论文检索

Deep Learning · Robustness

Feiyang Wang, Hangwei Qian, Xingquan Zuo, Gang Chen, Ivor Tsang

Decision-based image attacks commonly rely on zeroth-order (ZO) Monte Carlo probing to estimate decision-boundary normals and iteratively refine adversarial perturbations to minimize the $\ell_2$ norm. We theoretically analyze and empirically demonstrate an intrinsic inefficiency arising from heterogeneous input sensitivity, where only a small subset of coordinates strongly affects the target model’s predictions, while most others have a negligible effect. Empirically, with one-bit feedback and a limited query budget, updates on low-sensitivity coordinates are overwhelmed by initialization and sampling noise, preventing their perturbations from exhibiting consistent improvement. By modeling ZO refinement as a stochastic dynamical system, we formally characterize its asymptotic behavior: the perturbation aligns (in expectation) with the normal and its coordinate-wise magnitudes encode a local sensitivity ranking. However, this stationarity does not generally yield $\ell_2$-optimal perturbations under nonlinear boundaries. Building on this observation, we propose a novel and effective algorithm, Sensitivity-Aware Rescaling (SAR), that leverages this sensitivity signal to infer an importance map from the current best perturbation, then progressively suppresses low-importance regions through a coarse-to-fine schedule to reduce the $\ell_2$ norm. Extensive experiments show that SAR achieves consistent improvements in perturbation norm, attack success rate, and visual imperceptibility. The code is available at https://anonymous.4open.science/status/SAR-436.

Optimization · Discrete and Combinatorial Optimization

Bin Chen, Shouliang Zhu, Beidan Liu, Yong Zhao, Tianle Pu, Huichun Li, Zhengqiu Zhu

Designing heuristics for combinatorial optimization problems (COPs) is a fundamental yet challenging task that traditionally requires extensive domain expertise. Recently, Large Language Model (LLM)-based Automated Heuristic Design (AHD) has shown promise in autonomously generating heuristic components with minimal human intervention. However, most existing LLM-based AHD methods enforce fixed algorithmic templates to ensure executability, which confines the search to component-level tuning and limits system-level algorithmic expressiveness. To enable open-ended solver synthesis beyond rigid templates, we propose Automated Algorithm Design via Evolutionary Program Trees (A$_2$DEPT), which treats LLMs as system-level algorithm architects. A$_2$DEPT explores the vast program space via a tree-structured evolutionary search with \textit{hybrid selection} and \textit{hierarchical operators}, enabling iterative refinement of complete algorithms. To make open-ended generation practical, we enforce executability with a lightweight program-maintenance loop that performs feedback-driven repair. In experiments, A$_2$DEPT consistently outperforms state-of-the-art baselines across standard and highly constrained benchmarks, reducing the optimality gap by an average of 9.8\%. Our work implies that system-level algorithm synthesis is a viable and scalable paradigm for LLM-driven optimization.

Social Aspects · Accountability, Transparency, and Interpretability

Tiejin Chen, Longchao Da, Xiaoou Liu, Hua Wei

Uncertainty Quantification (UQ) is widely regarded as the primary safeguard for deploying Large Language Models (LLMs) in high-stakes domains. However, \textbf{we argue that the field suffers from a category error: prevailing UQ methods are just unsupervised clustering algorithms.} We demonstrate that most current approaches inherently quantify the internal consistency of the model's generations rather than their external correctness. Consequently, current methods are fundamentally blind to factual reality and fail to detect ``confident hallucinations,'' where models exhibit high confidence in stable but incorrect answers. Therefore, the current UQ methods may create a deceptive sense of safety when deploying the models with uncertainty. In detail, we identify three critical pathologies resulting from this dependence on internal state: a hyperparameter sensitivity crisis that renders deployment unsafe, an internal evaluation cycle that conflates stability with truth, and a fundamental lack of ground truth that forces reliance on unstable proxy metrics to evaluate uncertainty. To resolve this impasse, we advocate for a paradigm shift to UQ and outline a roadmap for the research community to adopt better evaluation metrics and settings, implement mechanism changes for native uncertainty, and anchor verification in objective truth, ensuring that model confidence serves as a reliable proxy for reality.

