GenAI4ELab/papercli-papers huggingface dataset:
Scalable Evaluation and Neural Models for Compositional Generalization
Authors: Giacomo Camposampiero; Pietro Barbiero; Michael Hersche; Roger Wattenhofer; Abbas Rahimi
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Compositional generalization—a key open challenge in modern machine learning—requires models to predict unknown combinations of known concepts. However, assessing compositional generalization remains a fundamental challenge due to the lack of standardized evaluation protocols and the limitations of current benchmarks, which often favor efficiency over rigor. At the same time, general-purpose vision architectures lack the necessary inductive biases, and existing approaches to endow them compromise scalability. As a remedy, this paper introduces: 1) a rigorous evaluation framework that unifies and extends previous approaches while reducing computational requirements from combinatorial to constant; 2) an extensive and modern evaluation on the status of compositional generalization in supervised vision backbones, training more than 5000 models; 3) Attribute Invariant Networks, a class of models establishing a new Pareto frontier in compositional generalization, achieving a 23.43% accuracy improvement over baselines while reducing parameter overhead from 600% to 16% compared to fully disentangled counterparts.
MuRating: A High Quality Data Selecting Approach to Multilingual Large Language Model Pretraining
Authors: Zhixun Chen; Ping Guo; Wenhan Han; Yifan Zhang; BINBINLIU; Haobin Lin; Fengze Liu; Yan Zhao; Bingni Zhang; Taifeng Wang; Yin Zheng; Trevor Cohn; Meng Fang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Data quality is a critical driver of large language model performance, yet existing model-based selection methods focus almost exclusively on English, neglecting other languages that are essential in the training mix for multilingual LLMs. We introduce MuRating, a scalable framework that transfers high-quality English data-quality signals into a multilingual autorater, capable of handling 17 languages. MuRating aggregates multiple English autoraters via pairwise comparisons to learn unified document quality scores, then projects these judgments through translation to train a multilingual evaluator on monolingual, cross-lingual, and parallel text pairs. Applied to web data, MuRating selects balanced subsets of English and multilingual content to pretrain LLaMA-architecture models of 1.2B and 7B parameters. Compared to strong baselines, including QuRater, FineWeb2-HQ, AskLLM, DCLM, our approach increases average accuracy on both English benchmarks and multilingual evaluations. Extensive analyses further validate that pairwise training provides greater stability and robustness than pointwise scoring, underscoring the effectiveness of MuRating as a general multilingual data-selection framework.
Diffusion Adaptive Text Embedding for Text-to-Image Diffusion Models
Authors: Byeonghu Na; Minsang Park; Gyuwon Sim; Donghyeok Shin; HeeSun Bae; Mina Kang; Se Jung Kwon; Wanmo Kang; Il-chul Moon
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Text-to-image diffusion models rely on text embeddings from a pre-trained text encoder, but these embeddings remain fixed across all diffusion timesteps, limiting their adaptability to the generative process. We propose Diffusion Adaptive Text Embedding (DATE), which dynamically updates text embeddings at each diffusion timestep based on intermediate perturbed data. We formulate an optimization problem and derive an update rule that refines the text embeddings at each sampling step to improve alignment and preference between the mean predicted image and the text. This allows DATE to dynamically adapts the text conditions to the reverse-diffused images throughout diffusion sampling without requiring additional model training. Through theoretical analysis and empirical results, we show that DATE maintains the generative capability of the model while providing superior text-image alignment over fixed text embeddings across various tasks, including multi-concept generation and text-guided image editing. Our code is available at https://github.com/aailab-kaist/DATE.
