NeurIPS 2025 论文列表

We study the problem of contextual combinatorial semi-bandits, where input contexts are mapped into subsets of size $m$ of a collection of $K$ possible actions. In each round of the interaction, the learner observes feedback consisting of the realized reward of the predicted actions. Motivated by prototypical applications of contextual bandits, we focus on the $s$-sparse regime where we assume that the sum of rewards is bounded by some value $s \ll K$. For example, in recommendation systems the number of products purchased by any customer is significantly smaller than the total number of available products. Our main result is for the $(\varepsilon,\delta)$-PAC variant of the problem for which we design an algorithm that returns an $\varepsilon$-optimal policy with high probability using a sample complexity of $\widetilde{O}\big( (\mathrm{poly}(K/m) + sm / \varepsilon^2) \log (|\Pi|/\delta) \big)$ where $\Pi$ is the underlying (finite) class and $s$ is the sparsity parameter. This bound improves upon known bounds for combinatorial semi-bandits whenever $s \ll K$, and in the regime where $s = O(1)$, the leading terms in our bound match the corresponding full-information rates, implying that bandit feedback essentially comes at no cost. Our PAC learning algorithm is also computationally efficient given access to an ERM oracle for $\Pi$. Our framework generalizes the list multiclass classification problem with bandit feedback, which can be seen as a special case with binary reward vectors. In the special case of single-label classification corresponding to $s=m=1$, we prove an $O \big((K^7 + 1/\varepsilon^2)\log (|\mathcal{H}|/\delta)\big)$ sample complexity bound for a finite hypothesis class $\mathcal{H}$, which improves upon recent results in this scenario. Additionally, we consider the regret minimization setting where data can be generated adversarially, and establish a regret bound of $\widetilde O(|\Pi| + \sqrt{smT \log |\Pi|})$, extending the result of Erez et al. ('24) who consider the simpler single label classification setting.

Extracting optical flow from videos remains a core computer vision problem. Motivated by the recent success of large general-purpose models, we ask whether frozen self-supervised video models trained only to predict future frames can be prompted, without fine-tuning, to output flow. Prior attempts to read out depth or illumination from video generators required fine-tuning; that strategy is ill-suited for flow, where labeled data is scarce and synthetic datasets suffer from a sim-to-real gap. Inspired by the Counterfactual World Model (CWM) paradigm, which can obtain point-wise correspondences by injecting a small tracer perturbation into a next-frame predictor and tracking its propagation, we extend this idea to generative video models for zero-shot flow extraction. We explore several popular architectures and find that successful zero-shot flow extraction in this manner is aided by three model properties: (1) distributional prediction of future frames (avoiding blurry or noisy outputs); (2) factorized latents that treat each spatio-temporal patch independently; and (3) random-access decoding that can condition on any subset of future pixels. These properties are uniquely present in the recently introduced Local Random Access Sequence (LRAS) architecture. Building on LRAS, we propose KL-tracing: a novel test-time inference procedure that injects a localized perturbation into the first frame, rolls out the model one step, and computes the Kullback–Leibler divergence between perturbed and unperturbed predictive distributions. Without any flow-specific fine-tuning, our method is competitive with state-of-the-art, task-specific models on the real-world TAP-Vid DAVIS benchmark and the synthetic TAP-Vid Kubric. Our results show that counterfactual prompting of controllable generative video models is an effective alternative to supervised or photometric-loss methods for high-quality flow.

A long-standing goal in AI is to develop agents capable of solving diverse tasks across a range of environments, including those never seen during training. Two dominant paradigms address this challenge: (i) reinforcement learning (RL), which learns policies via trial and error, and (ii) optimal control, which plans actions using a known or learned dynamics model. However, their comparative strengths in the offline setting—where agents must learn from reward-free trajectories—remain underexplored. In this work, we systematically evaluate RL and control-based methods on a suite of navigation tasks, using offline datasets of varying quality. On the RL side, we consider goal-conditioned and zero-shot methods. On the control side, we train a latent dynamics model using the Joint Embedding Predictive Architecture (JEPA) and employ it for planning. We investigate how factors such as data diversity, trajectory quality, and environment variability influence the performance of these approaches. Our results show that model-free RL benefits most from large amounts of high-quality data, whereas model-based planning generalizes better to unseen layouts and is more data-efficient, while achieving trajectory stitching performance comparable to leading model-free methods. Notably, planning with a latent dynamics model proves to be a strong approach for handling suboptimal offline data and adapting to diverse environments.

