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Applications · Computer Vision

Haolan Guo, Linwei Tao, Haoyang Luo, Minjing Dong, Chang Xu

Deep neural networks frequently exhibit overconfidence, undermining reliability in safety-critical applications. Existing adaptive methods rely on indirectly learned proxies of sample difficulty. We establish the logit margin as a direct and principled hardness indicator. We prove that margin tightly bounds the feasible temperature range for any target confidence. Empirically, margin strongly correlates with decision boundary proximity and reveals systematic calibration patterns across difficulty levels. We further identify a fundamental flaw in NLL-based optimization: minimizing NLL can paradoxically worsen calibration. To address this, we introduce Charbonnier-Smoothed SoftECE, a smooth objective that provably upper-bounds the smooth calibration error (smCE). Building on these insights, we propose SMART (Sample Margin-Aware Recalibration of Temperature), a lightweight method that learns a sample-wise margin-to-temperature mapping guided by our calibration-centric objective. Experiments demonstrate state-of-the-art calibration across CNNs and ViTs on standard, long-tailed, and distribution-shifted benchmarks, with a minimal inference-time data consumption. Code: https://anonymous.4open.science/r/SMART-8B11.

Deep Learning · Generative Models and Autoencoders

Haowen Zhong, Jiujun Cheng, Haowen Wang, Chao Wei, Lu Yang, Qichao Mao, Shangce Gao

Point cloud completion and generation are important across many 3D tasks, where both fidelity and sampling efficiency matter. Prevailing high-fidelity approaches rely on long sampling schedules, which incur substantial inference latency. Few-step alternatives typically use rectification or distillation, leading to multi-stage training pipelines and potential quality trade-offs. We present 3D MeanFlow (3DMF), a distillation-free model that performs one-step average-velocity transport for point cloud completion and generation. We optimize an instantaneous-average consistency objective and impose a shape-level constraint to stabilize training. Additionally, we introduce PointPlug, integrating completion into 3D object detectors and evaluating its impact. PointPlug uses adaptive selection that balances benefit and latency. Across standard benchmarks, 3DMF achieves one-step sampling with an order-of-magnitude speedup while maintaining competitive fidelity. On nuScenes and KITTI, inserting PointPlug improves all evaluated detectors under comparable settings.

Applications · Language, Speech and Dialog

Xuhui Zhou, Valerie Chen, Zhiruo Wang, Graham Neubig, Maarten Sap, Xingyao Wang

Recent advances in coding agents have made them capable of planning, editing, running, and testing complex code bases. Despite their growing ability in coding tasks, these systems still struggle to infer and track user intent, especially when instructions are underspecified or context-dependent. To bridge this gap, we introduce ToM-SWE, a dual-agent architecture that pairs a primary software-engineering (SWE) agent with a lightweight theory-of-mind (ToM) partner agent dedicated to modeling the user's mental state. The ToM agent infers user goals, constraints, and preferences from instructions and interaction history, maintains a persistent memory of the user, and provides user-related suggestions to the SWE agent, while preserving privacy and minimizing context window load. In two software engineering benchmarks (ambiguous SWE-bench and stateful SWE-bench), ToM-SWE improves task success rates and user satisfaction. Notably, on the stateful SWE benchmark, a newly introduced evaluation that provides agents with a user simulator along with previous interaction histories, ToM-SWE achieves a substantially higher task success rate of 59.7% compared to 18.1% for OpenHands, a state-of-the-art SWE agent. Furthermore, in a three-week study with professional developers using ToM-SWE in their daily work, participants found it better aligned with their intent and useful 86% of the time, underscoring the value of stateful user modeling for practical coding agents.