Deep Learning · Algorithms

Cédric Goemaere, Gaspard Oliviers, Rafal Bogacz, Thomas Demeester

Predictive Coding (PC) offers a brain-inspired alternative to backpropagation for neural network training, described as a physical system minimizing its internal energy. However, in practice, PC is predominantly digitally simulated, requiring excessive amounts of compute while struggling to scale to deeper architectures. This paper reformulates PC to overcome this hardware-algorithm mismatch. First, we uncover how the canonical state-based formulation of PC (sPC) is, by design, deeply inefficient in digital simulation, inevitably resulting in exponential signal decay that stalls the entire minimization process. Then, to overcome this fundamental limitation, we introduce error-based PC (ePC), a novel reparameterization of PC which does not suffer from signal decay. Though no longer biologically plausible, ePC numerically computes exact PC weights gradients and runs orders of magnitude faster than sPC. Experiments across multiple architectures and datasets demonstrate that ePC matches backpropagation's performance even for deeper models where sPC struggles. Besides practical improvements, our work provides theoretical insight into PC dynamics and establishes a foundation for scaling PC-based learning to deeper architectures on digital hardware and beyond.

Deep Learning · Other Representation Learning

FANGZHENG WU, Brian Summa

Attention sinks (tokens that receive disproportionate attention mass) are often assumed to be functionally important in autoregressive language models. Whether such sinks are necessary in diffusion transformers remains unclear. We present a causal analysis of attention sinks in text-to-image diffusion models, dynamically identifying dominant attention recipients based on incoming attention mass. Using paired, training-free interventions along the score and value paths, we test sink necessity across layers, denoising phases, and architectures. Across large-scale evaluations on 553 GenEval prompts with Stable Diffusion~3 and corroborating experiments on SDXL, we find that removing \textbf{these sinks} does not degrade text-image alignment or preference proxies under standard settings ($k{=}1$), with a metric-dependent boundary on HPS-v2 emerging only under stronger interventions ($k \geq 10$). We additionally quantify perceptual and distributional shifts relative to baseline outputs, showing that suppressing dominant recipients can alter appearance without affecting alignment or preference scores. Together, these results clarify that attention sinks are not functionally necessary for \emph{semantic alignment} in diffusion transformers, while revealing a metric-dependent boundary: preference proxies show sink-specific degradation under stronger interventions ($k \geq 10$), whereas alignment (CLIP-T) remains robust across all tested conditions.

Deep Learning · Large Language Models

Dan Shi, Zhuowen Han, Deyi Xiong

Large language models (LLMs) have been globally adopted in various scenarios, making robust multilingual safety alignment a prerequisite for their reliable deployment across diverse languages. Despite recent advances, LLMs exhibit a substantial safety gap between high- and low-resource languages: models that can consistently refuse harmful requests in high-resource languages often fail to do so in low-resource languages. In this work, we reveal that such safety failures stem from insufficient representation-space separability between harmful and harmless prompts in low-resource languages. Through geometric analyses, we find that, compared to English, harmful prompts are significantly less separated from the manifold of harmless prompts, and that the resulting cross-lingual spatial margin gap is strongly correlated with attack success rates. Capitalizing on these insights, we propose Multilingual Spatial Margin Gap-based Optimization (SMO), a novel training strategy that exploits the well-aligned safety geometry of a dominant language (e.g., English) to enhance safety alignment in other languages. SMO explicitly leverages the spatial margin gap between English and target languages as an example-wise supervision signal, enabling effective cross-lingual transfer of safety capabilities while preserving the dominant language’s original performance. Experiments conducted on LLaMA-3.1-8B-Instruct and Qwen2.5-7B-Instruct demonstrate that SMO is capable of substantially reducing attack success rates in low-resource languages to near zero, often reaching zero, while maintaining strong general multilingual performance. Warning: This paper contains content that may be harmful.

