GenAI4ELab/papercli-papers huggingface dataset:
Hybrid-Collaborative Augmentation and Contrastive Sample Adaptive-Differential Awareness for Robust Attributed Graph Clustering
Authors: TianxiangZhao; Youqing Wang; Jinlu Wang; Jiapu Wang; Mingliang Cui; Junbin Gao; Jipeng Guo
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Due to its powerful capability of self-supervised representation learning and clustering, contrastive attributed graph clustering (CAGC) has achieved great success, which mainly depends on effective data augmentation and contrastive objective setting. However, most CAGC methods utilize edges as auxiliary information to obtain node-level embedding representation and only focus on node-level embedding augmentation. This approach overlooks  edge-level embedding augmentation and the interactions between node-level and edge-level embedding augmentations across various granularity. Moreover, they  often  treat all contrastive sample pairs equally, neglecting the significant differences between hard and easy positive-negative sample pairs, which ultimately limits their discriminative capability. To tackle these issues, a novel robust attributed graph clustering (RAGC), incorporating hybrid-collaborative augmentation (HCA) and contrastive sample adaptive-differential awareness (CSADA), is proposed. First, node-level and edge-level embedding representations and augmentations are simultaneously executed to establish a more comprehensive similarity measurement criterion for subsequent contrastive learning. In turn, the discriminative similarity  further consciously guides edge augmentation. Second, by leveraging pseudo-label information with high confidence, a CSADA strategy is elaborately designed, which adaptively identifies all contrastive sample pairs and differentially treats them by an innovative weight modulation function. The HCA and CSADA modules mutually reinforce each other in a beneficent cycle, thereby enhancing discriminability in representation learning. Comprehensive graph clustering evaluations over six benchmark datasets demonstrate the effectiveness of the proposed RAGC against several state-of-the-art CAGC methods. The code of RAGC could be available at https://github.com/TianxiangZhao0474/RAGC.git.
MetaMind: Modeling Human Social Thoughts with Metacognitive Multi-Agent Systems
Authors: Xuanming Zhang; Yuxuan Chen; Samuel Yeh; Sharon Li
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Human social interactions depend on the ability to infer others' unspoken intentions, emotions, and beliefs—a cognitive skill grounded in the psychological concept of Theory of Mind (ToM). While large language models (LLMs) excel in semantic understanding tasks, they struggle with the ambiguity and contextual nuance inherent in human communication. To bridge this gap, we introduce **MetaMind**, a multi-agent framework inspired by psychological theories of metacognition, designed to emulate human-like social reasoning. MetaMind decomposes social understanding into three collaborative stages: (1) a *Theory-of-Mind Agent* generates hypotheses about user mental states (e.g., intent, emotion), (2) a *Moral Agent* refines these hypotheses using cultural norms and ethical constraints, and (3) a *Response Agent* generates contextually appropriate responses while validating alignment with inferred intent.
Our framework achieves state-of-the-art performance across three challenging benchmarks, with 35.7% improvement in real-world social scenarios and 6.2% gain in ToM reasoning. Notably, it enables LLMs to match human-level performance on key ToM tasks for the first time. Ablation studies confirm the necessity of all components, which showcase the framework’s ability to balance contextual plausibility, social appropriateness, and user adaptation. This work advances AI systems toward human-like social intelligence, with applications in empathetic dialogue and culturally sensitive interactions. Code is available at https://github.com/XMZhangAI/MetaMind.
Structure Matters: Dynamic Policy Gradient
Authors: Sara Klein; Xiangyuan Zhang; Tamer Basar; Simon Weissmann; Leif Döring
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: In this work, we study $\gamma$-discounted infinite-horizon tabular Markov decision processes (MDPs) and introduce a framework called dynamic policy gradient (DynPG). The framework directly integrates dynamic programming with (any) policy gradient method, explicitly leveraging the Markovian property of the environment. DynPG dynamically adjusts the problem horizon during training, decomposing the original infinite-horizon MDP into a sequence of contextual bandit problems. By iteratively solving these contextual bandits, DynPG converges to the stationary optimal policy of the infinite-horizon MDP. To demonstrate the power of DynPG, we establish its non-asymptotic global convergence rate under the tabular softmax  parametrization, focusing on the dependencies on salient but essential parameters of the MDP. By combining classical arguments from dynamic programming with more recent convergence arguments of policy gradient schemes, we prove that softmax DynPG scales polynomially in the effective horizon $(1-\gamma)^{-1}$. Our findings contrast recent exponential lower bound examples for vanilla policy gradient.
