GenAI4ELab/papercli-papers huggingface dataset:
Efficient Multimodal Dataset Distillation via Generative Models
Authors: Zhenghao Zhao; Haoxuan Wang; Junyi Wu; Yuzhang Shang; Gaowen Liu; Yan Yan
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Dataset distillation aims to synthesize a small dataset from a large dataset, enabling the model trained on it to perform well on the original dataset. With the blooming of large language models and multimodal large language models, the importance of multimodal datasets, particularly image-text datasets, has grown significantly. However, existing multimodal dataset distillation methods are constrained by the Matching Training Trajectories algorithm, which significantly increases the computing resource requirement, and takes days to process the distillation. In this work, we introduce EDGE, a generative distillation method for efficient multimodal dataset distillation. Specifically, we identify two key challenges of distilling multimodal datasets with generative models: 1) The lack of correlation between generated images and captions. 2) The lack of diversity among generated samples.
To address the aforementioned issues, we propose a novel generative model training workflow with a bi-directional contrastive loss and a diversity loss. Furthermore, we propose a caption synthesis strategy to further improve text-to-image retrieval performance by introducing more text information.  Our method is evaluated on Flickr30K, COCO, and CC3M datasets, demonstrating superior performance and efficiency compared to existing approaches. Notably, our method achieves results 18$\times$ faster than the state-of-the-art method. Our code will be made public at https://github.com/ichbill/EDGE.
Random Search Neural Networks for Efficient and Expressive Graph Learning
Authors: Michael Ito; Danai Koutra; Jenna Wiens
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Random walk neural networks (RWNNs) have emerged as a promising approach for graph representation learning, leveraging recent advances in sequence models to process random walks. However, under realistic sampling constraints, RWNNs often fail to capture global structure even in small graphs due to incomplete node and edge coverage, limiting their expressivity. To address this, we propose \textit{random search neural networks} (RSNNs), which operate on random searches, each of which guarantees full node coverage. Theoretically, we demonstrate that in sparse graphs, only $O(\log |V|)$ searches are needed to achieve full edge coverage, substantially reducing sampling complexity compared to the $O(|V|)$ walks required by RWNNs (assuming walk lengths scale with graph size). Furthermore, when paired with universal sequence models, RSNNs are universal approximators. We lastly show RSNNs are probabilistically invariant to graph isomorphisms, ensuring their expectation is an isomorphism-invariant graph function. Empirically, RSNNs consistently outperform RWNNs on molecular and protein benchmarks, achieving comparable or superior performance with up to 16$\times$ fewer sampled sequences. Our work bridges theoretical and practical advances in random walk based approaches, offering an efficient and expressive framework for learning on sparse graphs.
AutoVLA: A Vision-Language-Action Model for End-to-End Autonomous Driving with Adaptive Reasoning and Reinforcement Fine-Tuning
Authors: Zewei Zhou; Tianhui Cai; Seth Z. Zhao; Yun Zhang; Zhiyu Huang; Bolei Zhou; Jiaqi Ma
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Recent advancements in Vision-Language-Action (VLA) models have shown promise for end-to-end autonomous driving by leveraging world knowledge and reasoning capabilities. However, current VLA models often struggle with physically infeasible action outputs, complex model structures, or unnecessarily long reasoning. In this paper, we propose AutoVLA, a novel VLA model that unifies reasoning and action generation within a single autoregressive generation model for end-to-end autonomous driving. AutoVLA performs semantic reasoning and trajectory planning directly from raw visual inputs and language instructions. We tokenize continuous trajectories into discrete, feasible actions, enabling direct integration into the language model. For training, we employ supervised fine-tuning to equip the model with dual thinking modes: fast thinking (trajectory-only) and slow thinking (enhanced with chain-of-thought reasoning). To further enhance planning performance and efficiency, we introduce a reinforcement fine-tuning method based on Group Relative Policy Optimization (GRPO), reducing unnecessary reasoning in straightforward scenarios. Extensive experiments across real-world and simulated datasets and benchmarks, including nuPlan, nuScenes, Waymo, and CARLA, demonstrate the competitive performance of AutoVLA in both open-loop and closed-loop settings. Qualitative results showcase the adaptive reasoning and accurate planning capabilities of AutoVLA in diverse scenarios.