Activation Control for Efficiently Eliciting Long Chain-of-thought Ability of Language Models
Authors: Zekai Zhao; Qi Liu; Kun Zhou; Zihan Liu; Yifei Shao; Zhiting Hu; Biwei Huang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Despite the remarkable reasoning performance, eliciting the long chain-of-thought(CoT) ability in large language models(LLMs) typically requires costly reinforcement learning or supervised fine-tuning on high-quality distilled data. We investigate the internal mechanisms behind this capability and show that a small set of high-impact activations in the last few layers, greatly govern the long-form reasoning attributes, e.g. output length and self-reflection. Through simply amplifying these activations and adding ``wait'' tokens, the long CoT ability can be invoked without training, leading to significantly increased self-reflection rate and accuracy. In addition, we also find that the activation changes follow predictable trajectories, i.e. a sharp rise after special tokens and a subsequent exponential decay. Based on these insights, we introduce a general training-free activation control technique. It utilizes a few contrastive examples to identify the relevant activations, and then incorporates simple analytic functions to adjust their values at inference time to elicit long CoTs. Extensive experiments have verified the effectiveness of our methods in efficiently eliciting the long CoT ability of LLMs and improving the performance. Besides, we further propose a parameter-efficient fine-tuning method that trains only the last-layer activation amplification module and a few LoRA layers, outperforming LoRA on reasoning benchmarks with much fewer parameters. Our code and data will be fully public released.
LinEAS: End-to-end Learning of Activation Steering with a Distributional Loss
Authors: Pau Rodriguez; Michal Klein; Eleonora Gualdoni; Valentino Maiorca; Arno Blaas; Luca Zappella; marco cuturi; Xavier Suau
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The growing use of generative models in daily life calls for efficient mechanisms to control their generation, to e.g. produce safe content or provide users with tools to explore style changes. Ideally, such mechanisms should require low volume of unpaired data (\ie without explicit preference), and should be cheap, both at train and inference time, while preserving output quality. Recent research has shown that such mechanisms can be obtained by intervening exclusively on model activations, with the goal of correcting distributional differences between activations seen when using prompts from a source vs. a target set (e.g. toxic and non-toxic sentences). While cheap, these fast methods are inherently crude: their maps are tuned locally, not accounting for their impact on downstream layers, resulting in interventions that cause unintended shifts when used out-of-sample. We propose in this work linear end-to-end activation steering (LinEAS), an approach trained with a global loss that accounts simultaneously for all layer-wise distributional shifts. In addition to being more robust, the loss used to train LinEAS can be regularized with sparsifying norms, which can automatically carry out neuron selection. LinEAS only requires a handful of unpaired samples to be effective, and beats similar baselines on toxicity mitigation in language models, becoming competitive with oracle-dependent methods that have access to strong supervision. LinEAS is modality-agnostic and we empirically find that it outperforms existing activation steering methods at mitigating and including new concepts at the output of single-step text-to-image generation models.
PDEfuncta: Spectrally-Aware Neural Representation for PDE Solution Modeling
Authors: Minju Jo; Woojin Cho; Uvini Balasuriya Mudiyanselage; Seungjun Lee; Noseong Park; Kookjin Lee
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Scientific machine learning often involves representing complex solution fields that exhibit high-frequency features such as sharp transitions, fine-scale oscillations, and localized structures. While implicit neural representations (INRs) have shown promise for continuous function modeling, capturing such high-frequency behavior remains a challenge—especially when modeling multiple solution fields with a shared network. Prior work addressing spectral bias in INRs has primarily focused on single-instance settings, limiting scalability and generalization. In this work, we propose Global Fourier Modulation (GFM), a novel modulation technique that injects high-frequency information at each layer of the INR through Fourier-based reparameterization. This enables compact and accurate representation of multiple solution fields using low-dimensional latent vectors. Building upon GFM, we introduce PDEfuncta, a meta-learning framework designed to learn multi-modal solution fields and support generalization to new tasks. Through empirical studies on diverse scientific problems, we demonstrate that our method not only improves representational quality but also shows potential for forward and inverse inference tasks without the need for retraining.
