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Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of…

Machine Learning · Computer Science 2021-01-29 Meiqi Zhu , Xiao Wang , Chuan Shi , Houye Ji , Peng Cui

With the rapidly growing model complexity and data volume, training deep generative models (DGMs) for better performance has becoming an increasingly more important challenge. Previous research on this problem has mainly focused on…

Machine Learning · Computer Science 2021-12-08 Yufan Zhou , Chunyuan Li , Changyou Chen , Jinhui Xu

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

Deep learning has recently been applied to various research areas of design optimization. This study presents the need and effectiveness of adopting deep learning for generative design (or design exploration) research area. This work…

Machine Learning · Computer Science 2020-05-27 Sangeun Oh , Yongsu Jung , Seongsin Kim , Ikjin Lee , Namwoo Kang

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…

Machine Learning · Computer Science 2023-10-05 Nikolay Malkin , Moksh Jain , Emmanuel Bengio , Chen Sun , Yoshua Bengio

In high dimensional settings, density estimation algorithms rely crucially on their inductive bias. Despite recent empirical success, the inductive bias of deep generative models is not well understood. In this paper we propose a framework…

Machine Learning · Computer Science 2018-11-09 Shengjia Zhao , Hongyu Ren , Arianna Yuan , Jiaming Song , Noah Goodman , Stefano Ermon

Generative Flow Networks (GFlowNets) are amortized sampling methods that learn a distribution over discrete objects proportional to their rewards. GFlowNets exhibit a remarkable ability to generate diverse samples, yet occasionally struggle…

Machine Learning · Computer Science 2024-03-26 Minsu Kim , Taeyoung Yun , Emmanuel Bengio , Dinghuai Zhang , Yoshua Bengio , Sungsoo Ahn , Jinkyoo Park

This work applies Generative Flow Networks (GFlowNets) to three graph optimization problems: the Traveling Salesperson Problem, Minimum Spanning Tree, and Shortest Path. GFlowNets are generative models that learn to sample solutions…

Artificial Intelligence · Computer Science 2025-10-28 Mark Phillip Matovic

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is…

The lack of mathematical tractability of Deep Neural Networks (DNNs) has hindered progress towards having a unified convergence analysis of training algorithms, in the general setting. We propose a unified optimization framework for…

Machine Learning · Computer Science 2018-05-24 Hadi Ghauch , Hossein Shokri-Ghadikolaei , Carlo Fischione , Mikael Skoglund

The Generative Flow Network (GFlowNet) is a probabilistic framework in which an agent learns a stochastic policy and flow functions to sample objects proportionally to an unnormalized reward function. A number of recent works explored…

Machine Learning · Computer Science 2025-06-03 Haoran He , Emmanuel Bengio , Qingpeng Cai , Ling Pan

Generative Flow Networks (GFlowNets; GFNs) are a class of generative models that learn to sample compositional objects proportionally to their a priori unknown value, their reward. We focus on the case where the reward has a specified,…

Machine Learning · Computer Science 2026-05-12 Alexandre Larouche , Audrey Durand

Since upcoming telescopes will observe thousands of strong lensing systems, creating fully-automated analysis pipelines for these images becomes increasingly important. In this work, we make a step towards that direction by developing the…

Cosmology and Nongalactic Astrophysics · Physics 2020-06-03 Marco Chianese , Adam Coogan , Paul Hofma , Sydney Otten , Christoph Weniger

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

Deep generative models (DGM) are neural networks with many hidden layers trained to approximate complicated, high-dimensional probability distributions using a large number of samples. When trained successfully, we can use the DGMs to…

Machine Learning · Computer Science 2021-04-13 Lars Ruthotto , Eldad Haber

A generative model is developed for deep (multi-layered) convolutional dictionary learning. A novel probabilistic pooling operation is integrated into the deep model, yielding efficient bottom-up (pretraining) and top-down (refinement)…

Machine Learning · Statistics 2015-04-17 Yunchen Pu , Xin Yuan , Lawrence Carin

Networks are ubiquitous in biology and computational approaches have been largely investigated for their inference. In particular, supervised machine learning methods can be used to complete a partially known network by integrating various…

Machine Learning · Computer Science 2014-04-25 Marie Schrynemackers , Louis Wehenkel , M. Madan Babu , Pierre Geurts

Recently, computational modeling has shifted towards the use of deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by…

Fluid Dynamics · Physics 2021-10-11 Suraj Pawar , Omer San , Prakash Vedula , Adil Rasheed , Trond Kvamsdal

In comparison to classical shallow representation learning techniques, deep neural networks have achieved superior performance in nearly every application benchmark. But despite their clear empirical advantages, it is still not well…

Machine Learning · Computer Science 2022-01-11 Calvin Murdock , George Cazenavette , Simon Lucey

Gradual argumentation frameworks represent arguments and their relationships in a weighted graph. Their graphical structure and intuitive semantics makes them a potentially interesting tool for interpretable machine learning. It has been…

Machine Learning · Computer Science 2021-06-28 Jonathan Spieler , Nico Potyka , Steffen Staab