Enhancing Zero-Shot Black-Box Optimization via Pretrained Models with Efficient Population Modeling, Interaction, and Stable Gradient Approximation
Authors: Muqi Han; Xiaobin Li; Kai Wu; Xiaoyu Zhang; Handing Wang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Zero-shot optimization aims to achieve both generalization and performance gains on solving previously unseen black-box optimization problems over SOTA methods without task-specific tuning. Pre-trained optimization models (POMs) address this challenge by learning a general mapping from task features to optimization strategies, enabling direct deployment on new tasks.

In this paper, we identify three essential components that determine the effectiveness of POMs: (1) task feature modeling, which captures structural properties of optimization problems; (2) optimization strategy representation, which defines how new candidate solutions are generated; and (3) the feature-to-strategy mapping mechanism learned during pre-training. However, existing POMs often suffer from weak feature representations, rigid strategy modeling, and unstable training.

To address these limitations, we propose EPOM, an enhanced framework for pre-trained optimization. EPOM enriches task representations using a cross-attention-based tokenizer, improves strategy diversity through deformable attention, and stabilizes training by replacing non-differentiable operations with a differentiable crossover mechanism. Together, these enhancements yield better generalization, faster convergence, and more reliable performance in zero-shot black-box optimization.
Parallel Scaling Law for Language Models
Authors: Mouxiang Chen; Binyuan Hui; Zeyu Cui; Jiaxi Yang; Dayiheng Liu; Jianling Sun; Junyang Lin; Zhongxin Liu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: It is commonly believed that scaling language models should commit a significant space or time cost, by increasing the parameters (parameter scaling) or output tokens (inference-time scaling). We introduce another and more inference-efficient scaling paradigm: increasing the model's parallel computation during both training and inference time. We apply $P$ diverse and learnable transformations to the input, execute forward passes of the model in parallel, and dynamically aggregate the $P$ outputs. This method, namely parallel scaling (ParScale), scales parallel computation by reusing existing parameters and can be applied to any model structure, optimization procedure, data, or task. We theoretically propose a new scaling law and validate it through large-scale pre-training, which shows that a model with $P$ parallel streams is similar to scaling the parameters by $\mathcal O(\log P)$ while showing superior inference efficiency. For example, ParScale can use up to 22$\times$ less memory increase and 6$\times$ less latency increase compared to parameter scaling that achieves the same performance improvement. It can also recycle an off-the-shelf pre-trained model into a parallelly scaled one by post-training on a small amount of tokens, further reducing the training budget. The new scaling law we discovered potentially facilitates the deployment of more powerful models in low-resource scenarios, and provides an alternative perspective for the role of computation in machine learning. Our code and 67 trained model checkpoints are publicly available at https://github.com/QwenLM/ParScale and https://huggingface.co/ParScale.