CellCLIP - Learning Perturbation Effects in Cell Painting via Text-Guided Contrastive Learning
Authors: MingYu Lu; Ethan Weinberger; Chanwoo Kim; Su-In Lee
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: High-content screening (HCS) assays based on high-throughput microscopy techniques such as Cell Painting have enabled the interrogation of cells' morphological responses to perturbations at an unprecedented scale. The collection of such data promises to facilitate a better understanding of the relationships between different perturbations and their effects on cellular state. Towards achieving this goal, recent advances in cross-modal contrastive learning could, in theory, be leveraged to learn a unified latent space that aligns perturbations with their corresponding morphological effects. However, the application of such methods to HCS data is not straightforward due to substantial differences in the semantics of Cell Painting images compared to natural images, and the difficulty of representing different classes of perturbations (e.g. small molecule vs CRISPR gene knockout) in a single latent space. In response to these challenges, here we introduce CellCLIP, a cross-modal contrastive learning framework for HCS data. CellCLIP leverages pre-trained image encoders coupled with a novel channel encoding scheme to better capture relationships between different microscopy channels in image embeddings, along with natural language encoders for representing perturbations. Our framework outperforms current open-source models, demonstrating the best performance in both cross-modal retrieval and biologically meaningful downstream tasks while also achieving significant reductions in computation time. Code for our reproducing our experiments is available at https://github.com/suinleelab/CellCLIP.
T-SHIRT: Token-Selective Hierarchical Data Selection for Instruction Tuning
Authors: Yanjun Fu; Faisal Hamman; Sanghamitra Dutta
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Instruction tuning is essential for Large Language Models (LLMs) to effectively follow user instructions. To improve training efficiency and reduce data redundancy, recent works use LLM-based scoring functions, e.g., Instruction-Following Difficulty (IFD), to select high–quality instruction-tuning data with scores above a threshold. While these data selection methods often lead to models that can match or even exceed the performance of models trained on the full datasets, we identify two key limitations: (i) they assess quality at the sample level, ignoring token-level informativeness; and (ii) they overlook the robustness of the scoring method, often selecting a sample due to superficial lexical features instead of its true quality. In this work, we propose Token-Selective HIeRarchical Data Selection for Instruction Tuning (T-SHIRT), a novel data selection framework that introduces a new scoring method to include only informative tokens in quality evaluation and also promote robust and reliable samples whose neighbors also show high quality with less local inconsistencies. We demonstrate that models instruction-tuned on a curated dataset (only 5% of the original size) using T-SHIRT can outperform those trained on the entire large-scale dataset by up to 5.48 points on average across eight benchmarks. Across various LLMs and training set scales, our method consistently surpasses existing state-of-the-art data selection techniques, while also remaining both cost-effective and highly efficient. For instance, by using GPT-2 for score computation, we are able to process a dataset of 52k samples in 40 minutes on a single GPU. Our code is available at https://github.com/Dynamite321/T-SHIRT.
Learning Cocoercive Conservative Denoisers via Helmholtz Decomposition for Poisson Imaging Inverse Problems
Authors: Deliang Wei; Peng Chen; Haobo Xu; Jiale Yao; Fang Li; Tieyong Zeng
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Plug-and-play (PnP) methods with deep denoisers have shown impressive results in imaging problems. They typically require strong convexity or smoothness of the fidelity term and a (residual) non-expansive denoiser for convergence. These assumptions, however, are violated in Poisson inverse problems, and non-expansiveness can hinder denoising performance. To address these challenges, we propose a cocoercive conservative (CoCo) denoiser, which may be (residual) expansive, leading to improved denoising performance. By leveraging the generalized Helmholtz decomposition, we introduce a novel training strategy that combines Hamiltonian regularization to promote conservativeness and spectral regularization to ensure cocoerciveness. We prove that CoCo denoiser is a proximal operator of a weakly convex function, enabling a restoration model with an implicit weakly convex prior. The global convergence of PnP methods to a stationary point of this restoration model is established. Extensive experimental results demonstrate that our approach outperforms closely related methods in both visual quality and quantitative metrics.
Temperature is All You Need for Generalization in Langevin Dynamics and other Markov Processes
Authors: Itamar Harel; Yonathan Wolanowsky; Gal Vardi; Nathan Srebro; Daniel Soudry
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: We analyze the generalization gap (gap between the training and test errors) when training a potentially over-parametrized model using a Markovian stochastic training algorithm, initialized from some distribution $\theta_0 \sim p_0$. We focus on Langevin dynamics with a positive temperature $\beta^{-1}$, i.e. gradient descent on a training loss $L$ with infinitesimal step size, perturbed with $\beta^{-1}$-variances Gaussian noise, and lightly regularized or bounded.
There, we bound the generalization gap, *at any time during training*, by $\sqrt{(\beta\mathbb{E} L (\theta_0) + \log(1/\delta))/N}$ with probability $1-\delta$ over the dataset, where $N$ is the sample size, and $\mathbb{E} L(\theta_0)=O(1)$ with standard initialization scaling. In contrast to previous guarantees, we have no dependence on either training time or reliance on mixing, nor a dependence on dimensionality, gradient norms, or any other properties of the loss or model. This guarantee follows from a general analysis of any Markov process-based training that has a Gibbs-style stationary distribution. The proof is surprisingly simple, once we observe that the marginal distribution divergence from initialization remains bounded, as implied by a generalized second law of thermodynamics.