Probabilistic Methods · Gaussian Processes

Hui Li, Huafeng Liu, Chenguang Li, Tianxiao Zhang, Yajun Yang, Liping Jing

Parametric partial differential equations (PDEs) serve as fundamental models across science and engineering, yet constructing fast and accurate surrogate models from sparse, irregularly sampled observations with reliable uncertainty quantification remains challenging. Existing approaches struggle to simultaneously handle variable observation patterns, preserve physics consistency, and provide well-calibrated predictive uncertainty. We introduce Bias-Spectrum Neural Processes (BSNP), a unified meta-learning framework that systematically integrates weak structural priors (translation equivariance, locality) with strong physical priors (governing equations and boundary conditions). BSNP addresses two critical obstacles: discretization overfitting through stochastic collocation that resamples residual evaluation points, and uncertainty collapse through mean-field enforcement that applies PDE constraints only to predictive means while preserving learned uncertainty. Comprehensive experiments on nonlinear Poisson equations, Burgers dynamics, and Navier-Stokes flows demonstrate that BSNP achieves superior accuracy and well-calibrated uncertainty quantification in sparse-data regimes.

Deep Learning · Large Language Models

Mahesh Ramesh, Kaousheik Jayakumar, Aswinkumar Ramkumar, Pavan Thodima, Aniket Rege, Emmanouil-Vasileios Vlatakis-Gkaragkounis

Cooperative reasoning under incomplete information remains complex for both humans and multi-agent AI, requiring agents to transcend individual logic in favor of recursive Theory-of-Mind (ToM) and strategic coordination. To investigate these challenges, we conduct a large-scale evaluation of 17 state-of-the-art LLMs (4B–600B+) on Hanabi card game across 2–5 players. To examine their limitations, we analyze the impact of context engineering and scaffold robustness, ranging from minimal prompts (Watson setting) to Bayesian-motivated scaffolding (Sherlock setting) and multi-turn working memory (Mycroft setting). Our findings reveal that: (1) top-performing models can autonomously track game states via internal working memory, although not reliably, and (2) cross-play performance scales smoothly with model capability. However, even the best models (scoring ≈ 15/25) trail specialist human experts (> 20/25). We introduce and release two novel datasets: HanabiLogs (1,520 annotated trajectories) and HanabiRewards (560 games with dense move-level utilities). By fine-tuning a 4B open-weight model (Qwen3-Instruct) on our datasets, we achieve performance gains of up to 156%, bringing performance to within 3 points of a strong proprietary reasoning model (o4-mini) and surpassing the best non-reasoning model (GPT-4.1) by 52%. Crucially, our HanabiRewards RL-finetuned model further generalizes beyond Hanabi, improving performance on a cooperative group-guessing benchmark by 11%, temporal reasoning on EventQA by 6.4%, instruction-following on IFBench-800K by 1.7 Pass@10, and matching AIME 2025 mathematical reasoning Pass@10. Code and datasets are available at {redacted for double blind}.

Social Aspects · Safety

Shuhui Zhu, Yue Lin, Shriya Kaistha, Wenhao Li, Baoxiang Wang, Hongyuan Zha, Gillian Hadfield, Pascal Poupart

Indirect reciprocity, which means helping those who help others, is difficult to sustain among decentralized, self-interested LLM agents without reliable reputation systems. We introduce Agentic Linguistic Gossip Network (ALIGN), an automated framework where agents strategically share open-ended gossip using hierarchical tones to evaluate trustworthiness and coordinate social norms. We demonstrate that ALIGN consistently improves indirect reciprocity and resists malicious entrants by identifying and ostracizing defectors without changing intrinsic incentives. Notably, we find that stronger reasoning capabilities in LLMs lead to more incentive-aligned cooperation, whereas chat models often over-cooperate even when strategically suboptimal. These results suggest that leveraging LLM reasoning through decentralized gossip is a promising path for maintaining social welfare in agentic ecosystems.

Deep Learning · Large Language Models

Ruishu Zhu, Zhihao Huang, Jiacheng Sun, Ping Luo, Hongyuan Zhang, Xuelong Li

Motivated by discrete diffusion's success in language-vision modeling, we explore its potential for multi-view generation, a task dominated by continuous approaches. We introduce \textbf{ViewMask-1-to-3}, formulating multi-view synthesis as a discrete sequence modeling problem where each viewpoint is represented as visual tokens from MAGVIT-v2. Through \textbf{masked token prediction}, our approach \textbf{enables progressive multi-view generation via iterative token unmasking}, unifying language and vision in a shared token space. Importantly, simple random masking combined with self-attention naturally encourages cross-view consistency without specialized architectures or 3D geometric priors. Our method outperforms the baseline on the GSO and 3D-FUTURE benchmarks, ranking first on average across standard image metrics and improving IoU by 10.6\% on 3D-FUTURE. This validates discrete diffusion as a promising candidate for multi-view generation.

