论文检索

Social Aspects · Accountability, Transparency, and Interpretability

Marcelo Sartori Locatelli, Fernando Tonucci, Jea Kwon, Luiz Felipe Vecchietti, Bryan Nathanael Wijaya, Cheng Yaw Low, Virgilio Almeida, MEEYOUNG CHA

Geospatial understanding is a critical yet underexplored dimension in the development of machine learning systems for tasks such as image geolocation and spatial reasoning. In this work, we analyze the geospatial representations acquired by three model families: vision-only architectures (e.g., ViT), vision-language models (e.g., CLIP), and large-scale multimodal foundation models (e.g., LLaVA, Qwen, and Gemma). By evaluating across image clusters, including people, landmarks, and everyday objects, grouped based on the degree of localizability, we reveal systematic gaps in spatial accuracy and show that textual supervision enhances the learning of geospatial representations. Our findings suggest the role of language as an effective complementary modality for encoding spatial context and multimodal learning as a key direction for advancing geospatial AI.

Deep Learning · Large Language Models

Marcelo Arenas, Pablo Barcelo, Luis Cofré, Alexander Kozachinskiy

Kleinberg and Mullainathan showed that language generation in the limit is always possible at the level of computability: given enough positive examples, a learner can eventually generate data indistinguishable from a target language. However, such existence results do not address feasibility. We study the sample complexity of language generation in the limit for several canonical classes of formal languages. Our results show that infeasibility already appears for context-free and regular languages, and persists even for strict subclasses such as locally threshold testable languages, as well as for incomparable classes such as non-erasing pattern languages, a well-studied class in the theory of language identification. Overall, our results establish a clear gap between the theoretical possibility of language generation in the limit and its computational feasibility.

Deep Learning · Large Language Models

Mengzhao Chen, Meng Wu, Hui Jin, Zhihang Yuan, Jing Liu, Chaoyi Zhang, Yunshui Li, Jie Huang, Jin Ma, Zeyue Xue 等

Modern AI hardware, such as Nvidia's Blackwell architecture, is increasingly embracing low-precision floating-point (FP) formats to handle the pervasive activation outliers in Large Language Models (LLMs). Despite this industry trend, a unified comparison of FP and integer (INT) quantization across varying granularities has been missing, leaving algorithm and hardware co-design without clear guidance. This paper fills that gap by systematically investigating the trade-offs between FP and INT formats. We reveal a critical performance crossover: while FP excels in coarse-grained quantization, INT consistently surpasses it as the quantization block size shrinks. Our comprehensive comparison demonstrates that for popular fine-grained formats like MX (block size 32), MXINT8 and MXINT4 are superior to their FP counterparts in both algorithmic accuracy and hardware efficiency. We also introduce a symmetric clipping method that resolves gradient bias in fine-grained low-bit INT training, enabling nearly lossless performance for MXINT8 training. These findings challenge the current hardware trajectory and advocate for prioritizing fine-grained INT formats in future AI accelerators to achieve a better balance of accuracy, power, and efficiency.

Social Aspects · Fairness

Chengye Wang, Yuyuan Li, XiaoHua Feng, Xiaolin Zheng, Chaochao Chen

Vision-Language Models (VLMs) inherit social biases from large-scale pretraining data, and these biases can amplify in downstream tasks, leading to systematic performance disparities across sensitive groups. Due to the high training cost and the risk of catastrophic forgetting, recent research has focused more on lightweight \emph{test-time} debiasing, aiming to obtain an ideal fair embedding for each query. However, such point-based corrections are often unstable and become notably weaker in multi-class settings, where group structure cannot be adequately captured by a single point. Therefore, we propose W4D, a distributional debiasing framework that reframes fairness as aligning query embedding distributions to group reference distributions under the Wasserstein distance, which provides a geometry-aware notion of discrepancy beyond mean shifts. To make this alignment practical at test-time, W4D introduces probabilistic prompts that induce controlled distributional perturbations and optimizes a Wasserstein-based objective to reduce cross-group disparity while preserving task-relevant semantics. This distributional perspective improves robustness in multi-class debiasing and yields a stronger fairness--utility trade-off across diverse VLM downstream evaluations. Our code is available at https://anonymous.4open.science/r/W4D/.

