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Recently, through a unified gradient flow perspective of Markov chain Monte Carlo (MCMC) and variational inference (VI), particle-based variational inference methods (ParVIs) have been proposed that tend to combine the best of both worlds.…

Machine Learning · Statistics 2024-10-31 Shiyue Zhang , Longlin Yu , Ziheng Cheng , Cheng Zhang

The output distribution of a neural network (NN) over the entire input space captures the complete input-output mapping relationship, offering insights toward a more comprehensive NN understanding. Exhaustive enumeration or traditional…

Artificial Intelligence · Computer Science 2023-02-22 Weitang Liu , Ying-Wai Li , Yi-Zhuang You , Jingbo Shang

Many Markov Chain Monte Carlo (MCMC) methods leverage gradient information of the potential function of target distribution to explore sample space efficiently. However, computing gradients can often be computationally expensive for large…

Machine Learning · Computer Science 2021-09-24 Ruilin Li , Xin Wang , Hongyuan Zha , Molei Tao

Score Distillation Sampling (SDS) is a recent but already widely popular method that relies on an image diffusion model to control optimization problems using text prompts. In this paper, we conduct an in-depth analysis of the SDS loss…

Computer Vision and Pattern Recognition · Computer Science 2024-07-08 Thiemo Alldieck , Nikos Kolotouros , Cristian Sminchisescu

Diffusion-based generative models learn to iteratively transfer unstructured noise to a complex target distribution as opposed to Generative Adversarial Networks (GANs) or the decoder of Variational Autoencoders (VAEs) which produce samples…

Machine Learning · Computer Science 2022-10-26 Sarthak Mittal , Guillaume Lajoie , Stefan Bauer , Arash Mehrjou

Particle-based approximate Bayesian inference approaches such as Stein Variational Gradient Descent (SVGD) combine the flexibility and convergence guarantees of sampling methods with the computational benefits of variational inference. In…

Machine Learning · Computer Science 2021-07-30 Lauro Langosco di Langosco , Vincent Fortuin , Heiko Strathmann

Humans are able to accelerate their learning by selecting training materials that are the most informative and at the appropriate level of difficulty. We propose a framework for distributing deep learning in which one set of workers search…

Machine Learning · Statistics 2016-04-19 Guillaume Alain , Alex Lamb , Chinnadhurai Sankar , Aaron Courville , Yoshua Bengio

Monte Carlo methods are widely used importance sampling techniques for studying complex physical systems. Integrating these methods with deep learning has significantly improved efficiency and accuracy in high-dimensional problems and…

Disordered Systems and Neural Networks · Physics 2024-12-24 Yixiong Ren , Jianhui Zhou

We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational…

We present a performant, general-purpose gradient-guided nested sampling algorithm, ${\tt GGNS}$, combining the state of the art in differentiable programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested…

Machine Learning · Computer Science 2023-12-08 Pablo Lemos , Nikolay Malkin , Will Handley , Yoshua Bengio , Yashar Hezaveh , Laurence Perreault-Levasseur

Generative neural samplers are probabilistic models that implement sampling using feedforward neural networks: they take a random input vector and produce a sample from a probability distribution defined by the network weights. These models…

Machine Learning · Statistics 2016-06-03 Sebastian Nowozin , Botond Cseke , Ryota Tomioka

Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires…

Machine Learning · Computer Science 2023-12-19 Yikai Liu , Tushar K. Ghosh , Guang Lin , Ming Chen

Diffusion models are state-of-the-art methods in generative modeling when samples from a target probability distribution are available, and can be efficiently sampled, using score matching to estimate score vectors guiding a Langevin…

Machine Learning · Statistics 2024-06-21 Omar Chehab , Anna Korba

Generative diffusion models, famous for their performance in image generation, are popular in various cross-domain applications. However, their use in the communication community has been mostly limited to auxiliary tasks like data modeling…

Networking and Internet Architecture · Computer Science 2025-03-11 Ruihuai Liang , Bo Yang , Zhiwen Yu , Bin Guo , Xuelin Cao , Mérouane Debbah , H. Vincent Poor , Chau Yuen

Sampling from unnormalised discrete distributions is a fundamental problem across various domains. While Markov chain Monte Carlo offers a principled approach, it often suffers from slow mixing and poor convergence. In this paper, we…

Machine Learning · Computer Science 2025-10-23 Zijing Ou , Ruixiang Zhang , Yingzhen Li

Adapting a pretrained diffusion model to new objectives at inference time remains an open problem in generative modeling. Existing steering methods suffer from inaccurate value estimation, especially at high noise levels, which biases…

Machine Learning · Computer Science 2025-06-27 Vineet Jain , Kusha Sareen , Mohammad Pedramfar , Siamak Ravanbakhsh

Recently, a series of papers proposed deep learning-based approaches to sample from target distributions using controlled diffusion processes, being trained only on the unnormalized target densities without access to samples. Building on…

Machine Learning · Computer Science 2024-05-24 Lorenz Richter , Julius Berner

Score distillation sampling (SDS) has shown great promise in text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models, but suffers from over-saturation, over-smoothing, and low-diversity problems. In this…

Machine Learning · Computer Science 2023-11-23 Zhengyi Wang , Cheng Lu , Yikai Wang , Fan Bao , Chongxuan Li , Hang Su , Jun Zhu

Many score-based active learning methods have been successfully applied to graph-structured data, aiming to reduce the number of labels and achieve better performance of graph neural networks based on predefined score functions. However,…

Machine Learning · Computer Science 2023-04-25 Yinchuan Li , Zhigang Li , Wenqian Li , Yunfeng Shao , Yan Zheng , Jianye Hao

Diffusion models are commonly interpreted as learning the score function, i.e., the gradient of the log-density of noisy data. However, this assumption implies that the target of learning is a conservative vector field, which is not…

Machine Learning · Computer Science 2025-09-03 An B. Vuong , Michael T. McCann , Javier E. Santos , Yen Ting Lin