Deep Learning · Large Language Models

Zhiwei Zhang, Yudi Lin, Linlin Wu, Fali Wang, Yi Xin, Xiaomin Li, Minhua Lin, Xianfeng Tang, Qi He, Suhang Wang

Diffusion language models (DLMs) have recently emerged as an alternative to autoregressive approaches, enabling parallel sequence generation and flexible token generation orders. Machine unlearning plays a critical role in mitigating legal and ethical risks by removing the influence of specific training examples from trained models. While unlearning has been extensively studied for autoregressive language models, its applicability to DLMs remains unexplored. The architectural differences of DLMs raise new challenges for effective and robust unlearning that are not addressed by existing methods. In this paper, we present the first comprehensive study of unlearning for DLMs. Through systematic empirical analysis, we show that unlearning performance in DLMs is highly sensitive to generation hyperparameters, highlighting the need for evaluation across diverse generation settings. We further observe that DLMs tend to reproduce unlearned information when target inputs are embedded within informative contexts, due to their ability to incorporate both prefix and suffix conditioning, which increases vulnerability to elicitation attacks and weakens the robustness of existing unlearning methods. To design a robust unlearning method, we propose an adversarial reinforcement learning framework, where a context generator adversarially produces informative contexts to elicit unlearned knowledge, while the DLM is optimized to suppress undesired recall. We further introduce novel components to address credit assignment and stability issues in this adversarial learning setup. Extensive experiments demonstrate that our method significantly improves unlearning effectiveness while preserving model utility. Our code is available at: https://anonymous.4open.science/r/dllm_unlearning-771D/

Deep Learning · Large Language Models

Taoyuze Lv, Alexander Chen, Fengyu Xie, Chu Wu, Jeffrey Meng, Dongzhan Zhou, Yingheng Wang, Bram Hoex, Zhicheng Zhong, Tong Xie

Large language models (LLMs) have shown promising potential in materials science, enabling tasks ranging from knowledge retrieval to property prediction. Existing materials science benchmarks mainly focus on perceptual or knowledge-based tasks, largely ignoring the structure modelling tasks, a core challenge in real scientific workflows. In practice, constructing and manipulating atomic structures is one of the most creative and least automated steps in materials research. In this work, we introduce AtomWorld, a benchmark designed to evaluate the abilities of LLMs on structure modifications. The benchmark includes ten fundamental actions under four widely used modelling categories, enabling verifiable evaluation metrics. We find that Gemini 2.5 Pro generally performs the best. While the success rate decreases markedly with increasing modelling complexity, with particularly low success rates (below 12\% for rotation) for operations involving complex spatial relations. Our results suggest that contemporary LLMs are better suited as copilots for materials structure modelling rather than fully unsupervised autonomous scientific agents. Beyond evaluation, AtomWorld also serves as a testbed and playground for developing future structure-aware models, including reinforcement learning and agentic approaches.

Deep Learning · Large Language Models

Zizhe Chen, Jiqian Dong, Yizhou Tian, Garry YANG, Yongqiang Chen, Zhitang Chen, James Cheng

Reinforcement Learning (RL) refines large language models (LLMs) by directly optimizing model behavior with reward signals. Although accurate state value estimation is essential for stable training in classical RL settings, it remains an understudied challenge in LLM post-training. In this work, we demonstrate that accurate value estimation can stabilize and improve post-training. First, we construct State Value Estimation Benchmark (SVEB) and show that critics of standard approaches like PPO simply degenerate toward a coarse group-average baseline. To overcome this, we propose two techniques. One is a heuristic method *Numca*, which uses numbers in responses as state representation to calculate state value. Another is a general hidden-state-based framework *Hista*, which utilize the semantic information in hidden states to group disjoint responses. Experiments show that when equipped with these improved estimates, training gains better performance consistently with different RL algorithms.