Optimization · Zero-order and Black-box Optimization

Yonghan Yang, Ye Yuan, Zipeng Sun, Linfeng Du, Bowei He, Haolun Wu, Can Chen, Xue Liu

Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically bifurcate into inverse methods, which struggle with the ill-posed nature of mapping scores to designs, and forward methods, which often lack the distributional expressivity to quantify uncertainty effectively. In this work, we propose \textbf{SPADE} (\textbf{S}upport-\textbf{P}roximity \textbf{A}ugmented \textbf{D}iffusion \textbf{E}stimation), a novel framework that reimagines forward surrogate modeling through the lens of conditional generative modeling. SPADE models the forward likelihood $p(y|\boldsymbol{x})$ using a diffusion model, but with two critical enhancements to tailor it for optimization: (1) a \emph{Calibrated Diffusion Estimation} module that enforces global consistency in statistical moments and pairwise rankings, and (2) a \emph{Support-Proximity Regularization} mechanism that implicitly internalizes the data manifold constraint $p(\boldsymbol{x})$ via kNN-based density estimation. Theoretically, we prove that our regularization is first-order equivalent to maximizing a Bayesian posterior with a valid design prior. Empirically, SPADE achieves state-of-the-art performance across Design-Bench tasks and an LLM data mixture optimization benchmark. Our code is available through the anonymous repo \href{https://anonymous.4open.science/r/diffsurr-icml2026-C4FD/}{here}.

Applications · Computer Vision

Yixing Yong, Jian Wang, Ming Lei, Lijun He, Fan Li

Infrared object detection is crucial for perception in autonomous driving and surveillance but remains vulnerable to physical adversarial attacks. Unlike in the RGB domain, where attacks rely on color texture, infrared attacks must manipulate thermal signatures, making the geometry shape of heat-blocking materials the primary adversarial information carrier. Current shape-based methods suffer from a fundamental trade-off between representational capability and optimization power, limiting their attack effectiveness. In this work, we overcome this dilemma by introducing learnable Fourier shapes to the infrared domain. We utilize an end-to-end differentiable framework where a compact set of Fourier coefficients, defining the shape boundary, is analytically mapped to a pixel-space mask via the winding number theorem. This enables efficient gradient-based optimization to generate potent shapes that cause human targets to evade detection. Extensive digital and physical experiments provide a comprehensive evaluation and validate our superior performance. Our resulting physical patch achieves striking robustness, successfully evading detectors across diverse distances, angles, poses, and individuals, and achieves over 88% attack success rate at distances greater than 25m (conf.=0.5).Video demo and source code are available in the supplementary material.

General Machine Learning · Online Learning, Active Learning and Bandits

Jiancheng Zhang, Meiqing Li, Qi Zhang, Yinglun Zhu

Real-world datasets across image and text domains are often characterized by skewed class distributions and noisy annotations, which jointly degrade model performance, particularly on minority classes. Among existing solutions, active learning offers an effective and efficient paradigm by selectively querying the most informative and balanced samples for annotation. We propose an innovative active learning framework that mitigates class imbalance and selects the most informative samples to annotate. Leveraging foundation model priors, our algorithm enables imbalance-aware co-decisions between foundation model and small model to tackle noisy and imbalanced labels across various domains. We introduce the first study to systematically explore active learning under the dual challenges of label noise and class imbalance across image and text domains. Extensive experiments on imbalanced datasets demonstrate that our method achieves substantial annotation savings—over 50\% compared to the best active learning baseline—while preserving performance and robustness to label noise.

Deep Learning · Large Language Models

Zitian Gao, Yilong Chen, Haoming Luo, Joey Zhou, Bryan Dai

In this work, we propose One-shot Entropy Minimization (EM), a simple and fully unsupervised post-training approach that significantly improves reasoning and generation performance using only a single unlabeled data and approximately ten gradient steps. To avoid data contamination, we pretrain a 7-billion-parameter language model from scratch with strictly decontaminated data. Despite its extreme simplicity, one-shot EM yields substantial performance gains and improves reasoning abilities across a broad range of domains, including mathematical reasoning, logical reasoning, and coding. We further show that entropy minimization induces a characteristic right-skewed logit shift, amplifying high-probability tokens while suppressing low-probability tails, in contrast to reinforcement learning. Our findings suggest that entropy minimization primarily acts as a distribution shaping mechanism rather than a conventional learning process, offering an efficient and practical algorithm for post-training large language models.