ATLAS: Autoformalizing Theorems through Lifting, Augmentation, and Synthesis of Data
Authors: Xiaoyang Liu; Kangjie Bao; Jiashuo Zhang; Yunqi Liu; Yu Chen; Yuntian Liu; Yang Jiao; Tao Luo
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Autoformalization, the automatic translation of mathematical content from natural language into machine-verifiable formal languages, has seen significant progress driven by advances in large language models (LLMs). Nonetheless, a primary barrier to further improvements is the limited availability of parallel corpora that map informal mathematical text to its formal counterpart. To address this limitation, we propose ATLAS (Autoformalizing Theorems through Lifting, Augmentation, and Synthesis of Data), a novel data generation framework designed to produce large-scale, high-quality parallel corpora of theorem statements. Distinct from prior approaches, ATLAS begins with a concept repository, accelerates the improvement of the student model through expert iteration combined with knowledge distillation, and introduces two novel augmentation strategies that exploit the structural characteristics of formal languages. Running the proposed ATLAS framework for 10 iterations, we construct an undergraduate-level dataset of 117k theorem statements and develop the ATLAS Translator by fine-tuning Llama3.1-8B-Instruct with LoRA. This model establishes a new state of the art, demonstrating statistically significant improvements over both the Herald Translator and the Kimina-Autoformalizer across all benchmarks (p<0.05, two-sided t-test). Furthermore, we demonstrate that the full-parameter fine-tuning of a stronger base model on the ATLAS dataset leads to superior performance. The datasets, model, and code are available at https://github.com/XiaoyangLiu-sjtu/ATLAS.
Enhancing CLIP Robustness via Cross-Modality Alignment
Authors: Xingyu Zhu; Beier Zhu; Shuo Wang; Kesen Zhao; Hanwang Zhang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Vision-language models (VLMs) such as CLIP demonstrate strong generalization in zero-shot classification but remain highly vulnerable to adversarial perturbations. Existing methods primarily focus on adversarial fine-tuning or prompt optimization, they often overlook the gaps in CLIP’s encoded features, which is shown as the text and image features lie far apart from each other. This misalignment is significantly amplified under adversarial perturbations, leading to severe degradation in classification performance. To address this problem, we propose **C**r**O**ss-moda**L**ity **A**lignment, dubbed **COLA**, an optimal transport-based framework that explicitly addresses adversarial misalignment by restoring both global image-text alignment and local structural consistency in the feature space. (1) COLA first projects adversarial image embeddings onto a subspace spanned by class text features, effectively filtering out non-semantic distortions while preserving discriminative information.  (2) It then models images and texts as discrete distributions over multiple augmented views and refines their alignment via OT, with the subspace projection seamlessly integrated into the cost computation. This design ensures stable cross-modal alignment even under adversarial conditions. COLA is training-free and compatible with existing fine-tuned models.

Extensive evaluations across 14 zero-shot classification benchmarks demonstrate the effectiveness of COLA, especially with an average improvement of 6.7% on ImageNet and its variants under PGD adversarial attacks, while maintaining high accuracy on clean samples.
Effortless, Simulation-Efficient Bayesian Inference using Tabular Foundation Models
Authors: Julius Vetter; Manuel Gloeckler; Daniel Gedon; Jakob H. Macke
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Simulation-based inference (SBI) offers a flexible and general approach to performing Bayesian inference: In SBI, a neural network is trained on synthetic data simulated from a model and used to rapidly infer posterior distributions for observed data. 
A key goal for SBI is to achieve accurate inference with as few simulations as possible, especially for expensive simulators. 
In this work, we address this challenge by repurposing recent probabilistic foundation models for tabular data: We show how tabular foundation models---specifically TabPFN---can be used as pre-trained autoregressive conditional density estimators for SBI. 
We propose Neural Posterior Estimation with Prior-data Fitted Networks (NPE-PFN) and show that it is competitive with current SBI approaches in terms of accuracy for both benchmark tasks and two complex scientific inverse problems. Crucially, it often substantially outperforms them in terms of simulation efficiency, sometimes requiring orders of magnitude fewer simulations. NPE-PFN eliminates the need for selecting and training an inference network and tuning its hyperparameters. We also show that it exhibits superior robustness to model misspecification and can be scaled to simulation budgets that exceed the context size limit of TabPFN.
NPE-PFN provides a new direction for SBI, where training-free, general-purpose inference models offer efficient, easy-to-use, and flexible solutions for a wide range of stochastic inverse problems.
