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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…

机器学习 · 计算机科学 2023-03-07 Wenqian Li , Yinchuan Li , Zhigang Li , Jianye Hao , Yan Pang

Generative Flow Networks (GFlowNets) have emerged as an innovative learning paradigm designed to address the challenge of sampling from an unnormalized probability distribution, called the reward function. This framework learns a policy on…

机器学习 · 计算机科学 2024-07-04 Anas Krichel , Nikolay Malkin , Salem Lahlou , Yoshua Bengio

Generative Flow Networks (or GFlowNets for short) are a family of probabilistic agents that learn to sample complex combinatorial structures through the lens of "inference as control". They have shown great potential in generating…

机器学习 · 计算机科学 2023-06-27 Ling Pan , Dinghuai Zhang , Moksh Jain , Longbo Huang , Yoshua Bengio

Layout designs are encountered in a variety of fields. For problems with many design degrees of freedom, efficiency of design methods becomes a major concern. In recent years, machine learning methods such as artificial neural networks have…

机器学习 · 计算机科学 2021-02-01 Chao Qian , Renkai Tan , Wenjing Ye

The efficient, automated search for well-performing neural architectures (NAS) has drawn increasing attention in the recent past. Thereby, the predominant research objective is to reduce the necessity of costly evaluations of neural…

机器学习 · 计算机科学 2022-08-02 Jovita Lukasik , Steffen Jung , Margret Keuper

Accurate emulation of multi-scale physical systems governed by PDEs demands models that remain stable over long autoregressive rollouts while preserving fine-scale structures. Deterministic emulators produce overly-smoothed predictions,…

Fault detection and isolation in complex systems are critical to ensure reliable and efficient operation. However, traditional fault detection methods often struggle with issues such as nonlinearity and multivariate characteristics of the…

机器学习 · 计算机科学 2024-01-09 Jyoti Rani , Tapas Tripura , Hariprasad Kodamana , Souvik Chakraborty

We propose a new scalable method to optimize the architecture of an artificial neural network. The proposed algorithm, called Greedy Search for Neural Network Architecture, aims to determine a neural network with minimal number of layers…

机器学习 · 计算机科学 2021-04-30 Massimiliano Lupo Pasini , Junqi Yin , Ying Wai Li , Markus Eisenbach

We present GFlowState, a visual analytics system designed to illuminate the training process of Generative Flow Networks (GFlowNets or GFNs). GFlowNets are a probabilistic framework for generating samples proportionally to a reward…

机器学习 · 计算机科学 2026-04-24 Florian Holeczek , Andreas Hinterreiter , Alex Hernandez-Garcia , Marc Streit , Christina Humer

Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…

机器学习 · 计算机科学 2025-10-17 Daniel Saragih , Deyu Cao , Tejas Balaji

In recent years, various flow-based generative models have been proposed to generate high-fidelity waveforms in real-time. However, these models require either a well-trained teacher network or a number of flow steps making them…

声音 · 计算机科学 2020-07-06 Hyeongju Kim , Hyeonseung Lee , Woo Hyun Kang , Sung Jun Cheon , Byoung Jin Choi , Nam Soo Kim

The performance of a deep learning model on a specific task and dataset depends heavily on its neural architecture, motivating considerable efforts to rapidly and accurately identify architectures suited to the target task and dataset. To…

机器学习 · 计算机科学 2025-10-22 Sunwoo Kim , Hyunjin Hwang , Kijung Shin

This study presents a generative optimization framework that builds on a fine-tuned diffusion model and reward-directed sampling to generate high-performance engineering designs. The framework adopts a parametric representation of the…

机器学习 · 计算机科学 2025-08-05 Hadi Keramati , Patrick Kirchen , Mohammed Hannan , Rajeev K. Jaiman

Generative Flow Networks (GFlowNets) were developed to learn policies for efficiently sampling combinatorial candidates by interpreting their generative processes as trajectories in directed acyclic graphs. In the value-based training…

机器学习 · 计算机科学 2026-03-03 Puhua Niu , Shili Wu , Xiaoning Qian

The automation of feature extraction of machine learning has been successfully realized by the explosive development of deep learning. However, the structures and hyperparameters of deep neural network architectures also make huge…

机器学习 · 计算机科学 2024-10-01 Wenzhu Shao

Automatic neural architecture design has shown its potential in discovering powerful neural network architectures. Existing methods, no matter based on reinforcement learning or evolutionary algorithms (EA), conduct architecture search in a…

机器学习 · 计算机科学 2019-09-05 Renqian Luo , Fei Tian , Tao Qin , Enhong Chen , Tie-Yan Liu

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

Generative Flow Networks for continuous scenarios (CFlowNets) have shown promise in solving sequential decision-making tasks by learning stochastic policies using a flow and a retrieval network. Despite their demonstrated efficiency…

机器学习 · 计算机科学 2026-03-19 Zahin Sufiyan , Shadan Golestan , Yoshihiro Mitsuka , Shotaro Miwa , Osmar Zaiane

Novel architectures have recently improved generative image synthesis leading to excellent visual quality in various tasks. Much of this success is due to the scalability of these architectures and hence caused by a dramatic increase in…

计算机视觉与模式识别 · 计算机科学 2022-10-25 Andreas Blattmann , Robin Rombach , Kaan Oktay , Jonas Müller , Björn Ommer

Generative Flow Networks (GFlowNets) are a novel class of generative models designed to sample from unnormalized distributions and have found applications in various important tasks, attracting great research interest in their training…

机器学习 · 计算机科学 2024-10-04 Rui Hu , Yifan Zhang , Zhuoran Li , Longbo Huang