Applications · Chemistry, Physics, and Earth Sciences

Zipeng Sun, Can Chen, Ye Yuan, Haolun Wu, Jiayao Gu, Christopher Pal, Xue Liu

We study offline black-box optimization (BBO), aiming to discover improved designs from an offline dataset of designs and labels, a problem common in robotics, DNA, and materials science with limited labeled samples. While recent work applies autoregressive LLMs to BBO by formatting tasks as natural-language prompts, their left-to-right design generation struggles to capture the strong bidirectional dependencies inherent in design problems. To address this, we propose adapting diffusion LLMs to offline BBO to leverage their bidirectional modeling capabilities. However, a domain gap exists between the natural text pre-training of diffusion LLMs and the heterogeneous signals in BBO (prompts, designs, and labels). To bridge this gap, we construct a unified prompt–response corpus and introduce delimiter tokens to explicitly mark field boundaries for *domain adaptation*. We further propose a two-stage *post-training* framework to align the diffusion LLM generation with high-label designs. The first stage performs supervised fine-tuning on the unified dataset via masked-response prediction, and the second stage adopts reinforcement learning with rewards defined by label improvements. Our method achieves state-of-the-art results on Design-Bench small-data settings. Code for our work is available here: https://anonymous.4open.science/r/Anonymous-dllm4bbo-D78A/README.md.

Social Aspects · Privacy

Sangyeon Yoon, Yeachan Jun, Albert No

Large language models increasingly face demands to "forget" training data, knowledge, or behaviors due to regulatory deletion obligations, copyright/licensing disputes, and safety or product-policy requirements. **This position paper argues that *machine unlearning* is overused as a term in LLM research and should be reserved for dataset-defined deletion: removing the training influence of a precisely specified forget set such that the resulting model is (approximately) indistinguishable from retraining without that data.** We contend that many tasks currently labeled "unlearning" (e.g., refusal for harmful requests, entity/knowledge removal, or targeted suppression) pursue different, often policy-dependent objectives and therefore require different terminology and baselines (e.g., alignment, suppression, editing, obfuscation). We further argue that this confusion is not cosmetic: because papers make different implicit guarantees under the same label, metrics and benchmarks are frequently reused outside their intended scope, rewarding surface-level non-disclosure (e.g., low ROUGE/forget accuracy) even when retraining-equivalence is not tested and derived capabilities remain. We conclude by calling for stricter terminology tied to explicit guarantees and reference models, and for evaluations that match the claimed objective.

Deep Learning · Large Language Models

Ao Tian, Yunfeng Lu, Xinxin Fan, Changhao Wang, Lanzhi Zhou, Yeyao Zhang, Yanfang Liu

Personalized and continuous interactions are critical for LLM-based conversational agents, yet finite context windows and static parametric memory hinder the modeling of long-term, cross-session user states. Existing approaches, including retrieval-augmented generation and explicit memory systems, primarily operate at the fact level, making it difficult to distill stable preferences and deep user traits from evolving and potentially conflicting dialogues.To address this challenge, we propose RGMem, a self-evolving memory framework inspired by the renormalization group (RG) perspective on multi-scale organization and emergence. RGMem models long-term conversational memory as a multi-scale evolutionary process: episodic interactions are transformed into semantic facts and user insights, which are then progressively integrated through hierarchical coarse-graining, thresholded updates, and rescaling into a dynamically evolving user profile.By explicitly separating fast-changing evidence from slow-varying traits and enabling non-linear, phase-transition-like dynamics, RGMem enables robust personalization beyond flat retrieval or static summarization. Extensive experiments on the LOCOMO and PersonaMem benchmarks demonstrate that RGMem consistently outperforms SOTA memory systems, achieving stronger cross-session continuity and improved adaptation to evolving user preferences.

Deep Learning · Generative Models and Autoencoders

Sven Gutjahr, Riccardo De Santi, Luca Schaufelberger, Kjell Jorner, Andreas Krause

Adapting generative foundation models, in particular diffusion and flow models, to optimize given reward functions (e.g., binding affinity) while satisfying constraints (e.g., molecular synthesizability) is fundamental for their adoption in real-world scientific discovery applications such as molecular design or protein engineering. While recent works have introduced scalable methods for reward-guided fine-tuning of such models via reinforcement learning and control schemes, it remains an open problem how to algorithmically trade-off reward maximization and constraint satisfaction in a reliable and predictable manner. Motivated by this challenge, we first present a rigorous framework for *Constrained Generative Optimization*, which brings an optimization viewpoint to the introduced adaptation problem and retrieves the relevant task of constrained generation as a sub-case. Then, we introduce Constrained Flow Optimization (CFO), an algorithm that automatically and provably balances reward maximization and constraint satisfaction by reducing the original problem to progressive fine-tuning via established, scalable methods. We provide convergence guarantees for constrained generative optimization and constrained generation via CFO. Ultimately, we present an experimental evaluation of CFO on both synthetic, yet illustrative, settings, and a molecular design task.