Rethinking Entropy in Test-Time Adaptation: The Missing Piece from Energy Duality
Authors: Mincheol Park; Heeji Won; Won Woo Ro; Suhyun Kim
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Test-time adaptation (TTA) aims to preserve model performance under distribution shifts. Yet, most existing methods rely on entropy minimization for confident predictions. This paper re-examines the sufficiency of entropy minimization by analyzing its dual relationship with energy. We view energy as a proxy for likelihood, where lower energy indicates higher observability under the learned distribution. We uncover that entropy and energy are tightly associated, controlled by the model’s confidence or ambiguity, and show that simultaneous reduction of both is essential. Importantly, we reveal that entropy minimization alone neither ensures energy reduction nor supports reliable likelihood estimation, and it requires explicit discriminative guidance to reach zero entropy. To combat these problems, we propose a twofold solution. First, we introduce a likelihood-based objective grounded in energy-based models, which reshape the energy landscape to favor test samples. For stable and scalable training, we adopt sliced score matching—a sampling-free, Hessian-insensitive approximation of Fisher divergence. Second, we enhance entropy minimization with a cross-entropy that treats the predicted class as a target to promote discriminability. By counterbalancing entropy and energy through the solution of multi-objective optimization, our unified TTA, ReTTA, outperforms existing entropy- or energy-based approaches across diverse distribution shifts.
Connecting Jensen–Shannon and Kullback–Leibler Divergences: A New Bound for Representation Learning
Authors: Reuben Dorent; Polina Golland; William M Wells
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Mutual Information (MI) is a fundamental measure of statistical dependence widely used in representation learning. While direct optimization of MI via its definition as a Kullback-Leibler divergence (KLD) is often
intractable, many recent methods have instead maximized alternative dependence measures, most notably, the Jensen-Shannon divergence (JSD) between joint and product of marginal distributions via discriminative losses. However, the connection between these surrogate objectives and MI remains poorly understood. In this work, we bridge this gap by deriving a new, tight, and tractable lower bound on KLD as a function of JSD in the general case. By specializing this bound to joint and marginal distributions, we demonstrate
that maximizing the JSD-based information increases a guaranteed lower bound on mutual information. Furthermore, we revisit the practical implementation of JSD-based objectives and observe that minimizing the cross-entropy loss of a binary classifier trained to distinguish joint from marginal pairs recovers a known variational lower bound on the JSD.
Extensive experiments demonstrate that our lower bound is tight when applied to MI estimation. We compared our lower bound to state-of-the-art neural estimators of variational lower bound across a range of established reference scenarios. Our lower bound estimator consistently provides a stable, low-variance estimate of a tight lower bound on MI. We also demonstrate its practical usefulness  in the context of the Information Bottleneck framework.
Taken together, our results provide new theoretical justifications and strong empirical evidence for using discriminative learning in MI-based representation learning.
Pancakes: Consistent Multi-Protocol Image Segmentation Across Biomedical Domains
Authors: Marianne Rakic; Siyu Gai; Etienne Chollet; John Guttag; Adrian V Dalca
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: A single biomedical image can be segmented in multiple valid ways, depending on the application. For instance, a brain MRI may be divided according to tissue types, vascular territories, broad anatomical regions, fine-grained anatomy, or pathology. Existing automatic segmentation models typically either (1) support only a single protocol---the one they were trained on---or (2) require labor-intensive prompting to specify the desired segmentation. We introduce _Pancakes_, a framework that, given a new image from a previously unseen domain, automatically generates multi-label segmentation maps for _multiple_ plausible protocols, while maintaining semantic consistency across related images. In extensive experiments across seven previously unseen domains, _Pancakes_ consistently outperforms strong baselines, often by a wide margin, demonstrating its ability to produce diverse yet coherent segmentation maps on unseen domains.
