NeurIPS 2025 论文列表

This work studies a novel subset selection problem called *max-min diversification with monotone submodular utility* (MDMS), which has a wide range of applications in machine learning, e.g., data sampling and feature selection. Given a set of points in a metric space, the goal of MDMS is to maximize $f(S) = g(S) + \lambda \cdot \text{div}(S)$ subject to a cardinality constraint $|S| \le k$, where $g(S)$ is a monotone submodular function and $\text{div}(S) = \min_{u,v \in S : u \ne v} \text{dist}(u,v)$ is the *max-min diversity* objective. We propose the `GIST` algorithm, which gives a $\frac{1}{2}$-approximation guarantee for MDMS by approximating a series of maximum independent set problems with a bicriteria greedy algorithm. We also prove that it is NP-hard to approximate within a factor of $0.5584$. Finally, we show in our empirical study that `GIST` outperforms state-of-the-art benchmarks for a single-shot data sampling task on ImageNet.

We introduce a novel framework for efficient sampling from complex, unnormalised target distributions by exploiting multiscale dynamics. Traditional score-based sampling methods either rely on learned approximations of the score function or involve computationally expensive nested Markov chain Monte Carlo (MCMC) loops. In contrast, the proposed approach leverages stochastic averaging within a slow-fast system of stochastic differential equations (SDEs) to estimate intermediate scores along a diffusion path without training or inner-loop MCMC. Two algorithms are developed under this framework: *MultALMC*, which uses multiscale annealed Langevin dynamics, and *MultCDiff*, based on multiscale controlled diffusions for the reverse-time Ornstein-Uhlenbeck process. Both overdamped and underdamped variants are considered, with theoretical guarantees of convergence to the desired diffusion path. The framework is extended to handle heavy-tailed target distributions using Student’s t-based noise models and tailored fast-process dynamics. Empirical results across synthetic and real-world benchmarks, including multimodal and high-dimensional distributions, demonstrate that the proposed methods are competitive with existing samplers in terms of accuracy and efficiency, without the need for learned models.

Large denoising diffusion models, such as Stable Diffusion, have been trained on billions of image-caption pairs to perform text-conditioned image generation. As a byproduct of this training, these models have acquired general knowledge about image statistics, which can be useful for other inference tasks. However, when confronted with sampling an image under new constraints, e.g. generating the missing parts of an image, using large pre-trained text-to-image diffusion models is inefficient and often unreliable. Previous approaches either utilized backpropagation through the denoiser network, making them significantly slower and more memory-demanding than simple text-to-image generation, or only enforced the constraint locally, failing to capture critical long-range correlations in the sampled image. In this work, we propose an algorithm that enables fast, high-quality generation under arbitrary constraints. We show that in denoising diffusion models, we can employ an approximation to Newton’s optimization method that allows us to speed up inference and avoid the expensive backpropagation operations. Our approach produces results that rival or surpass the state-of-the-art training-free inference methods while requiring a fraction of the time. We demonstrate the effectiveness of our algorithm under both linear (inpainting, super-resolution) and non-linear (style-guided generation) constraints. An implementation is provided at https://github.com/cvlab-stonybrook/fast-constrained-sampling.

We study the multi-objective linear contextual bandit problem, where multiple possible conflicting objectives must be optimized simultaneously. We propose $\texttt{MOL-TS}$, the first Thompson Sampling algorithm with Pareto regret guarantees for this problem. Unlike standard approaches that compute an empirical Pareto front each round, $\texttt{MOL-TS}$ samples parameters across objectives and efficiently selects an arm from a novel effective Pareto front, which accounts for repeated selections over time. Our analysis shows that $\texttt{MOL-TS}$ achieves a worst-case Pareto regret bound of $\widetilde{O}(d^{3/2}\sqrt{T})$, where $d$ is the dimension of the feature vectors, $T$ is the total number of rounds, matching the best known order for randomized linear bandit algorithms for single objective. Empirical results confirm the benefits of our proposed approach, demonstrating improved regret minimization and strong multi-objective performance.

Thompson sampling (TS) is a powerful and widely used strategy for sequential decision-making, with applications ranging from Bayesian optimization to reinforcement learning (RL). Despite its success, the theoretical foundations of TS remain limited, particularly in settings with complex temporal structure such as RL. We address this gap by establishing no-regret guarantees for TS using models with Gaussian marginal distributions. Specifically, we consider TS in episodic RL with joint Gaussian process (GP) priors over rewards and transitions. We prove a regret bound of $\mathcal{\tilde{O}}(\sqrt{KH\Gamma(KH)})$ over $K$ episodes of horizon $H$, where $\Gamma(\cdot)$ captures the complexity of the GP model. Our analysis addresses several challenges, including the non-Gaussian nature of value functions and the recursive structure of Bellman updates, and extends classical tools such as the elliptical potential lemma to multi-output settings. This work advances the understanding of TS in RL and highlights how structural assumptions and model uncertainty shape its performance in finite-horizon Markov Decision Processes.

Conditional sampling is a fundamental task in Bayesian statistics and generative modeling. Consider the problem of sampling from the posterior distribution $P\_{X|Y=y^\*}$ for some observation $y^\*$, where the likelihood $P\_{Y|X}$ is known, and we are given $n$ i.i.d. samples $D=\\{X\_i\\}\_{i=1}^n$ drawn from an unknown prior distribution $\pi\_X$. Suppose that $f(\hat{\pi}\_{X^n})$ is the distribution of a posterior sample generated by an algorithm (e.g. a conditional generative model or the Bayes rule) when $\hat{\pi}\_{X^n}$ is the empirical distribution of the training data. Although averaging over the randomness of the training data $D$, we have $\mathbb{E}\_D\left(\hat{\pi}\_{X^n}\right)= \pi\_X$, we do not have $\mathbb{E}\_D\left\\{f(\hat{\pi}\_{X^n})\right\\}= f(\pi\_X)$ due to the nonlinearity of $f$, leading to a bias. In this paper we propose a black-box debiasing scheme that improves the accuracy of such a naive plug-in approach. For any integer $k$ and under boundedness of the likelihood and smoothness of $f$, we generate samples $\hat{X}^{(1)},\dots,\hat{X}^{(k)}$ and weights $w\_1,\dots,w\_k$ such that $\sum_{i=1}^kw_iP\_{\hat{X}^{(i)}}$ is a $k$-th order approximation of $f(\pi\_X)$, where the generation process treats $f$ as a black-box. Our generation process achieves higher accuracy when averaged over the randomness of the training data, without degrading the variance, which can be interpreted as improving memorization without compromising generalization in generative models.