Title
Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework Without Data Maximilian Stupp P. S. Koutsourelakis 38 0 0 29 Apr 2025
Adjoint Sampling: Highly Scalable Diffusion Samplers via Adjoint Matching Aaron J. Havens Benjamin Kurt Miller Bing Yan Carles Domingo-Enrich Anuroop Sriram ... Brandon Amos Brian Karrer Xiang Fu Guan-Horng Liu Ricky T. Q. Chen DiffM 41 0 0 16 Apr 2025
Potential Score Matching: Debiasing Molecular Structure Sampling with Potential Energy Guidance Liya Guo Zun Wang Chang-Shu Liu J. Li Pipi Hu Yi Zhu DiffM 41 0 0 18 Mar 2025
Sampling Decisions Michael Chertkov Sungsoo Ahn Hamidreza Behjoo 37 1 0 17 Mar 2025
Underdamped Diffusion Bridges with Applications to Sampling Denis Blessing Julius Berner Lorenz Richter Gerhard Neumann DiffM 29 1 0 02 Mar 2025
End-To-End Learning of Gaussian Mixture Priors for Diffusion Sampler Denis Blessing Xiaogang Jia Gerhard Neumann DiffM 38 0 0 01 Mar 2025
Posterior Inference with Diffusion Models for High-dimensional Black-box Optimization Taeyoung Yun Kiyoung Om Jaewoo Lee Sujin Yun Jinkyoo Park 38 1 0 24 Feb 2025
Value Gradient Sampler: Sampling as Sequential Decision Making Sangwoong Yoon Himchan Hwang Hyeokju Jeong Dong Kyu Shin Che-Sang Park Sehee Kwon Frank C. Park 64 0 0 18 Feb 2025
In-Context Parametric Inference: Point or Distribution Estimators? Sarthak Mittal Yoshua Bengio Nikolay Malkin Guillaume Lajoie 60 0 0 17 Feb 2025
Maximum Entropy Reinforcement Learning with Diffusion Policy Xiaoyi Dong Jian Cheng X. Zhang 31 0 0 17 Feb 2025
Neural Flow Samplers with Shortcut Models Wuhao Chen Zijing Ou Yingzhen Li 70 0 0 11 Feb 2025
From discrete-time policies to continuous-time diffusion samplers: Asymptotic equivalences and faster training Julius Berner Lorenz Richter Marcin Sendera Jarrid Rector-Brooks Nikolay Malkin OffRL 44 3 0 10 Jan 2025
Streaming Bayes GFlowNets Tiago da Silva Daniel Augusto R. M. A. de Souza Diego Mesquita BDL 26 0 0 08 Nov 2024
Hamiltonian Score Matching and Generative Flows Peter Holderrieth Yilun Xu Tommi Jaakkola 16 0 0 27 Oct 2024
Learned Reference-based Diffusion Sampling for multi-modal distributions Maxence Noble Louis Grenioux Marylou Gabrié Alain Durmus DiffM 23 2 0 25 Oct 2024
Training Neural Samplers with Reverse Diffusive KL Divergence Jiajun He Wenlin Chen Mingtian Zhang David Barber José Miguel Hernández-Lobato DiffM 26 4 0 16 Oct 2024
Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning Yuxuan Ren Dihan Zheng Chang-Shu Liu Peiran Jin Yu Shi Lin Huang Jiyan He Shengjie Luo Tao Qin Tie-Yan Liu AI4CE 17 0 0 14 Oct 2024
Steering Masked Discrete Diffusion Models via Discrete Denoising Posterior Prediction Jarrid Rector-Brooks Mohsin Hasan Zhangzhi Peng Zachary Quinn Chenghao Liu ... Michael Bronstein Yoshua Bengio Pranam Chatterjee Alexander Tong Avishek Joey Bose DiffM 37 6 0 10 Oct 2024
NETS: A Non-Equilibrium Transport Sampler M. S. Albergo Eric Vanden-Eijnden DiffM 43 7 0 03 Oct 2024
BNEM: A Boltzmann Sampler Based on Bootstrapped Noised Energy Matching RuiKang OuYang Bo Qiang José Miguel Hernández-Lobato 76 3 0 15 Sep 2024
Iterated Energy-based Flow Matching for Sampling from Boltzmann Densities Dongyeop Woo Sungsoo Ahn 20 5 0 29 Aug 2024
A Practical Diffusion Path for Sampling Omar Chehab Anna Korba DiffM 16 1 0 20 Jun 2024
Beyond ELBOs: A Large-Scale Evaluation of Variational Methods for Sampling Denis Blessing Xiaogang Jia Johannes Esslinger Francisco Vargas Gerhard Neumann 34 15 0 11 Jun 2024
A Diffusion Model Framework for Unsupervised Neural Combinatorial Optimization Sebastian Sanokowski Sepp Hochreiter Sebastian Lehner 19 16 0 03 Jun 2024
Amortizing intractable inference in diffusion models for vision, language, and control S. Venkatraman Moksh Jain Luca Scimeca Minsu Kim Marcin Sendera ... Alexandre Adam Jarrid Rector-Brooks Yoshua Bengio Glen Berseth Nikolay Malkin 54 24 0 31 May 2024
Model-Based Diffusion for Trajectory Optimization Chaoyi Pan Zeji Yi Guanya Shi Guannan Qu 30 2 0 28 May 2024
Markovian Flow Matching: Accelerating MCMC with Continuous Normalizing Flows A. Cabezas Louis Sharrock Christopher Nemeth 26 0 0 23 May 2024
Sequential transport maps using SoS density estimation and $α$ -divergences Benjamin Zanger Tiangang Cui Martin Schreiber O. Zahm 20 0 0 27 Feb 2024
Target Score Matching Valentin De Bortoli M. Hutchinson Peter Wirnsberger Arnaud Doucet DiffM 20 17 0 13 Feb 2024
Denoising Diffusion Variational Inference: Diffusion Models as Expressive Variational Posteriors Wasu Top Piriyakulkij Yingheng Wang Volodymyr Kuleshov DiffM 17 1 0 05 Jan 2024
GFlowNets and variational inference Nikolay Malkin Salem Lahlou T. Deleu Xu Ji J. E. Hu Katie Everett Dinghuai Zhang Yoshua Bengio BDL 127 77 0 02 Oct 2022
Rectified Flow: A Marginal Preserving Approach to Optimal Transport Qiang Liu OT 109 83 0 29 Sep 2022
Equivariant Finite Normalizing Flows A. Bose Marcus A. Brubaker I. Kobyzev DRL 11 8 0 16 Oct 2021
MCMC using Hamiltonian dynamics Radford M. Neal 127 3,260 0 09 Jun 2012