Deep Learning · Other Representation Learning

Cheng Zhang, Minnan Luo, Zesheng Yang, Ming Li, Yong-Jin Liu, Qinghua Zheng

Transformer architectures have dramatically advanced representation learning and inference in deep models through self-attention mechanisms. In parallel, associative memory (AM) frameworks map representations onto energy landscapes, offering interpretable retrieval mechanisms. However, their continuous-time inference dynamics lack the biological plausibility of classical Continuous Attractor Neural Networks (CANNs). To bridge this gap, we propose **Controlled Dynamics Attractor Transformer (CDAT)**, which couples a mixture von Mises–Fisher (Mo–vMF) attention energy with a Hopfield refinement energy, while augmenting energy descent with a CANN-inspired excitation–inhibition modulation. **CDAT** instantiates a topology-constrained dynamical system whose couplings encode relational structure among tokens, thereby linking attractor-style dynamics to modern energy-based attention. We further provide a constructive dissipation analysis to formally establish their controlled inference dynamics. Benefiting from these robust and structured dynamics, **CDAT** achieves state-of-the-art performance across multiple benchmarks in graph anomaly detection and graph classification.

Deep Learning · Large Language Models

Rafael Rivera Soto, Barry Chen, Nicholas Andrews

Despite considerable progress in the development of machine-text detectors, the ease with which machine-text can be manipulated to evade detection has led to suggestions that the problem is inherently intractable. In this work, we investigate the limits of such evasion strategies. We demonstrate that while current attacks, ranging from prompt engineering to detector-guided optimization can effectively degrade performance of standard detectors, they fail to erase the underlying stylistic "fingerprints" of machine text. We show that few-shot detectors that utilize the stylistic feature space are robust to these evasion attempts, reliably detecting samples even from models explicitly tuned to prevent detection. This raises the question: does style represent a universal defense against machine-detection attacks? We demonstrate that the answer is "no" by introducing a novel paraphrasing approach that simultaneously optimizes for undetectability and adherence to specific human styles. We show that unlike prior methods, this attack effectively evades all considered detectors, including those that utilize writing style. However, we find that this evasion is not absolute: as the number of documents available for analysis grows, the human and machine distributions become distinguishable again. Overall, our findings suggest that reliable machine-text detection requires moving beyond single-document analysis to multi-document analysis.

Theory · Domain Adaptation and Transfer Learning

Zhexiao Lin, Yuanyuan Li, Neeraj Sarna, Yuanyuan Gao, Michael Berger

Large language models have achieved impressive performance across diverse tasks. However, their tendency to produce overconfident and factually incorrect outputs, known as hallucinations, poses risks in real world applications. Conformal prediction provides finite-sample, distribution-free coverage guarantees, but standard conformal prediction breaks down under domain shift, often leading to under-coverage and unreliable prediction sets. We propose a new framework called Domain-Shift-Aware Conformal Prediction (DS-CP). Our framework adapts conformal prediction to large language models under domain shift, by systematically reweighting calibration samples based on their proximity to the test prompt, thereby preserving validity while enhancing adaptivity. Our theoretical analysis and experiments on the MMLU benchmark demonstrate that the proposed method delivers more reliable coverage than standard conformal prediction, especially under substantial distribution shifts, while maintaining efficiency. This provides a practical step toward trustworthy uncertainty quantification for large language models in real-world deployment.

Deep Learning · Generative Models and Autoencoders

Xiaochao Deng, Jie Chen, Xiaogang Deng

Accurately modeling the full distributions of possible states is crucial for understanding statistical properties and enabling reliable predictions in complex, unsteady physical systems. Recently, diffusion models and flow matching have shown promise in these tasks. However, they remain limited in uncovering the general principles of systems from multiple short trajectories across condition space. In addition, they exhibit inferior adaptability to large irregular geometries, particularly in regions with sharp gradients. In this paper, we propose a condition-aware graph flow matching (CGFM) method that combines condition-aware flow matching with a hierarchical graph structure to learn the full distributions of physical systems from incomplete training data. Specifically, CGFM constructs a flow enabling smooth interpolation across physical conditions and parameterizes the graph-conditioned vector field through HieraGraphNet. HieraGraphNet performs message passing across multilevel graphs to capture multi-scale dynamics and facilitate long-range information interactions in physical systems. Moreover, we introduce a topology- and geometry-aware graph coarsening scheme that incorporates topological connectivity and local geometric density to construct reliable coarse graphs. We validate the effectiveness of CGFM on three canonical scenarios across both 2D and 3D dynamics, which demonstrate its superior performance compared with that of state-of-the-art baselines.