Optimization · Discrete and Combinatorial Optimization

Josia John, Simon Meierhans, Maximilian Probst Gutenberg

In the graph label selection problem, one is given an $n$-vertex graph and a budget $k$, and seeks to select $k$ vertices whose labels enable accurate prediction of the labels on the remaining vertices. This problem formalizes distilling a small representative set from the whole graph. We present the first $\tilde{O}(\log^{1.5} n)$-approximation algorithm for graph label selection under the standard budget constraint. Prior work either relies on resource augmentation, allowing substantially more than $k$ labeled vertices, or consists primarily of heuristics without provable guarantees. Finally, we demonstrate that practical heuristic variants of our algorithm scale to significantly larger graphs than previous methods, while essentially retaining their quality.

General Machine Learning · Transfer, Multitask and Meta-learning

Fady Rezk, Royson Lee, Henry Gouk, Timothy Hospedales, Minyoung Kim

In contemporary deep learning, a prevalent and effective workflow for solving low-data problems is adapting powerful pre-trained foundation models (FMs) to new tasks via parameter-efficient fine-tuning (PEFT). However, while empirically effective, the resulting solutions lack generalisation guarantees to certify their accuracy - which may be required for ethical or legal reasons prior to deployment in high-importance applications. In this paper we develop a novel transfer learning approach that is designed to facilitate non-vacuous learning theoretic generalisation guarantees for downstream tasks, even in the low-shot regime. Specifically, we first use upstream tasks to train a {\em distribution over PEFT parameters}. We then learn the downstream task by a {\em sample-and-evaluate} procedure -- sampling plausible PEFTs from the trained diffusion model and selecting the one with the highest likelihood on the downstream data. Crucially, this confines our model hypothesis to a {\em finite} set of PEFT samples. In contrast to the typical continuous hypothesis spaces of neural network weights, this facilitates tighter risk certificates. We instantiate our bound and show non-trivial generalization guarantees compared to existing learning approaches which lead to vacuous bounds in the low-shot regime.

General Machine Learning · Methodology

Yundaichuan Zhan, Minghe Gao, Zhongqi Yue, Wendong Bu, Wenqiao Zhang, Guoming Wang, Jisheng Dang, Juncheng Li, Siliang Tang, Yueting Zhuang

Recent works have explored integrating Vision-Language Models (VLMs) with classical planners that rely on symbolic representations of planning problem to generate long-horizon plans for complex embodied tasks. However, in open-ended environments, these symbolic representations obtained from perception are often incomplete, leading to suboptimal performance. To address this, we introduce SCOPE, a self-adaptive symbolic planning framework that supports refining action plans and evolving the symbolic world—the symbolic representations of open-ended environments. SCOPE comprises two synergistic modules: a Symbolic Execution Simulator (SESim) that conducts symbolic validation and real execution of action plans, leveraging the feedback to refine the plans and evolve the symbolic world; and a Self-Adaptive Symbolic Memory (SASMem) that further distills feedback into evolving symbolic knowledge to enhance long-horizon planning and modeling of the symbolic world. Experiments in open-ended environments show that SCOPE significantly improves the completeness of the symbolic world, the success rate of plans under environment perturbations, and cross-task grounding and adaptability across diverse embodied scenarios.

Deep Learning · Other Representation Learning

Boliang Hao, Bailing Zhang, Fangyu Wu

Modern Hopfield Networks (MHNs) have achieved widespread success across various domains but are confined to Euclidean/Hilbert spaces, failing to preserve the hierarchical structure of data due to geometric constraints—arbitrary tree structures cannot be embedded with low distortion, while hyperbolic spaces can naturally accommodate hierarchical structures through exponential volume growth. To address this issue, we propose Hyperbolic Associative Memory Networks (HAMNs), the first framework to embed modern associative memory into hyperbolic space: we map query and memory vectors from Euclidean space to a constant negative curvature manifold via exponential maps, define a regularized energy function based on the Minkowski inner product, and adopt curvature-aware Riemannian optimization combined with exponential map updates to achieve stable on-manifold retrieval. We put forward a hierarchy-sensitivity hypothesis—HAMNs outperform Euclidean MHNs on data with deep hierarchies but exhibit comparable performance on data with weak or shallow hierarchies, which is validated by depth-controlled experiments and cross-level metrics. As a plug-and-play, model-agnostic module, HAMNs are suitable for the storage and retrieval of representations in task architectures requiring hierarchical understanding, instantiated with the Poincaré ball in experiments, and also applicable to any hyperbolic model with constant negative curvature.