Clustering tabular data remains a significant open challenge in data analysis and machine learning. Unlike for image data, similarity between tabular records often varies across datasets, making the definition of clusters highly dataset-dependent. Furthermore, the absence of supervised signals complicates hyperparameter tuning in deep learning clustering methods, frequently resulting in unstable performance. To address these issues and minimize the need for per-dataset tuning, we adopt an emerging approach in deep learning: zero-shot learning. We propose ZEUS, a self-contained model capable of clustering new datasets without any additional training or fine-tuning. It operates by decomposing complex datasets into meaningful components that can then be clustered effectively. Thanks to pre-training on synthetic datasets generated from a latent-variable prior, it generalizes across various datasets without requiring user intervention. To the best of our knowledge, ZEUS is the first zero-shot method capable of generating embeddings for tabular data in a fully unsupervised manner. Experimental results demonstrate that it performs on par with or better than traditional clustering algorithms and recent deep learning-based methods, while being significantly faster and more user-friendly.

Modern Parameter-Efficient Fine-Tuning (PEFT) methods such as low-rank adaptation (LoRA) reduce the cost of customizing large language models (LLMs), yet still require a separate optimization run for every downstream dataset. We introduce \textbf{Drag-and-Drop LLMs (\textit{DnD})}, a prompt-conditioned parameter generator that eliminates per-task training by mapping a handful of unlabeled task prompts directly to LoRA weight updates. A lightweight text encoder distills each prompt batch into condition embeddings, which are then transformed by a cascaded hyper-convolutional decoder into the full set of LoRA matrices. Once trained in a diverse collection of prompt-checkpoint pairs, DnD produces task-specific parameters in seconds, yielding i) up to \textbf{12,000$\times$} lower overhead than full fine-tuning, ii) average gains up to \textbf{30\%} in performance over the strongest training LoRAs on unseen common-sense reasoning, math, coding, and multimodal benchmarks, and iii) robust cross-domain generalization improving \textbf{40\%} performance without access to the target data or labels. Our results demonstrate that prompt-conditioned parameter generation is a viable alternative to gradient-based adaptation for rapidly specializing LLMs. We open source \href{https://jerryliang24.github.io/DnD}{our project} in support of future research.

The reward hypothesis states that all goals and purposes can be understood as the maximization of a received scalar reward signal. However, in practice, defining such a reward signal is notoriously difficult, as humans are often unable to predict the optimal behavior corresponding to a reward function. Natural language offers an intuitive alternative for instructing reinforcement learning (RL) agents, yet previous language-conditioned approaches either require costly supervision or test-time training given a language instruction. In this work, we present a new approach that uses a pretrained RL agent trained using only unlabeled, offline interactions—without task-specific supervision or labeled trajectories—to get zero-shot test-time policy inference from arbitrary natural language instructions. We introduce a framework comprising three steps: *imagine*, *project*, and *imitate*. First, the agent imagines a sequence of observations corresponding to the provided language description using video generative models. Next, these imagined observations are projected into the target environment domain. Finally, an agent pretrained in the target environment with unsupervised RL instantly imitates the projected observation sequence through a closed-form solution. To the best of our knowledge, our method, RLZero, is the first approach to show direct language-to-behavior generation abilities on a variety of tasks and environments without any in-domain supervision. We further show that components of RLZero can be used to generate policies zero-shot from cross-embodied videos, such as those available on YouTube, even for complex embodiments like humanoids.