Deep Learning · Large Language Models

Mihir Prabhudesai, Aryan Satpathy, Yangmin Li, Zheyang Qin, Nikash Bhardwaj, Amir Zadeh, Chuan Li, Katerina Fragkiadaki, Deepak Pathak

We have witnessed remarkable advances in LLM reasoning capabilities with the advent of DeepSeek-R1. However, much of this progress has been fueled by the abundance of internet question–answer (QA) pairs—a major bottleneck going forward, since such data is limited in scale and concentrated mainly in domains like mathematics. In contrast, other sciences such as physics lack sufficient large-scale QA datasets to effectively train reasoning-capable models. In this work, we show that physics simulators can serve as a powerful alternative source of supervision for training LLMs for physical reasoning. We generate random scenes in physics engines, create synthetic question–answer pairs from simulated interactions, and train LLMs using reinforcement learning on this synthetic data. Our models exhibit zero-shot sim-to-real transfer to real-world physics benchmarks: for example, training solely on synthetic simulated data improves performance on IPhO (International Physics Olympiad) problems by 5–10 percentage points across different model sizes. These results demonstrate that physics simulators can act as scalable data generators, enabling LLMs to acquire deep physical reasoning skills beyond the limitations of internet-scale QA data.

Deep Learning · Large Language Models

Yubing Ren, Ping Guo, Yanan Cao

Large generative models raise growing concerns about provenance, misinformation, and impersonation. Digital watermarking offers a principled solution, yet extending it to natural language remains challenging due to text discreteness and sensitivity to semantic perturbations. Existing text watermarking methods either operate at the token level requiring white-box access and remaining fragile to paraphrasing, or at the sentence level, which supports black-box deployment but suffers from low Watermark Success Rate (WSR). We show that low WSR in sentence-level watermarking primarily stems from low injection success probability caused by a mismatch between posterior embedding distributions and semantic accept regions. Based on this insight, we propose \textbf{X-Guard}, a geometry-aware sentence-level watermarking framework that improves injection success by jointly optimizing embedding distributions and semantic space partitioning. X-Guard learns a more isotropic embedding space and introduces \textbf{A$^2$PQ}, a centroid-aligned partitioning scheme that approximately equalizes probability mass across regions. Extensive experiments across multiple models, languages, and attack settings demonstrate that X-Guard consistently improves robustness while preserving text fluency and practical deployability.

Deep Learning · Large Language Models

Jiayu Bai, Danchen Yu, Zhenyu Liao, TianQi Hou, Feng Zhou, Robert Qiu, Zenan Ling

Kronecker adapters have emerged as a promising approach for fine-tuning large-scale models, enabling high-rank updates through tunable component structures. However, existing work largely treats the component structure as a fixed or heuristic design choice, leaving the dimensions and number of Kronecker components underexplored. In this paper, we identify component structure as a key factor governing the capacity of Kronecker adapters. We perform a fine-grained analysis of both the dimensions and number of Kronecker components. In particular, we show that the alignment between Kronecker adapters and full fine-tuning depends on component configurations. Guided by these insights, we propose Component Designed Kronecker Adapters (CDKA). We further provide parameter-budget–aware configuration guidelines and a tailored training stabilization strategy for practical deployment. Experiments across various natural language processing tasks demonstrate the effectiveness of CDKA.

Social Aspects · Accountability, Transparency, and Interpretability

Peng Cui, Jiahao Zhang, Lijie Hu

While Contrastive Learning (CL) has revolutionized self-supervised representation learning, its latent representations remain highly entangled and opaque, limiting their interpretability in safety-critical applications. We identify that a fundamental cause of this entanglement is the reliance on deterministic similarity measures, which treat all feature dimensions equally. In compositional scenes, this creates an Optimization Conflict: common background features, such as, "blue sky", are encouraged to align in positive pairs but simultaneously repelled in negative pairs, causing gradient oscillations that hinder precise semantic disentanglement. To address this, we propose **BayesNCL** (Bayesian Gated Non-Negative Contrastive Learning). Unlike standard approaches, BayesNCL introduces a probabilistic gating mechanism that dynamically filters out task-irrelevant, high-frequency common features while selectively retaining discriminative semantics. By formalizing feature selection as a variational inference problem with a sparse Bernoulli prior, our method effectively resolves the optimization conflict. Empirical experimental results on benchmark datasets demonstrate that BayesNCL achieves a remarkable 142.1\% improvement in semantic consistency compared to state-of-the-art baselines, yielding highly interpretable representations without compromising downstream task performance.