General Machine Learning · Evaluation

Zhuoran Yu, Le Thien Phuc Nguyen, Jaden Park, Xinyi Gu, Zexue He, Soochahn Lee, Rogerio Feris, Yong Jae Lee

Multimodal Large Language Models (MLLMs) have achieved strong performance on structured visual understanding tasks such as chart and document question answering. However, existing benchmarks typically evaluate these domains in isolation, overlooking realistic settings where numerical evidence in charts must be interpreted through surrounding narrative context. We introduce DocHop, a benchmark for integrated chart--context reasoning in document-style images. In DocHop, the document narrative specifies multi-step compositional constraints, while charts provide the corresponding data values. Questions are grounded on a semantic reference label defined in the narrative, requiring models to resolve target entities from context before aggregating evidence across multiple charts. To enable systematic evaluation, we construct DocHop via a stochastic logic-first generation pipeline with controllable reasoning depth and visual density, covering 1,876 examples across six task categories. Experiments on a wide range of proprietary and open-sourced MLLMs show a substantial gap to human performance: annotators achieve over 90\% accuracy, while the best model reaches only 60.18\%. Reasoning-enhanced models consistently show improved results, but the performance degrades as reasoning complexity increases. Overall, DocHop provides testbed for challenging multi-hop document reasoning.

Social Aspects · Privacy

Chaoyi Xiang, Olga Ohrimenko, Benjamin Rubinstein, Lea Frermann

Large language models (LLMs) can memorize sensitive facts, motivating *unlearning* methods that remove targeted knowledge without costly retraining. However, unlearning research remains heavily English-centric. We study multilingual unlearning by extending the TOFU benchmark to five languages, and fine-tune, unlearn and query our models with different permutations of languages. We find that unlearning transfer -- the ability of an unlearned model to "forget" facts in languages other than the unlearning language -- is highly variable: e.g., it is strongest between languages sharing scripts and families, and we show that the *unlearning language* predicts which *query languages* are most likely to yield the strongest transfer. Layer-wise analysis reveals that unlearning leaves the shared cross-lingual latent space largely intact in early layers, instead operating primarily in later decoding layers. This suggests that unlearning does not truly erase knowledge, but rather induces superficial suppression. Exploiting this structure, a single inference-time steering direction reverses much of this suppression across languages, recovering 50% (Qwen) and 90% (Gemma) of the unlearned knowledge.

Optimization · Stochastic

Tianjin Huang, Zhangyang “Atlas” Wang, Haotian Hu, Zhenyu Zhang, Gaojie Jin, Xiang Li, Li Shen, Jiaxing Shang, Tianlong Chen, Ke Li 等

Training instability in modern deep learning systems is frequently triggered by rare but extreme gradient-norm spikes, which can induce oversized parameter updates, corrupt optimizer state, and lead to slow recovery or divergence. Widely used safeguards such as gradient clipping mitigate these failures but require threshold tuning and indiscriminately truncate large updates. We propose **GradientStabilizer**, a lightweight, drop-in gradient transform that *preserves the instantaneous gradient direction* while replacing the update magnitude with a statistically stabilized estimate derived from running gradient-norm statistics. We prove that the resulting stabilized magnitude is uniformly bounded on spike steps, independent of the spike size, and show how this boundedness controls optimizer state evolution in adaptive methods. Across LLM pre-training (FP16), quantization-aware pre-training (FP4), ImageNet classification, reinforcement learning, and time-series forecasting, **GradientStabilizer** consistently improves training stability, widens stable learning-rate regions, and reduces divergence relative to clipping-based baselines, even substantially reducing Adam’s sensitivity to weight-decay strength.