Eliciting Reasoning in Language Models with Cognitive Tools
Authors: Brown Ebouky; Andrea Bartezzaghi; Mattia Rigotti
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: The recent advent of reasoning models like OpenAI's o1 was met with excited speculation by the AI community about the mechanisms underlying these capabilities in closed models, followed by a rush of replication efforts, particularly from the open source community.
These speculations were largely settled by the demonstration from DeepSeek-R1 that chain-of-thought and reinforcement learning (RL) can effectively replicate reasoning on top of base LLMs.
However, it remains valuable to explore alternative methods for theoretically eliciting reasoning that could help elucidate the underlying mechanisms, as well as providing additional methods that may offer complementary benefits.

Here, we build on the long-standing literature in cognitive psychology and cognitive architectures, which postulates that reasoning arises from the orchestrated, sequential execution of a set of modular, predetermined cognitive operations.
Crucially, we implement this key idea within a modern agentic tool-calling framework.
In particular, we endow an LLM with a small set of "cognitive tools" encapsulating specific reasoning operations, each executed by the LLM itself.
Surprisingly, this simple strategy results in considerable gains in performance on standard mathematical reasoning benchmarks compared to base LLMs, for both closed and open-weight models.
For instance, providing our "cognitive tools" to GPT-4.1 increases its pass@1 performance on AIME2024 from 32\% to 53\%, even surpassing the performance of o1-preview.

In addition to its practical implications, this demonstration contributes to the debate regarding the role of post-training methods in eliciting reasoning in LLMs versus the role of inherent capabilities acquired during pre-training, and whether post-training merely uncovers these latent abilities.
Through the River: Understanding the Benefit of Schedule-Free Methods for Language Model Training
Authors: Minhak Song; Beomhan Baek; Kwangjun Ahn; Chulhee Yun
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: As both model and dataset sizes continue to scale rapidly, conventional pretraining strategies with fixed compute budgets—such as cosine learning rate schedules—are increasingly inadequate for large-scale training. Recent alternatives, including warmup-stable-decay (WSD) schedules and weight averaging, offer greater flexibility. However, WSD relies on explicit decay phases to track progress, while weight averaging addresses this limitation at the cost of additional memory. In search of a more principled and scalable alternative, we revisit the Schedule-Free (SF) method [Defazio et al., 2024], which has shown strong empirical performance across diverse settings. We show that SF-AdamW effectively navigates the "river" structure of the loss landscape without decay phases or auxiliary averaging, making it particularly suitable for continuously scaling training workloads. To understand this behavior, we conduct a theoretical and empirical analysis of SF dynamics, revealing that it implicitly performs weight averaging without memory overhead. Guided by this analysis, we propose a refined variant of SF that improves robustness to momentum and performs better under large batch sizes, addressing key limitations of the original method. Together, these results establish SF as a practical, scalable, and theoretically grounded approach for language model training.
On the Entropy Calibration of Language Models
Authors: Steven Cao; Gregory Valiant; Percy Liang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We study the problem of entropy calibration, which asks whether a language model's entropy over generations matches its log loss on human text. Past work found that models are miscalibrated, with entropy per step increasing as generations grow longer, due to error accumulation. To calibrate the model and improve text quality, it has become standard practice to truncate the distribution, but this approach reduces output diversity, which we would like to avoid. Therefore, in this paper, we ask: does miscalibration improve automatically with scale, and if not, is it theoretically possible to calibrate without tradeoffs? To build intuition, we first study a simplified theoretical setting to characterize the scaling behavior of miscalibration with respect to dataset size. We find that the rate of scaling depends on the power law exponent of the data distribution --- in particular, for a power law exponent close to 1, the scaling exponent is close to 0, meaning that miscalibration improves very slowly with scale. Next, we measure miscalibration empirically in language models ranging from 0.5B to 70B parameters. We find that the observed scaling behavior is similar to what is predicted theoretically: our fitted scaling exponents for text are close to 0, meaning that larger models accumulate error at a similar rate as smaller ones. This scaling (or, lack thereof) provides one explanation for why we sample from larger models with similar amounts of truncation as smaller models, even though the larger models are of higher quality. However, truncation is not a satisfying solution because it comes at the cost of increased log loss. In theory, is it even possible to reduce entropy while preserving log loss? We prove that it is possible, if we assume access to a black box which can fit models to predict the future entropy of text.
