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相关论文: Multi-Objective GFlowNets

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Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph…

机器学习 · 计算机科学 2019-02-26 Jiaxuan You , Bowen Liu , Rex Ying , Vijay Pande , Jure Leskovec

Meshfree simulation methods are emerging as compelling alternatives to conventional mesh-based approaches, particularly in the fields of Computational Fluid Dynamics (CFD) and continuum mechanics. In this publication, we provide a…

机器学习 · 计算机科学 2024-03-21 Paulami Banerjee , Mohan Padmanabha , Chaitanya Sanghavi , Isabel Michel , Simone Gramsch

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

Existing Multi-view Clustering (MVC) methods based on subspace learning focus on consensus representation learning while neglecting the inherent topological structure of data. Despite the integration of Graph Neural Networks (GNNs) into…

计算机视觉与模式识别 · 计算机科学 2025-11-11 Chenping Pei , Fadi Dornaika , Jingjun Bi

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

机器学习 · 计算机科学 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

机器学习 · 计算机科学 2022-06-08 Zhaoning Yu , Hongyang Gao

Designing modern industrial systems requires balancing several competing objectives, such as profitability, resilience, and sustainability, while accounting for complex interactions between technological, economic, and environmental…

机器学习 · 统计学 2026-02-12 Akshay Kudva , Wei-Ting Tang , Joel A. Paulson

Multiple-objective optimization (MOO) aims to simultaneously optimize multiple conflicting objectives and has found important applications in machine learning, such as minimizing classification loss and discrepancy in treating different…

机器学习 · 计算机科学 2022-09-16 Eric Enouen , Katja Mathesius , Sean Wang , Arielle Carr , Sihong Xie

Multimodal information processing has become increasingly important for enhancing image classification performance. However, the intricate and implicit dependencies across different modalities often hinder conventional methods from…

计算机视觉与模式识别 · 计算机科学 2025-05-30 Yang Qiao , Xiaoyu Zhong , Xiaofeng Gu , Zhiguo Yu

We present MultiGain, a tool to synthesize strategies for Markov decision processes (MDPs) with multiple mean-payoff objectives. Our models are described in PRISM, and our tool uses the existing interface and simulator of PRISM. Our tool…

人工智能 · 计算机科学 2015-01-14 Tomáš Brázdil , Krishnendu Chatterjee , Vojtěch Forejt , Antonín Kučera

Graph neural networks (GNNs) have achieved great success for a variety of tasks such as node classification, graph classification, and link prediction. However, the use of GNNs (and machine learning more generally) to solve combinatorial…

机器学习 · 计算机科学 2024-11-26 Frederik Wenkel , Semih Cantürk , Stefan Horoi , Michael Perlmutter , Guy Wolf

Personalized recommender systems fulfill the daily demands of customers and boost online businesses. The goal is to learn a policy that can generate a list of items that matches the user's demand or interest. While most existing methods…

信息检索 · 计算机科学 2023-06-12 Shuchang Liu , Qingpeng Cai , Zhankui He , Bowen Sun , Julian McAuley , Dong Zheng , Peng Jiang , Kun Gai

Deep Convolutional Neural Networks (DCNNs) and their variants have been widely used in large scale face recognition(FR) recently. Existing methods have achieved good performance on many FR benchmarks. However, most of them suffer from two…

计算机视觉与模式识别 · 计算机科学 2021-06-28 Jing Xu , Tszhang Guo , Yong Xu , Zenglin Xu , Kun Bai

This paper provides a novel framework for solving multiobjective discrete optimization problems with an arbitrary number of objectives. Our framework formulates these problems as network models, in that enumerating the Pareto frontier…

最优化与控制 · 数学 2018-09-06 David Bergman , Merve Bodur , Carlos Cardonha , Andre A. Cire

Recently, more and more works have proposed to drive evolutionary algorithms using machine learning models.Usually, the performance of such model based evolutionary algorithms is highly dependent on the training qualities of the adopted…

神经与进化计算 · 计算机科学 2020-04-08 Cheng He , Shihua Huang , Ran Cheng , Kay Chen Tan , Yaochu Jin

Multi-objective optimization (MOO) problems require balancing competing objectives, often under constraints. The Pareto optimal solution set defines all possible optimal trade-offs over such objectives. In this work, we present a novel…

机器学习 · 计算机科学 2022-04-19 Soumyajit Gupta , Gurpreet Singh , Raghu Bollapragada , Matthew Lease

Efficiently solving multi-objective optimization problems for simulation optimization of important scientific and engineering applications such as materials design is becoming an increasingly important research topic. This is due largely to…

人工智能 · 计算机科学 2023-06-27 Eric Hans Lee , Bolong Cheng , Michael McCourt

Constrained multiobjective optimization has gained much interest in the past few years. However, constrained multiobjective optimization problems (CMOPs) are still unsatisfactorily understood. Consequently, the choice of adequate CMOPs for…

神经与进化计算 · 计算机科学 2023-02-07 Aljoša Vodopija , Tea Tušar , Bogdan Filipič

To ensure the reliability of DNN systems and address the test generation problem for neural networks, this paper proposes a fuzzing test generation technique based on many-objective optimization algorithms. Traditional fuzz testing employs…

软件工程 · 计算机科学 2024-11-05 Dongcheng Li , W. Eric Wong , Hu Liu , Man Zhao

Recent deep reinforcement learning methods have achieved remarkable success in solving multi-objective combinatorial optimization problems (MOCOPs) by decomposing them into multiple subproblems, each associated with a specific weight…

人工智能 · 计算机科学 2026-03-23 Mingfeng Fan , Jianan Zhou , Yifeng Zhang , Yaoxin Wu , Jinbiao Chen , Guillaume Adrien Sartoretti