General Machine Learning · Representation Learning

Jiahao Zhu, Kang You, Dandan Ding, Zhan Ma

LiDAR point cloud compression is vital for autonomous systems to handle massive data from high-resolution sensors. While learned entropy modeling built upon octree structures yields high compression gains, it faces two critical bottlenecks: 1) prohibitive latency, particularly during decoding, caused by causal, multi-stage context modeling; and 2) a rigid performance-latency trade-off, preventing a single model from adapting to varying constraints. These limitations stem from the tight coupling between context aggregation backbone and probability prediction. To address this, we propose PACE, a new framework that reformulates ancestral context aggregation as a non-causal backbone and confines causality to a lightweight, stage-scalable predictor, eliminating repetitive backbone executions and reducing computational overhead. The predictor supports an arbitrary number of prediction stages, supporting seamless adaptation across diverse performance-latency trade-offs without reloading parameters. Experiments demonstrate that PACE sets a new state-of-the-art in compression efficiency, achieving notable BD-BR savings and reducing decoding latency by over 90\% in autoregressive mode, highly attractive for practical applications.

General Machine Learning · Transfer, Multitask and Meta-learning

Yuan Li, Heng Yang, Renzhi Chen, Ke Li

Foundation models (FMs) pretrained on large-scale sequence data have emerged as a promising paradigm for RNA biology, yet the mechanisms underlying their transferability remain unclear. In this work, we conduct a systematic investigation of transfer learning in RNA FMs across diverse structural and functional tasks. Our results demonstrate that frozen representations from pretrained RNA FMs are not universally transferable, and that the hierarchical feature reuse paradigm prevalent in computer vision does not generally extend to RNA FMs. Instead, pretraining primarily benefits downstream tasks by providing a favorable optimization initialization when pretraining and downstream objectives are well aligned, which accelerates convergence toward flatter minima associated with improved generalization. Overall, our findings characterize pretraining as an optimization prior whose effectiveness is governed by task alignment and model capacity, offering principled guidance for future RNA FMs.

Social Aspects · Accountability, Transparency, and Interpretability

Shasha Zhou, Mingyu Huang, Ke Li

Advances in machine learning and computational power have unlocked the predictive potential of the human genome, yet biologists increasingly demand that these models also elucidate the underlying biological mechanisms. While interpretable machine learning (IML) techniques have been increasingly applied to bridge this gap, there has been a pervasive reliance on anecdotal validation: the vast majority of research employs a single IML method and reports only isolated successful instances. Through a benchmarking study on transcription factor binding, we demonstrate the risks of current practices. We show that different IML methods can often (1) yield contradictory explanations for identical predictions, (2) fail to localize known regulatory motifs, and (3) do not faithfully reflect the model's internal decision process. In light of this, we argue for a validation framework analogous to clinical trials. Just as trials require rigorous design and the reporting of adverse events, genomic interpretability must move beyond cherry-picked plausibility toward systematic assessment of consistency, faithfulness, and biological validity. To facilitate this, we propose a tiered framework to guide the rigorous evaluation and reporting of genomic IML methods.

Applications · Computer Vision

Zhaoyang Li, Zhichao You, Tianrui Li

Although multi-modal learning has advanced point cloud completion, the theoretical mechanisms remain unclear. Recent works attribute success to the connection between modalities, yet we identify that standard hard projection severs this connection, inducing Cross-Modal Entropy Collapse where sparse support hinders visual prior propagation. To bridge this gap, we propose SplAttN, which maximizes Point-wise Mutual Information via Differentiable Gaussian Splatting. By reformulating projection as continuous density estimation, SplAttN facilitates gradient flow and optimizes connection learnability. Extensive experiments show that SplAttN achieves state-of-the-art performance on PCN and ShapeNet-55/34. Crucially, we utilize the real-world KITTI benchmark as a stress test for multi-modal reliance. Counter-factual evaluation reveals that while baselines degenerate into unimodal template retrievers insensitive to visual removal, SplAttN maintains a robust dependency on visual cues, validating that our method establishes an effective cross-modal connection. Code is available at https://anonymous.4open.science/r/Anonymous-766B/.