Understanding Fairness and Prediction Error through Subspace Decomposition and Influence Analysis
Authors: Enze Shi; Pankaj Bhagwat; Zhixian Yang; Linglong Kong; Bei Jiang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Machine learning models have achieved widespread success but often inherit and amplify historical biases, resulting in unfair outcomes. Traditional fairness methods typically impose constraints at the prediction level, without addressing underlying biases in data representations. In this work, we propose a principled framework that adjusts data representations to balance predictive utility and fairness. Using sufficient dimension reduction, we decompose the feature space into target-relevant, sensitive, and shared components, and control the fairness–utility trade-off by selectively removing sensitive information. We provide a theoretical analysis of how prediction error and fairness gaps evolve as shared subspaces are added, and employ influence functions to quantify their effects on the asymptotic behavior of parameter estimates. Experiments on both synthetic and real-world datasets validate our theoretical insights and show that the proposed method effectively improves fairness while preserving predictive performance.
Near-Exponential Savings for Population Mean Estimation with Active Learning
Authors: Julian Morimoto; JACOB GOLDIN; Daniel E. Ho
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We study the problem of efficiently estimating the mean of a $k$-class random variable, $Y$, using a limited number of labels, $N$, in settings where the analyst has access to auxiliary information (i.e.: covariates) $X$ that may be informative about $Y$. We propose an active learning algorithm ("PartiBandits") to estimate $\mathbb{E}[Y]$. The algorithm  yields an estimate, $\widehat{\mu}_{\text{PB}}$, such that $\left( \widehat{\mu}_{\text{PB}} - \mathbb{E}[Y]\right)^2$ is $\tilde{\mathcal{O}}\left( \frac{\nu + \exp(c \cdot (-N/\log(N))) }{N} \right)$, where $c > 0$ is a constant and $\nu$ is the risk of the Bayes-optimal classifier. PartiBandits is essentially a two-stage algorithm. In the first stage, it learns a partition of the unlabeled data that shrinks the average conditional variance of $Y$. In the second stage it uses a UCB-style subroutine ("WarmStart-UCB") to request labels from each stratum round-by-round. Both the main algorithm's and the subroutine's convergence rates are minimax optimal in classical settings. PartiBandits bridges the UCB and disagreement-based approaches to active learning despite these two approaches being designed to tackle very different tasks. We illustrate our methods through simulation using nationwide electronic health records. Our methods can be implemented using the \textbf{PartiBandits} package in R.
Dimensional Collapse in VQVAEs: Evidence and Remedies
Authors: Jiayou Zhang; Yifan Shen; Guangyi Chen; Le Song; Eric P. Xing
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Vector-Quantized Variational Autoencoders (VQVAEs) have enabled strong performance in generative modeling by mapping continuous data to learnable codes.
In this work, we identify a surprising yet consistent phenomenon that we term \emph{dimensional collapse}: despite using high-dimensional embeddings, VQVAEs tend to compress their representations into a much smaller subspace, typically only 4 to 10 dimensions.
We provide an in-depth analysis of this phenomenon and reveal its relation to model performance and learning dynamics.
Interestingly, VQVAEs naturally gravitate toward this low-dimensional regime, and enforcing higher-dimensional usage (e.g., via rank regularization) could lead to degraded performance.
To overcome this low-dimensionality limitation, we propose \textbf{Divide-and-Conquer VQ (DCVQ)}, which partitions the latent space into multiple low-dimensional subspaces, each quantized independently.
By design, each subspace respects the model’s preference for low dimensionality, while their combination expands the overall capacity.
Our results show that DCVQ overcomes the inherent dimensional bottleneck and achieves improved reconstruction quality across image datasets.
Exploration from a Primal-Dual Lens: Value-Incentivized Actor-Critic Methods for Sample-Efficient Online RL
Authors: Tong Yang; Bo Dai; Lin Xiao; Yuejie Chi
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Online reinforcement learning (RL) with complex function approximations such as transformers and deep neural networks plays a significant role in the modern practice of artificial intelligence. Despite its popularity and importance, balancing the fundamental trade-off between exploration and exploitation remains a long-standing challenge; in particular, we are still in lack of efficient and practical schemes that are backed by theoretical performance guarantees. Motivated by recent developments in exploration via optimistic regularization, this paper provides an interpretation of the principle of optimism through the lens of primal-dual optimization. From this fresh perspective, we set forth a new value-incentivized actor-critic (VAC) method, which optimizes a single easy-to-optimize objective integrating exploration and exploitation --- it promotes state-action and policy estimates that are both consistent with collected data transitions and result in higher value functions. Theoretically, the proposed VAC method has near-optimal regret guarantees under linear Markov decision processes (MDPs) in both finite-horizon and infinite-horizon settings, which can be extended to the general function approximation setting under appropriate assumptions.