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Generative Flow Networks (GFlowNets) treat sampling from distributions over compositional discrete spaces as a sequential decision-making problem, training a stochastic policy to construct objects step by step. Recent studies have revealed…

Machine Learning · Computer Science 2024-06-21 Nikita Morozov , Daniil Tiapkin , Sergey Samsonov , Alexey Naumov , Dmitry Vetrov

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…

Machine Learning · Computer Science 2022-10-03 Anh Do , Duy Dinh , Tan Nguyen , Khuong Nguyen , Stanley Osher , Nhat Ho

Advancements in robotics have opened possibilities to automate tasks in various fields such as manufacturing, emergency response and healthcare. However, a significant challenge that prevents robots from operating in real-world environments…

Robotics · Computer Science 2025-01-08 Zahin Sufiyan , Shadan Golestan , Shotaro Miwa , Yoshihiro Mitsuka , Osmar Zaiane

We introduce BatchGFN -- a novel approach for pool-based active learning that uses generative flow networks to sample sets of data points proportional to a batch reward. With an appropriate reward function to quantify the utility of…

Machine Learning · Computer Science 2023-06-28 Shreshth A. Malik , Salem Lahlou , Andrew Jesson , Moksh Jain , Nikolay Malkin , Tristan Deleu , Yoshua Bengio , Yarin Gal

In this work, we consider the radio resource allocation problem in a wireless system with various integrated functionalities, such as communication, sensing and computing. We design suitable resource management techniques that can…

Machine Learning · Computer Science 2025-05-09 Charbel Bou Chaaya , Mehdi Bennis

A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification,…

Machine Learning · Computer Science 2020-06-16 Sarkhan Badirli , Xuanqing Liu , Zhengming Xing , Avradeep Bhowmik , Khoa Doan , Sathiya S. Keerthi

This paper investigates the intriguing question of whether we can create learning algorithms that automatically generate training data, learning environments, and curricula in order to help AI agents rapidly learn. We show that such…

Machine Learning · Computer Science 2019-12-18 Felipe Petroski Such , Aditya Rawal , Joel Lehman , Kenneth O. Stanley , Jeff Clune

Training deep neural networks remains computationally intensive due to the itera2 tive nature of gradient-based optimization. We propose Gradient Flow Matching (GFM), a continuous-time modeling framework that treats neural network training…

Machine Learning · Computer Science 2025-05-27 Xiao Shou , Yanna Ding , Jianxi Gao

The scalability of pool-based active learning is limited by the computational cost of evaluating large unlabeled datasets, a challenge that is particularly acute in virtual screening for drug discovery. While active learning strategies such…

Machine Learning · Computer Science 2025-09-03 Renfei Zhang , Mohit Pandey , Artem Cherkasov , Martin Ester

Reinforcement Learning (RL) algorithms aim to learn an optimal policy by iteratively sampling actions to learn how to maximize the total expected return, $R(x)$. GFlowNets are a special class of algorithms designed to generate diverse…

Machine Learning · Computer Science 2023-07-19 Nikhil Vemgal , Elaine Lau , Doina Precup

This paper studies generative flow networks (GFlowNets) to sample objects from the Boltzmann energy distribution via a sequence of actions. In particular, we focus on improving GFlowNet with partial inference: training flow functions with…

Machine Learning · Computer Science 2023-10-06 Hyosoon Jang , Minsu Kim , Sungsoo Ahn

Mathematical reasoning problems are among the most challenging, as they typically require an understanding of fundamental laws to solve. The laws are universal, but the derivation of the final answer changes depending on how a problem is…

Machine Learning · Computer Science 2024-10-29 Ryoichi Takase , Masaya Tsunokake , Yuta Tsuchiya , Shota Inuzuka

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

Gating mechanisms have emerged as an effective strategy integrated into model designs beyond recurrent neural networks for addressing long-range dependency problems. In a broad understanding, it provides adaptive control over the…

Computer Vision and Pattern Recognition · Computer Science 2026-02-27 Yifan Wang , Xu Ma , Yitian Zhang , Zhongruo Wang , Sung-Cheol Kim , Vahid Mirjalili , Vidya Renganathan , Yun Fu

While one commonly trains large diffusion models by collecting datasets on target downstream tasks, it is often desired to align and finetune pretrained diffusion models with some reward functions that are either designed by experts or…

Machine Learning · Computer Science 2025-05-20 Zhen Liu , Tim Z. Xiao , Weiyang Liu , Yoshua Bengio , Dinghuai Zhang

Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework…

Machine Learning · Computer Science 2025-06-13 Mohit Pandey , Gopeshh Subbaraj , Artem Cherkasov , Martin Ester , Emmanuel Bengio

Generative flow networks (GFlowNets) are sequential sampling models trained to match a given distribution. GFlowNets have been successfully applied to various structured object generation tasks, sampling a diverse set of high-reward objects…

Machine Learning · Computer Science 2024-03-15 Marco Jiralerspong , Bilun Sun , Danilo Vucetic , Tianyu Zhang , Yoshua Bengio , Gauthier Gidel , Nikolay Malkin

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and…

Machine Learning · Computer Science 2023-11-03 Yiheng Zhu , Jialu Wu , Chaowen Hu , Jiahuan Yan , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities. Its long history and numerous applications notwithstanding, inference of phylogenetic trees from sequence data remains…

Populations and Evolution · Quantitative Biology 2024-03-26 Mingyang Zhou , Zichao Yan , Elliot Layne , Nikolay Malkin , Dinghuai Zhang , Moksh Jain , Mathieu Blanchette , Yoshua Bengio

The first part of this paper studies the evolution of gradient flow for homogeneous neural networks near a class of saddle points exhibiting a sparsity structure. The choice of these saddle points is motivated from previous works on…

Machine Learning · Computer Science 2025-09-16 Akshay Kumar , Jarvis Haupt