, SVFair quantifies each task’s deviation from the overall gradient and rebalances updates toward fairness. In parallel, our Shapley value computation admits controllable complexity. Extensive experiments show that SVFair achieves state-of-the-art results across diverse supervised and reinforcement learning benchmarks, and further improves existing methods when integrated as a fairness-enhancing module.

Reasoning models often exhibit overthinking, characterized by redundant reasoning steps. We identify \emph{internal bias} elicited by the input question as a key trigger of such behavior. Upon encountering a problem, the model immediately forms a preliminary guess about the answer, which we term an internal bias since it may not be explicitly generated, and it arises without systematic reasoning. When this guess conflicts with its subsequent reasoning, the model tends to engage in excessive reflection, resulting in wasted computation. We validate the association between internal bias and overthinking across multiple models and diverse reasoning tasks. To demonstrate the causal relationship more rigorously, we conduct two counterfactual interventions, showing that removing the input question after the model reduces the redundant reasoning across various complex reasoning tasks, and manually injecting bias affects overthinking accordingly. Further interpretability experiments suggest that excessive attention to the input question serves as a key mechanism through which internal bias influences subsequent reasoning trajectories. Finally, we evaluated several methods aimed at mitigating overthinking, yet the influence of internal bias persisted under all conditions.

Selective prediction aims to endow predictors with a reject option, to avoid low confidence predictions. However, existing literature has primarily focused on closed-set tasks, such as visual question answering with predefined options or fixed-category classification. This paper considers selective prediction for visual language foundation models, addressing a taxonomy of tasks ranging from closed to open set and from finite to unbounded vocabularies, as in image captioning. We seek training-free approaches of low-complexity, applicable to any foundation model and consider methods based on external vision-language model (VLM) embeddings, like CLIP. This is denoted as $\textit{Plug-and-Play Selective Prediction} (\textbf{\texttt{PaPSP}})$. We identify two key challenges: (1) $\textit{instability of the visual-language representations}$, leading to high variance in image-text embeddings, and (2) $\textit{poor calibration of similarity scores}$. To address these issues, we propose a $\textit{memory augmented}$ $\textbf{\texttt{PaPSP}}$ ($\textbf{\texttt{MA-PaPSP}}$) model, which augments $\textbf{\texttt{PaPSP}}$ with a retrieval dataset of image-text pairs. This is leveraged to reduce embedding variance by averaging retrieved nearest-neighbor pairs and is complemented by the use of contrastive normalization to improve score calibration. Through extensive experiments on multiple datasets, we show that $\textbf{\texttt{MA-PaPSP}}$ outperforms $\textbf{\texttt{PaPSP}}$ and other selective prediction baselines for selective captioning, image-text matching, and fine-grained classification. Source code will be made public.

While reinforcement learning (RL) demonstrated remarkable success in enhancing the reasoning capabilities of language models, the training dynamics of RL in LLMs remain unclear. In this work, we provide an explanation of the RL training process through empirical analysis and rigorous theoretical modeling. First, through systematic reasoning-pattern-level and token-level analysis across the RL training process, we show that while different reasoning patterns exhibit relatively stable success rates during training, RL primarily optimizes a sparse subset of critical tokens, thereby reshaping reasoning pattern distributions to affect model performance. Building on these empirical insights, we develop a theoretical framework to understand the training dynamics of RL with two typical rewards: verifiable reward (RLVR) and model's internal feedback (RLIF). For RLVR, we analyze the training dynamics under two special cases: one where models readily converge to optimal reasoning strategies, and another where optimization becomes challenging, revealing that the base model's reasoning quality is crucial for determining convergence behavior. For RLIF, we examine how internal rewards initially improve model performance but can potentially lead to degradation with continued training. Extensive experiments validate our findings, advancing both theoretical understanding and practical applications of RL in language model enhancement.

Large Vision-Language Models (LVLMs) have adopted visual token pruning strategies to mitigate substantial computational overhead incurred by extensive visual token sequences. While prior works primarily focus on either attention-based or diversity-based pruning methods, in-depth analysis of these approaches' characteristics and limitations remains largely unexplored. In this work, we conduct thorough empirical analysis using effective rank (erank) as a measure of feature diversity and attention score entropy to investigate visual token processing mechanisms and analyze the strengths and weaknesses of each approach. Our analysis reveals two insights: (1) Our erank-based quantitative analysis shows that many diversity-oriented pruning methods preserve substantially less feature diversity than intended; moreover, analysis using the CHAIR dataset reveals that the diversity they do retain is closely tied to increased hallucination frequency compared to attention-based pruning. (2) We further observe that attention-based approaches are more effective on simple images where visual evidence is concentrated, while diversity-based methods better handle complex images with distributed features. Building on these empirical insights, we show that incorporating image-aware adjustments into existing hybrid pruning strategies consistently improves their performance. We also provide a minimal instantiation of our empirical findings through a simple adaptive pruning mechanism, which achieves strong and reliable performance across standard benchmarks as well as hallucination-specific evaluations. Our project page available at https://anonymous.4open.science/w/AdaVTP-186A/