Methods for split conformal prediction leverage calibration samples to transform any prediction rule into a set-prediction rule that complies with a target coverage probability. Existing methods provide remarkably strong performance guarantees with minimal computational costs. However, they require the use calibration samples composed by labeled examples different to those used for training. This requirement can be highly inconvenient, as it prevents the use of all labeled examples for training and may require acquiring additional labels solely for calibration. This paper presents an effective methodology for split conformal prediction with unsupervised calibration for classification tasks. In the proposed approach, set-prediction rules are obtained using unsupervised calibration samples together with supervised training samples previously used to learn the classification rule. Theoretical and experimental results show that the presented methods can achieve performance comparable to that with supervised calibration, at the expenses of a moderate degradation in performance guarantees and computational efficiency.

Vision–language models (VLMs) excel at zero-shot inference but often degrade under test-time domain shifts. For this reason, episodic test-time adaptation strategies have recently emerged as powerful techniques for adapting VLMs to a single unlabeled image. However, existing adaptation strategies, such as test-time prompt tuning, typically require backpropagating through large encoder weights or altering core model components. In this work, we introduce \textbf{S}pectrum-Aware \textbf{T}est-Time \textbf{S}teering (\textbf{STS}), a \textit{lightweight adaptation framework} that extracts a spectral subspace from the textual embeddings to define principal semantic directions, and learns to steer latent representations in a spectrum-aware manner by adapting a small number of per-sample shift parameters to minimize entropy across augmented views. STS operates entirely at inference in the latent space, without backpropagation through or modification of the frozen encoders. Building on standard evaluation protocols, our comprehensive experiments demonstrate that STS largely surpasses or compares favorably against state-of-the-art test-time adaptation methods, while introducing only a handful of additional parameters and achieving inference speeds up to 8× faster with a 12× smaller memory footprint than conventional test-time prompt tuning. The code is available at \url{https://github.com/kdafnis/STS}.

Stochastic differential equations (SDEs) describe dynamical systems where deterministic flows, governed by a drift function, are superimposed with random fluctuations, dictated by a diffusion function. The accurate estimation (*or discovery*) of these functions from data is a central problem in machine learning, with wide application across the natural and social sciences. Yet current solutions either rely heavily on prior knowledge of the dynamics or involve intricate training procedures. We introduce FIM-SDE (Foundation Inference Model for SDEs), a pretrained recognition model that delivers accurate *in-context* (or zero-shot) estimation of the drift and diffusion functions of *low-dimensional* SDEs, from noisy time series data, and allows rapid *finetuning* to target datasets. Leveraging concepts from amortized inference and neural operators, we (pre)train FIM-SDE in a supervised fashion to map a large set of noisy, discretely observed SDE paths onto the space of drift and diffusion functions. We demonstrate that FIM-SDE achieves robust *in-context* function estimation across a wide range of synthetic and real-world processes --- from canonical SDE systems (*e.g*., double-well dynamics or weakly perturbed Lorenz attractors) to stock price recordings and oil-price and wind-speed fluctuations --- while matching the performance of symbolic, Gaussian process and Neural SDE baselines trained on the target datasets. When *finetuned* to the target processes, we show that FIM-SDE consistently outperforms all these baselines.

In pattern classification, efficient uncertainty reasoning plays a critical role, particularly in real-time applications involving noisy data, ambiguous class boundaries, or overlapping categories. Leveraging the advanced computational power of quantum computing, an Adaptive Quantum Circuit for Dempster’s Rule of Combination (AQC-DRC) is proposed to address efficient classification under uncertain environments. The AQC-DRC is developed within the framework of quantum evidence theory (QET) and facilitates decision-making based on quantum basic probability and plausibility levels, which is a generalized Bayesian inference method. The AQC-DRC provides a deterministic computation of DRC, ensuring that quantum fusion outcomes in uncertain pattern classification are exactly aligned with those of the classical method, while simultaneously achieving exponential reductions in the computational complexity of evidence combination and significantly improving fusion efficiency. It is founded that the quantum basic probability amplitude function in QET, as a generalized quantum probability amplitude, can be naturally utilized to express the quantum amplitude encoding. In addition, the quantum basic probability in QET, as a generalized quantum probability, naturally forms a quantum basic probability distribution and can be used to represent quantum measurement outcomes for quantum basic probability level decision-making. Furthermore, the quantum plausibility function in QET also can be naturally used to express the quantum measurement outcomes for quantum plausibility level decision-making. These findings enrich the physical understanding of quantum amplitude encoding and quantum measurement outcomes, offering broad application prospects for representing and processing uncertain knowledge in pattern classification.