Minimizing False-Positive Attributions in Explanations of Non-Linear Models
Authors: Anders Gjølbye; Stefan Haufe; Lars Kai Hansen
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Suppressor variables can influence model predictions without being dependent on the target outcome, and they pose a significant challenge for Explainable AI (XAI) methods. These variables may cause false-positive feature attributions, undermining the utility of explanations. Although effective remedies exist for linear models, their extension to non-linear models and instance-based explanations has remained limited. We introduce PatternLocal, a novel XAI technique that addresses this gap. PatternLocal begins with a locally linear surrogate, e.g., LIME, KernelSHAP, or gradient-based methods, and transforms the resulting discriminative model weights into a generative representation, thereby suppressing the influence of suppressor variables while preserving local fidelity. In extensive hyperparameter optimization on the XAI-TRIS benchmark, PatternLocal consistently outperformed other XAI methods and reduced false-positive attributions when explaining non-linear tasks, thereby enabling more reliable and actionable insights. We further evaluate PatternLocal on an EEG motor imagery dataset, demonstrating physiologically plausible explanations.
Rethinking PCA Through Duality
Authors: Jan Quan; Johan Suykens; Panagiotis Patrinos
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Motivated by the recently shown connection between self-attention and (kernel) principal component analysis (PCA), we revisit the fundamentals of PCA. Using the difference-of-convex (DC) framework, we present several novel formulations and provide new theoretical insights. In particular, we show the kernelizability and out-of-sample applicability for a PCA-like family of problems. Moreover, we uncover that simultaneous iteration, which is connected to the classical QR algorithm, is an instance of the difference-of-convex algorithm (DCA), offering an optimization perspective on this longstanding method. Further, we describe new algorithms for PCA and empirically compare them with state-of-the-art methods. Lastly, we introduce a kernelizable dual formulation for a robust variant of PCA that minimizes the $l_1$-deviation of the reconstruction errors.
A Markov Decision Process for Variable Selection in Branch & Bound
Authors: Paul STRANG; Zacharie ALES; Côme Bissuel; Olivier Juan; Safia Kedad-Sidhoum; Emmanuel Rachelson
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Mixed-Integer Linear Programming (MILP) is a powerful framework used to address a wide range of NP-hard combinatorial optimization problems, often solved by Branch and bound (B&B). A key factor influencing the performance of B&B solvers is the variable selection heuristic governing branching decisions. Recent contributions have sought to adapt reinforcement learning (RL) algorithms to the B&B setting to learn optimal branching policies, through Markov Decision Processes (MDP) inspired formulations, and ad hoc convergence theorems and algorithms. In this work, we introduce BBMDP, a principled vanilla MDP formulation for variable selection in B&B, allowing to leverage a broad range of RL algorithms for the purpose of learning optimal B&B heuristics. Computational experiments validate our model empirically, as our branching agent outperforms prior state-of-the-art RL agents on four standard MILP benchmarks.
Disentangled Cross-Modal Representation Learning with Enhanced Mutual Supervision
Authors: Lu Gao; Wenlan Chen; Daoyuan Wang; Fei Guo; Cheng Liang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Cross-modal representation learning aims to extract semantically aligned representations from heterogeneous modalities such as images and text. Existing multimodal VAE-based models often suffer from limited capability to align heterogeneous modalities or lack sufficient structural constraints to clearly separate the modality-specific and shared factors. In this work, we propose a novel framework, termed **D**isentangled **C**ross-**M**odal Representation Learning with **E**nhanced **M**utual Supervision (DCMEM). Specifically, our model disentangles the common and distinct information across modalities and regularizes the shared representation learned from each modality in a mutually supervised manner. Moreover, we incorporate the information bottleneck principle into our model to ensure that the shared and modality-specific factors encode exclusive yet complementary information. Notably, our model is designed to be trainable on both complete and partial multimodal datasets with a valid Evidence Lower Bound. Extensive experimental results demonstrate significant improvements of our model over existing methods on various tasks including cross-modal generation, clustering, and classification.