Social Aspects · Safety

Haowen Hu, Pengzhou Cheng, Zheng Wu, Lingzhong Dong, Gongshen Liu, Zhuosheng Zhang

Vision-language model (VLM) based graphical user interface (GUI) agents have shown strong interaction capabilities. However, they often behave unfaithfully, relying on memorized shortcuts rather than grounding actions in displayed screen evidence or user instructions. To address this, we propose **Faithful-Agent**, a faithfulness-first framework that reformulates GUI interaction to prioritize evidence groundedness and internal consistency. Faithful-Agent employs a two-stage pipeline: (i) a faithfulness-oriented SFT stage to instill abstainment behaviors under evidence perturbations; (ii) an RFT stage that further amplifies faithfulness by introducing the guided advantage estimator (GuAE), an anchor-based and variance-adaptive advantage tempering mechanism built upon GRPO. GuAE prevents advantage collapse in low-variance rollout groups under sparse GUI rewards, and with a thought-action consistency reward, Faithful-Agent (Stage II) elevates the Trap SR from 13.88\% to 80.21\% relative to the baseline, while preserving robust general instruction-following performance.

General Machine Learning · Evaluation

Yuanhao Shen, Daniel de Sousa, Ricardo de Andrade Nascimento, Hongyu Guo, Xiaodan Zhu

Innovation is a key driving force of human civilization. As the body of knowledge has grown considerably, bridging knowledge across different disciplines, where significant innovation often emerges, has become increasingly challenging. The recent advancements in machine learning models, particularly Large Language Models (LLMs), have provided effective access to extensive knowledge sources and shown impressive abilities in reasoning, rendering significant opportunities for interdisciplinary discovery. Our research aims to understand the capabilities of state-of-the-art LLMs in integrating knowledge from different fields for interdisciplinary research (IDR). To address this fundamental problem, we introduce IDRBench, a pioneering framework that includes both datasets and evaluation tasks: (1) IDR Paper Identification, (2) IDR Idea Integration, and (3) IDR Idea Recommendation.

Deep Learning · Generative Models and Autoencoders

Xiang Li, Dianbo Liu, Kenji Kawaguchi

Despite the remarkable fidelity of generative models, they frequently suffer from mode collapse. Existing strategies for enhancing diversity predominantly focus on intervening during the generation trajectory. We identify a critical oversight that the standard Gaussian initialization often causes trajectories to collapse into dominant modes because it is agnostic to the guidance potential landscape. In this work, we formulate selecting the initial noise from a *guidance potential posterior*, which effectively re-weights the prior towards diversity-rich regions. To sample from this distribution efficiently, we introduce *Diversity-inducing Initialization* (DivIn), which leverages Langevin dynamics to actively navigate the initialization landscape, steering initial noise away from collapsing regions while anchoring them to the valid data manifold. Our method serves as an inference-time diversity enhancement compatible with both diffusion and flow matching models. Extensive experiments show that DivIn exhibits a superior performance in both class-to-image and text-to-image scenarios. Furthermore, we highlight that as DivIn is orthogonal to trajectory-based methods, combining them significantly expands the diversity-quality Pareto frontier beyond what either achieves in isolation.

Deep Learning · Generative Models and Autoencoders

Shigui Li, Delu Zeng

A fundamental tension exists in the large-step inference of diffusion models via their deterministic probability flow ordinary differential equation (PF-ODE) paths, which we formally identify as the *contractivity trap*: efficient inference favors large step sizes, while stable convergence requires strong contractivity that limits expressiveness. To address this, we propose SteinDiff, an inference-time stabilization framework based on reference-free Stein corrections. Specifically, SteinDiff introduces a geometry-aware correction mechanism that stabilizes PF-ODE inference trajectories. To this end, we contribute closed-form correction estimators via Stein's identity in the continuous-time setting, enabling the method to adapt to local data geometry. We theoretically demonstrate that SteinDiff reduces integration error even when contractivity is violated and establishes its robustness against discretization-induced distributional shifts. Our analysis further reveals that these corrections act as persistent geometric anchors, providing new insights into the stability of SOTA EDM parameterizations. Extensive experiments demonstrate that SteinDiff significantly mitigates mode collapse and improves generative quality in large-step inference.