Applications · Computer Vision

Nils Morbitzer, Jonathan Evers, Artem Savkin, Thomas Stauner, Nassir Navab, Federico Tombari, Stefano Gasperini

Forecasting the evolution of dynamic environments is crucial for autonomous agents. While generative world models have recently achieved high photorealism in 2D video synthesis, by mixing within the image plane ego-motion and environmental dynamics, they exhibit physical inconsistencies, such as morphing or vanishing objects, especially over long time horizons. In this paper, we propose FR3D, a world model that predicts a persistent 3D latent representation for future dynamic 3D reconstruction. Unlike prior works that treat the world as a sequence of image-based features, FR3D explicitly decouples the 3D evolution of the scene from the agent's trajectory, treating the inferred ego-motion as a latent proxy for action. This disentanglement resolves the ambiguities between self-motion and world-motion, ensuring geometric consistency into the future. Furthermore, we introduce a teacher-student distillation strategy that leverages the spatial "common sense" of off-the-shelf foundation models, leading to robust zero-shot generalization. Extensive experiments demonstrate FR3D's strong performance for future dynamic 3D reconstruction from monocular observations across multiple datasets, even 2 seconds into the future.

Deep Learning · Large Language Models

Dulhan Jayalath, Shashwat Goel, Thomas Foster, Parag Jain, Suchin Gururangan, Cheng Zhang, Anirudh Goyal, Alan Schelten

Where do learning signals come from when there is no ground truth in post-training? We show that inference compute itself can serve as supervision. By generating parallel rollouts and converting them into reference estimates, models can learn without human labels—critically, even in non-verifiable domains like healthcare guidance where no programmatic checker exists. We call this framework *Compute as Teacher (CaT)* and it turns inference-time compute from parallel rollouts into supervision for RL training. The framework has two components: (1) reference estimation which aggregates rollouts into a pseudo-reference answer, and (2) reward derivation which converts that pseudo-reference into RL rewards. For (1), we explore a simple method we call *synthesis*, but the framework admits any aggregator. For (2), we introduce self-proposed rubrics for non-verifiable domains. These are binary, auditable criteria generated from the pseudo-reference and scored by an LLM judge. On HealthBench, models trained with CaT match or exceed inference-time aggregation quality while using 9× less test-time compute. Here, CaT also competes with learning from expert physician annotations, yielding up to +30% relative improvement over the initial policy. The framework extends naturally to verifiable rewards, matching the best existing baselines on MATH-500 in test-time RL and demonstrating 'drop-in' versatility across both types of domains.

Deep Learning · Large Language Models

Mengfei Zhang, Yu Mi, Leijing Zhou

Autoregressive Large Language Models (LLMs) often fail in complex reasoning because early-stage errors remain uncorrectable in subsequent steps—a limitation fundamentally rooted in the inherent irreversibility of the Transformer architecture. In this paper, we propose HEdit, a lightweight reasoning enhancement paradigm that equips models with a "hindsight-like" capability for dynamic error correction during generation. Our core insight involves deconstructing reasoning failures into two pivotal stages: latent representational biases emerging at logical anchors, and the subsequent eruption of explicit cognitive dissonance at trigger points. Based on these observations, the HEdit framework detects internal inconsistency signals at trigger points in real-time, actively backtracks to critical anchors, and utilizes a lightweight trainable editor to precisely refine their Key-Value (KV) caches. This mechanism effectively breaks the unidirectional constraints of autoregressive inference. Empirical results demonstrate that HEdit significantly enhances the performance of various models on mathematical reasoning tasks—with average accuracy improvements ranging from 2.2\% to 10.8\%—while maintaining extremely low overhead (add parameters $<0.5\%$). HEdit provides a dynamic, pluggable and lightweight solution, making it particularly beneficial for users in low-resource environments. Our code can be found at anonymous github: https://anonymous.4open.science/r/ac3d2-51CF/