Bandit Guided Submodular Curriculum for Adaptive Subset Selection
Authors: Prateek Chanda; Prayas Agrawal; Saral Sureka; Lokesh Reddy Polu; Atharv Kshirsagar; Ganesh Ramakrishnan
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Traditional curriculum learning proceeds from easy to hard samples, yet defining a reliable notion of difficulty remains elusive. Prior work has used submodular functions to induce difficulty scores in curriculum learning. We reinterpret adaptive subset selection and formulate it as a multi-armed bandit problem, where each arm corresponds to a submodular function guiding sample selection. We introduce OnlineSubmod, a novel online greedy policy that optimizes a utility-driven reward and provably achieves no-regret performance under various sampling regimes. Empirically, OnlineSubmod outperforms both traditional curriculum learning and bi-level optimization approaches across vision and language datasets, showing superior accuracy-efficiency tradeoffs. More broadly, we show that validation-driven reward metrics offer a principled way to guide the curriculum schedule. Our code is publicly available at GitHub : https://github.com/efficiency-learning/banditsubmod/.
FastDINOv2: Frequency Based Curriculum Learning Improves Robustness and Training Speed
Authors: Jiaqi Zhang; Juntuo Wang; Zhixin Sun; John Zou; Randall Balestriero
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Large-scale vision foundation models such as DINOv2 boast impressive performances by leveraging massive architectures and training datasets. The expense of large-scale pre-training puts such research out of reach for many, hence limiting scientific advancements. We thus propose a novel pretraining strategy for DINOv2 that simultaneously accelerates convergence–and strengthens robustness to common corruptions as a by-product. Our approach involves a frequency filtering curriculum–low-frequency being seen first–and the Gaussian noise patching augmentation. Applied to a ViT-B/16 backbone trained on ImageNet-1K, while pre-training time is reduced by 1.6×–from 16.64 to 10.32 NVIDIA L40S days–and FLOPs by 2.25×, our method still achieves matching robustness in corruption benchmarks (ImageNet-C) and maintains competitive linear probing performance compared with the DINOv2 baseline. This dual benefit of efficiency and robustness makes large-scale self-supervised foundation modeling more attainable, while opening the door to novel exploration around data curriculum and augmentation as a means to improve self-supervised learning models robustness.
Direct Fisher Score Estimation for Likelihood Maximization
Authors: Sherman Khoo; Yakun Wang; Song Liu; Mark Beaumont
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: We study the problem of likelihood maximization when the likelihood function is intractable but model simulations are readily available. We propose a sequential, gradient-based optimization method that directly models the Fisher score based on a local score matching technique which uses simulations from a localized region around each parameter iterate. By employing a linear parameterization for the surrogate score model, our technique admits a closed-form, least-squares solution. This approach yields a fast, flexible, and efficient approximation to the Fisher score, effectively smoothing the likelihood objective and mitigating the challenges posed by complex likelihood landscapes. We provide theoretical guarantees for our score estimator, including bounds on the bias introduced by the smoothing. Empirical results on a range of synthetic and real-world problems demonstrate the superior performance of our method compared to existing benchmarks.
Training-Free Safe Text Embedding Guidance for Text-to-Image Diffusion Models
Authors: Byeonghu Na; Mina Kang; Jiseok Kwak; Minsang Park; Jiwoo Shin; SeJoon Jun; Gayoung Lee; Jin-Hwa Kim; Il-chul Moon
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Text-to-image models have recently made significant advances in generating realistic and semantically coherent images, driven by advanced diffusion models and large-scale web-crawled datasets. However, these datasets often contain inappropriate or biased content, raising concerns about the generation of harmful outputs when provided with malicious text prompts. We propose Safe Text embedding Guidance (STG), a training-free approach to improve the safety of diffusion models by guiding the text embeddings during sampling. STG adjusts the text embeddings based on a safety function evaluated on the expected final denoised image, allowing the model to generate safer outputs without additional training. Theoretically, we show that STG aligns the underlying model distribution with safety constraints, thereby achieving safer outputs while minimally affecting generation quality. Experiments on various safety scenarios, including nudity, violence, and artist-style removal, show that STG consistently outperforms both training-based and training-free baselines in removing unsafe content while preserving the core semantic intent of input prompts. Our code is available at https://github.com/aailab-kaist/STG.