Boosting methods often achieve excellent classification accuracy, but can experience notable performance degradation in the presence of label noise. Existing robust methods for boosting provide theoretical robustness guarantees for certain types of label noise, and can exhibit only moderate performance degradation. However, previous theoretical results do not account for realistic types of noise and finite training sizes, and existing robust methods can provide unsatisfactory accuracies, even without noise. This paper presents methods for robust minimax boosting (RMBoost) that minimize worst-case error probabilities and are robust to general types of label noise. In addition, we provide finite-sample performance guarantees for RMBoost with respect to the error obtained without noise and with respect to the best possible error (Bayes risk). The experimental results corroborate that RMBoost is not only resilient to label noise but can also provide strong classification accuracy.

We address the problem of incremental sequence classification, where predictions are updated as new elements in the sequence are revealed. Drawing on temporal-difference learning from reinforcement learning, we identify a temporal-consistency condition that successive predictions should satisfy. We leverage this condition to develop a novel loss function for training incremental sequence classifiers. Through a concrete example, we demonstrate that optimizing this loss can offer substantial gains in data efficiency. We apply our method to text classification tasks and show that it improves predictive accuracy over competing approaches on several benchmark datasets. We further evaluate our approach on the task of verifying large language model generations for correctness in grade-school math problems. Our results show that models trained with our method are better able to distinguish promising generations from unpromising ones after observing only a few tokens.

We consider binary classification restricted to a class of continuous piecewise linear functions whose decision boundaries are (possibly nonconvex) starshaped polyhedral sets, supported on a fixed polyhedral simplicial fan. We investigate the expressivity of these function classes and describe the combinatorial and geometric structure of the loss landscape, most prominently the sublevel sets, for two loss-functions: the 0/1-loss (discrete loss) and a log-likelihood loss function. In particular, we give explicit bounds on the VC dimension of this model, and concretely describe the sublevel sets of the discrete loss as chambers in a hyperplane arrangement. For the log-likelihood loss, we give sufficient conditions for the optimum to be unique, and describe the geometry of the optimum when varying the rate parameter of the underlying exponential probability distribution.

This paper addresses metric 3D reconstruction of indoor scenes by exploiting their inherent geometric regularities with compact representations. Using planar 3D primitives -- a well-suited representation for man-made environments -- we introduce PLANA3R, a pose-free framework for metric $\underline{Plana}$r $\underline{3}$D $\underline{R}$econstruction from unposed two-view images. Our approach employs Vision Transformers to extract a set of sparse planar primitives, estimate relative camera poses, and supervise geometry learning via planar splatting, where gradients are propagated through high-resolution rendered depth and normal maps of primitives. Unlike prior feedforward methods that require 3D plane annotations during training, PLANA3R learns planar 3D structures without explicit plane supervision, enabling scalable training on large-scale stereo datasets using only depth and normal annotations. We validate PLANA3R on multiple indoor-scene datasets with metric supervision and demonstrate strong generalization to out-of-domain indoor environments across diverse tasks under metric evaluation protocols, including 3D surface reconstruction, depth estimation, and relative pose estimation. Furthermore, by formulating with planar 3D representation, our method emerges with the ability for accurate plane segmentation. The project page is available at: \url{https://lck666666.github.io/plana3r/}.

Transformers have achieved state-of-the-art performance across various tasks, but suffer from a notable quadratic complexity in sequence length due to the attention mechanism. In this work, we propose MonarchAttention -- a novel approach to sub-quadratic attention approximation via Monarch matrices, an expressive class of structured matrices. Based on the variational form of softmax, we describe an efficient optimization-based algorithm to compute an approximate projection of softmax attention onto the class of Monarch matrices with $\Theta(N\sqrt{N} d)$ computational complexity and $\Theta(Nd)$ memory/IO complexity. Unlike previous approaches, MonarchAttention is both (1) transferable, yielding minimal performance loss with no additional training, even when replacing every attention layer of the transformer, and (2) hardware-efficient, utilizing the highest-throughput tensor core units on modern GPUs. With optimized kernels, MonarchAttention achieves substantial speed-ups in wall-time over FlashAttention-2: $1.4\times$ for shorter sequences $(N=256)$, $4.5\times$ for medium-length sequences $(N=4K)$, and $8.2\times$ for longer sequences $(N=16K)$. We demonstrate the quality of MonarchAttention on diverse tasks and architectures in vision and language problems, showing that it flexibly and accurately approximates softmax attention in a variety of contexts.