Deep Learning · Graph Neural Networks

Neelam Akula, Surbhi Kumar, Murat Kantarcioglu, Baris Coskunuzer

Many real-world graphs support multiple predictive tasks over the same underlying structure, creating an opportunity to reuse supervision across node classification (NC) and link prediction (LP). However, existing evaluations often rely on incompatible splits, observed-graph assumptions, and negative sampling rules, making conclusions about same-graph cross-task transfer unreliable. We formalize same-graph NC–LP transfer and propose a leakage-free protocol that fixes node and edge splits, uses a shared message-passing graph that excludes evaluated edges, and employs fixed negatives for LP. Across three backbones (GCN, GraphSAGE, GPS), we find transfer is strongly directional and predictable: NC$\to$LP is consistently beneficial on homophilic graphs, while LP$\to$NC is fragile and can even degrade accuracy under naive representation reuse. LP$\to$NC becomes reliably positive mainly in a structure-dominant regime where LP is easy but NC is unsaturated, suggesting LP acts as structural pretraining. Finally, we introduce CoTask Score (CTS) to summarize joint NC+LP utility when a shared encoder must serve both tasks, and show that simple dataset statistics, especially homophily, can guide mechanism choice and help avoid negative transfer.

Applications · Chemistry, Physics, and Earth Sciences

Tianmeng Hu, Biao Luo, Ke Li

Designing RNA sequences that reliably fold into specific secondary structures is essential for understanding their biological functions but remains a challenging computational problem. We propose CocoRNA, a cooperative multi-agent reinforcement learning framework for RNA inverse design. CocoRNA simplifies the design task by decomposing it into smaller sub-problems, each solved collaboratively by multiple agents. This approach reduces the complexity of the problem and improves the exploration of design policies. During training, a centralized critic uses global structural information to guide the agents, enabling them to jointly optimize their design strategies. As a result, CocoRNA learns high-quality RNA design policies that generalize effectively to unseen structures without additional training. Experiments on the Rfam dataset demonstrate that CocoRNA substantially outperforms state-of-the-art methods in both success rate and design speed. Further experiments on other biological sequence design tasks highlight the effectiveness and broad potential of CocoRNA for complex design tasks.

Applications · Computer Vision

Jiawei Zhou, Linye Lyu, Zhuotao Tian, Cheng Zhuo, YU LI

Safety-critical scenarios are essential for evaluating autonomous driving (AD) systems, yet they are rare in practice. Existing generators produce trajectories, simulations, or single-view videos—but they don’t meet what modern AD systems actually consume: realistic multi-view video. We present SMD, the first framework for generating multi-view safety-critical driving videos in the real-world domain. SMD couples a safety-critical trajectory engine with a diffusion-based multi-view video generator through three design choices. First, we pick the right adversary: a GRPO-fine-tuned vision-language model (VLM) that understands multi-camera context and selects vehicles most likely to induce hazards. Second, we generate the right motion: a two-stage trajectory process that (i) produces collisions, then (ii) transforms them into natural evasion trajectories—preserving risk while staying within what current video generators can faithfully render. Third, we synthesize the right data: a diffusion model that turns these trajectories into multi-view videos suitable for end-to-end planners. Videos generated by SMD substantially increase collision rates when stress testing multiple end-to-end planners, and reduce collision rates when incorporated into training, improving planner robustness and safety. Our code and video examples are available at: \href{https://icml-2.github.io/SMD/}{https://icml-2.github.io/SMD/}.

