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Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that…

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

Generative Flow Networks (GFlowNets) are a family of generative models that learn to sample objects from a given probability distribution, potentially known up to a normalizing constant. Instead of working in the object space, GFlowNets…

Machine Learning · Computer Science 2025-09-12 Nikita Morozov , Ian Maksimov , Daniil Tiapkin , Sergey Samsonov

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

Graph neural networks (GNNs) have achieved remarkable success across a wide range of applications, such as recommendation, drug discovery, and question answering. Behind the success of GNNs lies the backpropagation (BP) algorithm, which is…

Machine Learning · Computer Science 2024-04-16 Namyong Park , Xing Wang , Antoine Simoulin , Shuai Yang , Grey Yang , Ryan Rossi , Puja Trivedi , Nesreen Ahmed

Achieving chemical accuracy in quantum simulations is often constrained by the measurement bottleneck: estimating operators requires a large number of shots, which remains costly even on fault-tolerant devices and is further exacerbated on…

Quantum Physics · Physics 2025-09-22 Isaac L. Huidobro-Meezs , Jun Dai , Rodrigo A. Vargas-Hernández

Machine learning is gaining growing momentum in various recent models for the dynamic analysis of information flows in data communications networks. These preliminary models often rely on off-the-shelf learning models to predict from…

Machine Learning · Computer Science 2023-04-04 Xiangle Cheng , James He , Shihan Xiao , Yingxue Zhang , Zhitang Chen , Pascal Poupart , Fenglin Li

Efficiently identifying the right trajectories for training remains an open problem in GFlowNets. To address this, it is essential to prioritize exploration in regions of the state space where the reward distribution has not been…

Machine Learning · Computer Science 2025-10-23 Sajan Muhammad , Salem Lahlou

Graph neural networks (GNN) have recently emerged as a vehicle for applying deep network architectures to graph and relational data. However, given the increasing size of industrial datasets, in many practical situations the message passing…

Machine Learning · Computer Science 2021-11-16 Qingru Zhang , David Wipf , Quan Gan , Le Song

Symbolic regression (SR) is an area of interpretable machine learning that aims to identify mathematical expressions, often composed of simple functions, that best fit in a given set of covariates $X$ and response $y$. In recent years, deep…

Machine Learning · Computer Science 2023-12-04 Sida Li , Ioana Marinescu , Sebastian Musslick

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

Diffusion models have become the de-facto approach for generating visual data, which are trained to match the distribution of the training dataset. In addition, we also want to control generation to fulfill desired properties such as…

Machine Learning · Computer Science 2024-12-30 Dinghuai Zhang , Yizhe Zhang , Jiatao Gu , Ruixiang Zhang , Josh Susskind , Navdeep Jaitly , Shuangfei Zhai

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

Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over the years. Existing literature mainly focus on selecting a subgraph, through combinatorial optimization, to provide faithful…

Machine Learning · Computer Science 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

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

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…

Machine Learning · Computer Science 2025-10-14 Adam Younsi , Ahmed Attia , Abdalgader Abubaker , Mohamed El Amine Seddik , Hakim Hacid , Salem Lahlou

Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' operation and planning. Therefore, there is a need for scalable algorithms that can provide accurate and fast solutions for both small and large scale…

Machine Learning · Computer Science 2024-02-14 Nan Lin , Stavros Orfanoudakis , Nathan Ordonez Cardenas , Juan S. Giraldo , Pedro P. Vergara

The area of Smart Power Grids needs to constantly improve its efficiency and resilience, to pro-vide high quality electrical power, in a resistant grid, managing faults and avoiding failures. Achieving this requires high component…

Machine Learning · Computer Science 2021-02-03 Pedro J. Rivera Torres , Carlos Gershenson García , Samir Kanaan Izquierdo

The performance of sensor arrays in sensing and wireless communications improves with more elements, but this comes at the cost of increased energy consumption and hardware expense. This work addresses the challenge of selecting $k$ sensor…

Machine Learning · Computer Science 2024-07-30 Spilios Evmorfos , Zhaoyi Xu , Athina Petropulu

Due to limited resources and fast economic growth, designing optimal transportation road networks with traffic simulation and validation in a cost-effective manner is vital for developing countries, where extensive manual testing is…

Artificial Intelligence · Computer Science 2023-10-06 Zarif Ikram , Ling Pan , Dianbo Liu