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While Markov chain Monte Carlo methods (MCMC) provide a general framework to sample from a probability distribution defined up to normalization, they often suffer from slow convergence to the target distribution when the latter is highly…

Machine Learning · Computer Science 2023-07-06 Tristan Deleu , Yoshua Bengio

The Generative Flow Network is a probabilistic framework where an agent learns a stochastic policy for object generation, such that the probability of generating an object is proportional to a given reward function. Its effectiveness has…

Machine Learning · Computer Science 2022-10-10 Ling Pan , Dinghuai Zhang , Aaron Courville , Longbo Huang , Yoshua Bengio

Flow matching has emerged as a powerful framework for generative modeling, offering computational advantages over diffusion models by leveraging deterministic Ordinary Differential Equations (ODEs) instead of stochastic dynamics. While…

Machine Learning · Computer Science 2025-03-13 Chengyue Gong , Xiaoyu Li , Yingyu Liang , Jiangxuan Long , Zhenmei Shi , Zhao Song , Yu Tian

Generative Flow Network (GFlowNet) objectives implicitly fix an equal mixing of forward and backward policies, potentially constraining the exploration-exploitation trade-off during training. By further exploring the link between GFlowNets…

Artificial Intelligence · Computer Science 2026-02-27 Lin Chen , Samuel Drapeau , Fanghao Shao , Xuekai Zhu , Bo Xue , Yunchong Song , Mathieu Laurière , Zhouhan Lin

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems…

Machine Learning · Computer Science 2024-06-07 Ke Xue , Rong-Xi Tan , Xiaobin Huang , Chao Qian

GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution or reward function. However, for large-scale…

Machine Learning · Computer Science 2024-06-06 Tiago da Silva , Luiz Max Carvalho , Amauri Souza , Samuel Kaski , Diego Mesquita

Optimization problems involving mixed variables (i.e., variables of numerical and categorical nature) can be challenging to solve, especially in the presence of mixed-variable constraints. Moreover, when the objective function is the result…

Optimization and Control · Mathematics 2024-12-12 Mengjia Zhu , Alberto Bemporad

Generative Flow Networks (GFlowNets) have shown promising potential to generate high-scoring candidates with probability proportional to their rewards. As existing GFlowNets freely explore in state space, they encounter significant…

Machine Learning · Computer Science 2026-02-13 Xuan Yu , Xu Wang , Rui Zhu , Yudong Zhang , Yang Wang

Finding effective prompts for language models (LMs) is critical yet notoriously difficult: the prompt space is combinatorially large, rewards are sparse due to expensive target-LM evaluation. Yet, existing RL-based prompt optimizers often…

Artificial Intelligence · Computer Science 2026-02-04 Junmo Cho , Suhan Kim , Sangjune An , Minsu Kim , Dong Bok Lee , Heejun Lee , Sung Ju Hwang , Hae Beom Lee

Generative Flow Networks (GFlowNets) are amortized inference models designed to sample from unnormalized distributions over composable objects, with applications in generative modeling for tasks in fields such as causal discovery, NLP, and…

Machine Learning · Computer Science 2026-04-13 Tiago da Silva , Eliezer de Souza da Silva , Diego Mesquita

Traditional reinforcement learning often struggles to generate diverse, high-reward solutions, especially in domains like drug design and black-box function optimization. Markov Chain Monte Carlo (MCMC) methods provide an alternative method…

Machine Learning · Computer Science 2024-10-02 Siyi He

GFlowNets have exhibited promising performance in generating diverse candidates with high rewards. These networks generate objects incrementally and aim to learn a policy that assigns probability of sampling objects in proportion to…

Machine Learning · Computer Science 2024-06-11 George Ma , Emmanuel Bengio , Yoshua Bengio , Dinghuai Zhang

Quantum computing presents a promising alternative for the direct simulation of quantum systems with the potential to explore chemical problems beyond the capabilities of classical methods. However, current quantum algorithms are…

Distributed optimization is fundamental to modern machine learning applications like federated learning, but existing methods often struggle with ill-conditioned problems and face stability-versus-speed tradeoffs. We introduce fractional…

Machine Learning · Computer Science 2024-12-04 Andrei Lixandru , Marcel van Gerven , Sergio Pequito

Many existing branch and bound algorithms for multiobjective optimization problems require a significant computational cost to approximate the entire Pareto optimal solution set. In this paper, we propose a new branch and bound algorithm…

Optimization and Control · Mathematics 2024-05-20 Weitian Wu , Xinmin Yang

Black-box and preference-based optimization algorithms are global optimization procedures that aim to find the global solutions of an optimization problem using, respectively, the least amount of function evaluations or sample comparisons…

Optimization and Control · Mathematics 2022-02-04 Davide Previtali , Mirko Mazzoleni , Antonio Ferramosca , Fabio Previdi

Post training via GRPO has demonstrated remarkable effectiveness in improving the generation quality of flow-matching models. However, GRPO suffers from inherently low sample efficiency due to its on-policy training paradigm. To address…

Computer Vision and Pattern Recognition · Computer Science 2026-04-07 Liyu Zhang , Kehan Li , Tingrui Han , Tao Zhao , Yuxuan Sheng , Shibo He , Chao Li

Learning to Optimize (L2O) enhances optimization efficiency with integrated neural networks. L2O paradigms achieve great outcomes, e.g., refitting optimizer, generating unseen solutions iteratively or directly. However, conventional L2O…

Machine Learning · Computer Science 2025-03-17 Mingjia Shi , Ruihan Lin , Xuxi Chen , Yuhao Zhou , Zezhen Ding , Pingzhi Li , Tong Wang , Kai Wang , Zhangyang Wang , Jiheng Zhang , Tianlong Chen

We propose new filtering algorithms for the SEQUENCE constraint and some extensions of the SEQUENCE constraint based on network flows. We enforce domain consistency on the SEQUENCE constraint in $O(n^2)$ time down a branch of the search…

Artificial Intelligence · Computer Science 2009-09-25 Michael J. Maher , Nina Narodytska , Claude-Guy Quimper , Toby Walsh

GFlowNets are probabilistic models that sequentially generate compositional structures through a stochastic policy. Among GFlowNets, temperature-conditional GFlowNets can introduce temperature-based controllability for exploration and…

Machine Learning · Computer Science 2024-06-04 Minsu Kim , Joohwan Ko , Taeyoung Yun , Dinghuai Zhang , Ling Pan , Woochang Kim , Jinkyoo Park , Emmanuel Bengio , Yoshua Bengio