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Flow-based generative models leverage invertible generator functions to fit a distribution to the training data using maximum likelihood. Despite their use in several application domains, robustness of these models to adversarial attacks…

机器学习 · 计算机科学 2019-11-21 Phillip Pope , Yogesh Balaji , Soheil Feizi

We introduce a new paradigm for generative modeling built on Continuous Normalizing Flows (CNFs), allowing us to train CNFs at unprecedented scale. Specifically, we present the notion of Flow Matching (FM), a simulation-free approach for…

机器学习 · 计算机科学 2023-02-09 Yaron Lipman , Ricky T. Q. Chen , Heli Ben-Hamu , Maximilian Nickel , Matt Le

Graph neural networks (GNNs) have shown advantages in graph-based analysis tasks. However, most existing methods have the homogeneity assumption and show poor performance on heterophilic graphs, where the linked nodes have dissimilar…

机器学习 · 计算机科学 2024-04-16 Tianhao Peng , Wenjun Wu , Haitao Yuan , Zhifeng Bao , Zhao Pengrui , Xin Yu , Xuetao Lin , Yu Liang , Yanjun Pu

Generative Flow Networks (GFlowNets) learn to sample diverse candidates in proportion to a reward function, making them well-suited for scientific discovery, where exploring multiple promising solutions is crucial. Further extending…

机器学习 · 计算机科学 2026-05-29 Seokwon Yoon , Youngbin Choi , Seunghyuk Cho , Seungbeom Lee , MoonJeong Park , Dongwoo Kim

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

机器学习 · 计算机科学 2024-07-09 Markus Zopf , Francesco Alesiani

Maximum likelihood estimation of energy-based models is a challenging problem due to the intractability of the log-likelihood gradient. In this work, we propose learning both the energy function and an amortized approximate sampling…

机器学习 · 计算机科学 2019-05-29 Rithesh Kumar , Sherjil Ozair , Anirudh Goyal , Aaron Courville , Yoshua Bengio

Generative Flow Networks (GFlowNets) are recently proposed models for learning stochastic policies that generate compositional objects by sequences of actions with the probability proportional to a given reward function. The central problem…

机器学习 · 计算机科学 2022-10-03 Anh Do , Duy Dinh , Tan Nguyen , Khuong Nguyen , Stanley Osher , Nhat Ho

Deep learning achieves remarkable generalization capability with overwhelming number of model parameters. Theoretical understanding of deep learning generalization receives recent attention yet remains not fully explored. This paper…

机器学习 · 计算机科学 2017-11-22 Guanhua Zheng , Jitao Sang , Changsheng Xu

Simulating complex dynamics like fluids with traditional simulators is computationally challenging. Deep learning models have been proposed as an efficient alternative, extending or replacing parts of traditional simulators. We investigate…

机器学习 · 计算机科学 2022-03-16 Jonathan Klimesch , Philipp Holl , Nils Thuerey

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

机器学习 · 计算机科学 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which…

机器学习 · 计算机科学 2023-03-03 Nikolay Malkin , Salem Lahlou , Tristan Deleu , Xu Ji , Edward Hu , Katie Everett , Dinghuai Zhang , Yoshua Bengio

Achieving both accuracy and diverse reasoning remains challenging for Large Language Models (LLMs) in complex domains like mathematics. A key bottleneck is evaluating intermediate reasoning steps to guide generation without costly human…

机器学习 · 计算机科学 2025-10-14 Adam Younsi , Ahmed Attia , Abdalgader Abubaker , Mohamed El Amine Seddik , Hakim Hacid , Salem Lahlou

This paper presents a general framework for exploiting the representational capacity of neural networks to approximate complex, nonlinear reward functions in the context of solving the inverse reinforcement learning (IRL) problem. We show…

机器学习 · 计算机科学 2016-03-14 Markus Wulfmeier , Peter Ondruska , Ingmar Posner

Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action…

机器学习 · 计算机科学 2023-10-05 Nikolay Malkin , Moksh Jain , Emmanuel Bengio , Chen Sun , Yoshua Bengio

Markov logic networks (MLNs) reconcile two opposing schools in machine learning and artificial intelligence: causal networks, which account for uncertainty extremely well, and first-order logic, which allows for formal deduction. An MLN is…

机器学习 · 统计学 2017-04-20 Peter Wittek , Christian Gogolin

Generative flows models enjoy the properties of tractable exact likelihood and efficient sampling, which are composed of a sequence of invertible functions. In this paper, we incorporate matrix exponential into generative flows. Matrix…

机器学习 · 计算机科学 2020-07-21 Changyi Xiao , Ligang Liu

Generative policies based on expressive model classes, such as diffusion and flow matching, are well-suited to complex control problems with highly multimodal action distributions. Their expressivity, however, comes at a significant…

机器学习 · 计算机科学 2026-05-13 Christos Ziakas , Alessandra Russo , Avishek Joey Bose

In this paper, we explore the potential of generative machine learning models as an alternative to the computationally expensive Monte Carlo (MC) simulations commonly used by the Large Hadron Collider (LHC) experiments. Our objective is to…

高能物理 - 实验 · 物理学 2023-11-21 Allison Xu , Shuo Han , Xiangyang Ju , Haichen Wang

Bayesian Flow Networks (BFNs) has been recently proposed as one of the most promising direction to universal generative modelling, having ability to learn any of the data type. Their power comes from the expressiveness of neural networks…

机器学习 · 计算机科学 2023-10-19 Mateusz Pyla , Kamil Deja , Bartłomiej Twardowski , Tomasz Trzciński

Modern reinforcement learning (RL) algorithms have found success by using powerful probabilistic models, such as transformers, energy-based models, and diffusion/flow-based models. To this end, RL researchers often choose to pay the price…

机器学习 · 计算机科学 2025-06-05 Raj Ghugare , Benjamin Eysenbach