Reinforcement Learning · Deep RL

Tianmeng Hu, Biao Luo, Ke Li

Multi-objective reinforcement learning (MORL) seeks policies that effectively balance conflicting objectives. However, presenting many diverse policies without accounting for the decision maker’s (DM’s) preferences can overwhelm the decision-making process. On the other hand, accurately specifying preferences in advance is often unrealistic. To address these challenges, we introduce a human-in-the-loop MORL framework that interactively discovers preferred policies during optimization. Our approach proactively learns the DM’s implicit preferences in real time, requiring no a priori knowledge. Importantly, we integrate this preference learning directly into a parallel optimization framework, balancing exploration and exploitation to identify high-quality policies aligned with the DM's preferences. Evaluations on a complex quadrupedal robot simulation environment demonstrate that, with only interactions, our proposed method can identify policies aligned with human preferences, e.g., running like a dog. Further experiments on seven MuJoCo tasks and a multi-microgrid system design task against eight state-of-the-art MORAL algorithms fully demonstrate the effectiveness of our proposed framework. Demonstrations and full experiments are in https://sites.google.com/view/pbmorl/home.

Applications · Computer Vision

Xu He, Haoxian Zhang, Hejia Chen, Changyuan Zheng, Liyang Chen, Songlin Tang, Jiehui Huang, Xiaoqiang Liu, Pengfei Wan, Zhiyong Wu

Audio-driven visual dubbing aims to synchronize a video's lip movements with new speech but is fundamentally challenged by the lack of ideal training data: paired videos differing only in lip motion. Existing methods circumvent this via mask-based inpainting. However, masking inevitably destroys spatiotemporal context, leading to identity drift and poor robustness (e.g., to occlusions), while also inducing lip-shape leakage that degrades lip sync. To bridge this gap, we propose X-Dub, a novel two-stage generative bootstrapping framework leveraging powerful Diffusion Transformers to unlock mask-free dubbing. Our core insight is to repurpose a mask-based inpainting model exclusively as a dedicated data generator to synthesize scalable, high-fidelity pseudo-paired data, which is subsequently utilized to train and bootstrap a robust, mask-free editing model as the final video dubber. The final dubber is liberated from masking artifacts and leverages the complete video input for high-fidelity inference. We further introduce timestep-adaptive multi-phase learning to disentangle conflicting objectives (structure, lip motion, and texture) across diffusion phases, facilitating stable convergence and advanced editing quality. Additionally, we present X-DubBench, a benchmark for diverse scenarios. Extensive experiments demonstrate that our method achieves state-of-the-art performance with superior lip sync, visual quality, and robustness. More results can be viewed in the supplementary. Code and model will be released.

Applications · Chemistry, Physics, and Earth Sciences

Zherui Yang, Haiyang Xin, Tao Du, Ligang Liu

Neural operators have emerged as data-driven surrogates for solving partial differential equations (PDEs), and their success hinges on efficiently modeling the long-range, global coupling among spatial points induced by the underlying physics. In many PDE regimes, the induced global interaction kernels are empirically compressible, exhibiting rapid spectral decay that admits low-rank approximations. We leverage this observation to unify representative global mixing modules in neural operators under a shared low-rank template: compressing high-dimensional pointwise features into a compact latent space, processing global interactions within it, and reconstructing the global context back to spatial points. Guided by this view, we introduce Low-Rank Spatial Attention (LRSA) as a clean and direct instantiation of this template. Crucially, unlike prior approaches that often rely on non-standard aggregation or normalization modules, LRSA is built purely from standard Transformer primitives, i.e., attention, normalization, and feed-forward networks, yielding a concise block that is straightforward to implement and directly compatible with hardware-optimized kernels. In our experiments, such a simple construction is sufficient to achieve high accuracy, yielding an average error reduction of over 17\% relative to second-best methods, while remaining stable and efficient in mixed-precision training.