Point4Bit: Post Training 4-bit Quantization for Point Cloud 3D Detection
Authors: Jianyu Wang; Yu Wang; Shengjie Zhao; Sifan Zhou
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Voxel-based 3D object detectors have achieved remarkable performance in point cloud perception, yet their high computational and memory demands pose significant challenges for deployment on resource-constrained edge devices. Post-training quantization (PTQ) provides a practical means to compress models and accelerate inference; however, existing PTQ methods for point cloud detection are typically limited to INT8 and lack support for lower-bit formats such as INT4, which restricts their deployment potential. In this paper, we present Point4bit, the first general 4-bit PTQ framework tailored for voxel-based 3D object detectors. To tackle challenges in low-bit quantization, we propose two key techniques: (1) Foreground-aware Piecewise Activation Quantization (FA-PAQ), which leverages foreground structural cues to improve the quantization of sparse activations; and (2) Gradient-guided Key Weight Quantization (G-KWQ), which preserves task-critical weights through gradient-based analysis to reduce quantization-induced degradation. Extensive experiments demonstrate that Point4bit achieves INT4 quantization with minimal accuracy loss with less than 1.5\% accuracy drop. Moreover, we validate its generalization ability on point cloud classification and segmentation tasks, demonstrating broad applicability. Our method further advances the bit-width limitation of point cloud quantization to 4 bits, demonstrating strong potential for efficient deployment on resource-constrained edge devices.
Faster Generic Identification in Tree-Shaped Structural Causal Models
Authors: Yasmine Briefs; Markus Bläser
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Linear structural causal models (SCMs) are used to analyze the relationships between random variables. Directed edges represent direct causal effects and bidirected edges represent hidden confounders. Generically identifying the causal parameters from observed correlations between the random variables is an open problem in causality. Gupta and Bl\"aser solve the case of SCMs in which the directed edges form a tree by giving a randomized polynomial time algorithm with running time $O(n^6)$. We present an improved algorithm with running time $O(n^3 \log^2 n)$ and demonstrate its feasibility by providing an implementation that outperforms existing state-of-the-art implementations.
Non-stationary Bandit Convex Optimization: A Comprehensive Study
Authors: Xiaoqi Liu; Dorian Baudry; Julian Zimmert; Patrick Rebeschini; Arya Akhavan
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Bandit Convex Optimization is a fundamental class of sequential decision-making problems, where the learner selects actions from a continuous domain and observes a loss (but not its gradient) at only one point per round. We study this problem in non-stationary environments, and aim to minimize the regret under three standard measures of non-stationarity: the number of switches $S$ in the comparator sequence, the total variation $\Delta$ of the loss functions, and the path-length $P$ of the comparator sequence. We propose a polynomial-time algorithm, Tilted Exponentially Weighted Average with Sleeping Experts (TEWA-SE), which adapts the sleeping experts framework from online convex optimization to the bandit setting. For strongly convex losses, we prove that TEWA-SE is minimax-optimal with respect to known $S$ and $\Delta$ by establishing matching upper and lower bounds. By equipping TEWA-SE with the Bandit-over-Bandit framework, we extend our analysis to environments with unknown non-stationarity measures. For general convex losses, we introduce a second algorithm, clipped Exploration by Optimization (cExO), based on exponential weights over a discretized action space. While not polynomial-time computable, this method achieves minimax-optimal regret with respect to known $S$ and $\Delta$, and improves on the best existing bounds with respect to $P$.
Fast Rate Bounds for Multi-Task and Meta-Learning with Different Sample Sizes
Authors: Hossein Zakerinia; Christoph H. Lampert
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We present new fast-rate PAC-Bayesian generalization bounds for multi-task and meta-learning in the unbalanced setting, i.e. when the tasks have training sets of different sizes, as is typically the case in real-world scenarios. Previously, only standard-rate bounds were known for this situation, while fast-rate bounds were limited to the setting where all training sets are of equal size. Our new bounds are numerically computable as well as interpretable, and we demonstrate their flexibility in handling a number of cases where they give stronger guarantees than previous bounds. Besides the bounds themselves, we also make conceptual contributions: we demonstrate that the unbalanced multi-task setting has different statistical properties than the balanced situation, specifically that proofs from the balanced situation do not carry over to the unbalanced setting. Additionally, we shed light on the fact that the unbalanced situation allows two meaningful definitions of multi-task risk, depending on whether all tasks should be considered equally important or if sample-rich tasks should receive more weight than sample-poor ones.