Harnessing the power of LLMs requires a delicate dance between being helpful and harmless, leading to two critical challenges: vulnerability to adversarial attacks that elicit unsafe content, and a tendency for overrefusal on benign but sensitive prompts. Current approaches often navigate this dance with safeguard models that completely reject any content that contains unsafe portions. This approach cuts the music entirely—it may exacerbate overrefusals and fails to provide nuanced guidance for queries it refuses. To teach models a more coordinated choreography, we propose WaltzRL, a novel multi-agent reinforcement learning framework that formulates safety alignment as a collaborative, positive-sum game. WaltzRL jointly trains a conversation agent and a feedback agent, where the latter is incentivized to provide useful suggestions that improve the safety and helpfulness of the conversation agent's responses. At the core of WaltzRL is a Dynamic Improvement Reward (DIR) that evolves over time based on how well the conversation agent incorporates the feedback. At inference time, unsafe or overrefusing responses from the conversation agent are improved rather than discarded. The feedback agent is deployed together with the conversation agent and only engages adaptively when needed, preserving helpfulness and low latency on safe queries. Our experiments, conducted across five diverse datasets, demonstrate that WaltzRL significantly reduces both unsafe responses (e.g., from 39.0% to 4.6% on WildJailbreak) and overrefusals (from 45.3% to 9.9% on OR-Bench) compared to various baselines. By enabling the conversation and feedback agents to co-evolve and adaptively apply feedback, WaltzRL enhances LLM safety without degrading general capabilities, thereby advancing the Pareto front between helpfulness and harmlessness.

Attribute correlations in the training data will compromise the ability of a deep generative model (DGM) to synthesize images with under-represented attribute combinations ($\textit{i.e.,}$ minority samples). Existing approaches mitigate this by data re-sampling to remove attribute correlations seen by the DGM, using a classifier to provide $\textit{pseudo-supervision}$ for the generation of counterfactual samples, or incorporating inductive bias to explicitly decompose the generation into independent causal mechanisms. We present ProReGen, a $\textit{progressive residual generation}$ approach inspired by the classical Robinson's transformation to partial out from an image attribute $\mathbf{x}_2$ its component $m(\mathbf{x}_1)$ that is predictable by other image attributes $\mathbf{x}_1$, and the residual $\gamma = \mathbf{x}_2 - m(\mathbf{x}_1)$ that is not. This simplifies the original problem of learning a DGM $g(\mathbf{x}_1, \mathbf{x}_2)$ conditioned on correlated inputs, to learning $\tilde{g}(\mathbf{x}_1, \gamma)$ conditioned on orthogonal inputs. It further allows us to progressively learn $\tilde{g}$ by first shifting the burden to abundant majority samples to learn the generator $\tilde{g}(\mathbf{x}_1, \gamma = 0)$, and then expanding it with additional layers $g\_{\text{res}}$ to resolve its difference to $\tilde{g}(\mathbf{x}_1, \gamma)$ using residual attribute $\gamma$ on limited minority samples. On three benchmark datasets with curated varying strengths of attribute correlations, we demonstrate that ProReGen---with input orthogonalizaton and progressive residual learning---improved the correctness and quality of generations compared to existing strategies.

Solving Traveling Salesman Problem (TSP) is NP-hard yet fundamental for wide real-world applications. Classical exact methods face challenges in scaling, and heuristic methods often require domain-specific parameter calibration. While learning-based approaches have shown promise, they suffer from poor generalization and limited scalability due to fixed training data. This work proposes ViTSP, a novel framework that leverages pre-trained vision language models (VLMs) to visually guide the solution process for large-scale TSPs. The VLMs function to identify promising small-scale subproblems from a visualized TSP instance, which are then efficiently optimized using an off-the-shelf solver to improve the global solution. ViTSP bypasses the dedicated model training at the user end while maintaining effectiveness across diverse instances. Experiments on real-world TSP instances ranging from 1k to 88k nodes demonstrate that ViTSP consistently achieves solutions with average optimality gaps below 0.2\%, outperforming existing learning-based methods. Under the same runtime budget, it surpasses the best-performing heuristic solver, LKH-3, by reducing its gaps by 12\% to 100\%, particularly on very-large-scale instances with more than 10k nodes. Our framework offers a new perspective in hybridizing pre-trained generative models and operations research solvers in solving combinatorial optimization problems, with practical implications for integration into more complex logistics systems. The code is available at https://anonymous.4open.science/r/ViTSP_codes-6683.

This work presents MAC-Flow, a simple yet expressive framework for multi-agent coordination. We argue that requirements of effective coordination are twofold: *(i)* a rich representation of the diverse joint behaviors present in offline data and *(ii)* the ability to act efficiently in real time. However, prior approaches often sacrifice one for the other, *i.e.*, denoising diffusion-based solutions capture complex coordination but are computationally slow, while Gaussian policy-based solutions are fast but brittle in handling multi-agent interaction. MAC-Flow addresses this trade-off by first learning a flow-based representation of joint behaviors, and then distilling it into decentralized one-step policies that preserve coordination while enabling fast execution. Across four different benchmarks, including $12$ environments and $34$ datasets, MAC-Flow alleviates the trade-off between performance and computational cost, specifically achieving about $\boldsymbol{\times14.5}$ faster inference compared to diffusion-based MARL methods, while maintaining good performance. At the same time, its inference speed is similar to that of prior Gaussian policy-based offline MARL methods.