Path-Enhanced Contrastive Learning for Recommendation
Authors: Haoran Sun; Fei Xiong; Yuanzhe Hu; Liang Wang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Collaborative filtering (CF) methods are now facing the challenge of data sparsity in recommender systems. In order to reduce the effect of data sparsity, researchers proposed contrastive learning methods to extract self-supervised signals from raw data. Contrastive learning methods address this problem by graph augmentation and maximizing the consistency of node representations between different augmented graphs. However, these methods tends to unintentionally distance the target node from its path nodes on the interaction path, thus limiting its effectiveness. In this regard, we propose a solution that uses paths as samples in the contrastive loss function. In order to obtain the path samples, we design a path sampling method. In addition to the contrast of the relationship between the target node and the nodes within the path (intra-path contrast), we also designed a method of contrasting the relationship between the paths (inter-path contrast) to better pull the target node and its path nodes closer to each other. We use Simplifying and Powering Graph Convolution Network (LightGCN) as the basis and combine with a new path-enhanced graph approach proposed for graph augmentation. It effectively improves the performance of recommendation models. Our proposed Path Enhanced Contrastive Loss (PECL) model replaces the common contrastive loss function with our novel loss function, showing significant performance improvement. Experiments on three real-world datasets demonstrate the effectiveness of our model.
T-REGS: Minimum Spanning Tree Regularization for Self-Supervised Learning
Authors: Julie Mordacq; David Loiseaux; Vicky Kalogeiton; Steve Oudot
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Self-supervised learning (SSL) has emerged as a powerful paradigm for learning representations without labeled data, often by enforcing invariance to input transformations such as rotations or blurring.
Recent studies have highlighted two pivotal properties for effective representations: (i) avoiding dimensional collapse-where the learned features occupy only a low-dimensional subspace, and (ii) enhancing uniformity of the induced distribution.
In this work, we introduce T-REGS, a simple regularization framework for SSL based on the length of the Minimum Spanning Tree (MST) over the learned representation.
We provide theoretical analysis demonstrating that T-REGS simultaneously mitigates dimensional collapse and promotes distribution uniformity on arbitrary compact Riemannian manifolds.
Several experiments on synthetic data and on classical SSL benchmarks validate the effectiveness of our approach at enhancing representation quality.
Learning conformational ensembles of proteins based on backbone geometry
Authors: Nicolas Wolf; Leif Seute; Vsevolod Viliuga; Simon Wagner; Jan Stühmer; Frauke Gräter
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Deep generative models have recently been proposed for sampling protein conformations from the Boltzmann distribution, as an alternative to often prohibitively expensive Molecular Dynamics simulations. However, current state-of-the-art approaches rely on fine-tuning pre-trained folding models and evolutionary sequence information, limiting their applicability and efficiency, and introducing potential biases. In this work, we propose a flow matching model for sampling protein conformations based solely on backbone geometry - BBFlow. We introduce a geometric encoding of the backbone equilibrium structure as input and propose to condition not only the flow but also the prior distribution on the respective equilibrium structure, eliminating the need for evolutionary information. The resulting model is orders of magnitudes faster than current state-of-the-art approaches at comparable accuracy, is transferable to multi-chain proteins, and can be trained from scratch in a few GPU days. In our experiments, we demonstrate that the proposed model achieves competitive performance with reduced inference time, across not only an established benchmark of naturally occurring proteins but also de novo proteins, for which evolutionary information is scarce or absent. BBFlow is available at https://github.com/graeter-group/bbflow.