Recent advancements in multimodal models have significantly improved vision-language (VL) alignment in radiology. However, existing approaches struggle to effectively utilize complex radiology reports for learning and offer limited interpretability through attention probability visualizations. To address these challenges, we introduce $\textbf{RadZero}$, a novel framework for VL alignment in chest X-ray with zero-shot multi-task capability. A key component of our approach is $\textbf{VL-CABS}$ ($\textbf{V}$ision-$\textbf{L}$anguage $\textbf{C}$ross-$\textbf{A}$ttention $\textbf{B}$ased on $\textbf{S}$imilarity), which aligns text embeddings with local image features for interpretable, fine-grained VL reasoning. RadZero leverages large language models to extract concise semantic sentences from radiology reports and employs multi-positive contrastive training to effectively capture relationships between images and multiple relevant textual descriptions. It uses a pre-trained vision encoder with additional trainable Transformer layers, allowing efficient high-resolution image processing. By computing similarity between text embeddings and local image patch features, VL-CABS enables zero-shot inference with similarity probability for classification, and pixel-level VL similarity maps for grounding and segmentation. Experimental results on public chest radiograph benchmarks show that RadZero outperforms state-of-the-art methods in zero-shot classification, grounding, and segmentation. Furthermore, VL similarity map analysis highlights the potential of VL-CABS for improving explainability in VL alignment. Additionally, qualitative evaluation demonstrates RadZero's capability for open-vocabulary semantic segmentation, further validating its effectiveness in medical imaging. Code is available at https://github.com/deepnoid-ai/RadZero.

Compositional Zero-Shot Learning (CZSL) aims to recognize novel attribute-object compositions based on the knowledge learned from seen ones. Existing methods suffer from performance degradation caused by the distribution shift of label space at test time, which stems from the inclusion of unseen compositions recombined from attributes and objects. To overcome the challenge, we propose a novel approach that accumulates comprehensive knowledge in both textual and visual modalities from unsupervised data to update multimodal prototypes at test time. Building on this, we further design an adaptive update weight to control the degree of prototype adjustment, enabling the model to flexibly adapt to distribution shift during testing. Moreover, a dynamic priority queue is introduced that stores high-confidence images to acquire visual knowledge from historical images for inference. Considering the semantic consistency of multimodal knowledge, we align textual and visual prototypes by multimodal collaborative representation learning. Extensive experiments indicate that our approach achieves state-of-the-art performance on four benchmark datasets under both closed-world and open-world settings. Code will be available at [https://github.com/xud-yan/TOMCAT](https://github.com/xud-yan/TOMCAT).

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.

Despite Multimodal Large Language Models (MLLMs) showing promising results on general zero-shot image classification tasks, fine-grained image classification remains challenging. It demands precise attention to subtle visual details to distinguish between visually similar subcategories—details that MLLMs may easily overlook without explicit guidance. To address this, we introduce AutoSEP, an iterative self-supervised prompt learning framework designed to enhance MLLM fine-grained classification capabilities in a fully unsupervised manner. Our core idea is to leverage unlabeled data to learn a description prompt that guides MLLMs in identifying crucial discriminative features within an image, and boost classification accuracy. We developed an automatic self-enhancing prompt learning framework called AutoSEP to iteratively improve the description prompt using unlabeled data, based on instance-level classification scoring function. AutoSEP only requires black-box access to MLLMs, eliminating the need for any training or fine-tuning. We evaluate our approach on multiple fine-grained classification datasets. It consistently outperforms other unsupervised baselines, demonstrating the effectiveness of our self-supervised optimization framework. Notably, AutoSEP in average improves 13\% over standard zero-shot classification and 3\% over the best-performing baselines.