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The success of machine learning solutions for reasoning about discrete structures has brought attention to its adoption within combinatorial optimization algorithms. Such approaches generally rely on supervised learning by leveraging…

Machine Learning · Computer Science 2022-03-17 Ismail R. Alkhouri , George K. Atia , Alvaro Velasquez

There are many frameworks for deep generative modeling, each often presented with their own specific training algorithms and inference methods. Here, we demonstrate the connections between existing deep generative models and the recently…

Machine Learning · Computer Science 2023-02-01 Dinghuai Zhang , Ricky T. Q. Chen , Nikolay Malkin , Yoshua Bengio

Generative Flow Networks (GFlowNets; GFNs) are a family of energy-based generative methods for combinatorial objects, capable of generating diverse and high-utility samples. However, consistently biasing GFNs towards producing high-utility…

Machine Learning · Computer Science 2024-11-04 Elaine Lau , Stephen Zhewen Lu , Ling Pan , Doina Precup , Emmanuel Bengio

This paper proposes a novel hybrid neuro-symbolic framework for the optimal and scalable deployment of component-based applications in the Cloud. The challenge of efficiently mapping application components to virtual machines (VMs) across…

Logic in Computer Science · Computer Science 2025-12-01 Madalina Erascu

Generative flow networks (GFlowNets) are amortized variational inference algorithms that treat sampling from a distribution over compositional objects as a sequential decision-making problem with a learnable action policy. Unlike other…

Unitary Synthesis, the decomposition of a unitary matrix into a sequence of quantum gates, is a fundamental challenge in quantum compilation. Prevailing reinforcement learning (RL) approaches are often hampered by sparse reward signals,…

Quantum Physics · Physics 2026-03-05 Inhoe Koo , Hyunho Cha , Jungwoo Lee

Chronic Obstructive Pulmonary Disorder (COPD) is a prevalent respiratory disease that significantly impacts the quality of life of affected individuals. This paper presents COPDFlowNet, a novel deep-learning framework that leverages a…

Machine Learning · Computer Science 2023-12-20 Aryan Tyagi , Aryaman Rao , Shubhanshu Rao , Raj Kumar Singh

The challenge of discovering new molecules with desired properties is crucial in domains like drug discovery and material design. Recent advances in deep learning-based generative methods have shown promise but face the issue of sample…

Biomolecules · Quantitative Biology 2024-12-31 Hyeonah Kim , Minsu Kim , Sanghyeok Choi , Jinkyoo Park

Algorithm selection using Metalearning aims to find mappings between problem characteristics (i.e. metafeatures) with relative algorithm performance to predict the best algorithm(s) for new datasets. Therefore, it is of the utmost…

Information Retrieval · Computer Science 2018-09-18 Tiago Cunha , Carlos Soares , André C. P. L. F. de Carvalho

Recently, machine learning, particularly message-passing graph neural networks (MPNNs), has gained traction in enhancing exact optimization algorithms. For example, MPNNs speed up solving mixed-integer optimization problems by imitating…

Machine Learning · Computer Science 2023-10-17 Chendi Qian , Didier Chételat , Christopher Morris

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 models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular motifs, they often produce synthetically inaccessible molecules. To address this, we introduce…

Emerging applications of machine learning in numerous areas involve continuous gathering of and learning from streams of data. Real-time incorporation of streaming data into the learned models is essential for improved inference in these…

Machine Learning · Computer Science 2020-12-01 Matthew Nokleby , Haroon Raja , Waheed U. Bajwa

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Combinatorial Optimisation problems arise in several application domains and are often formulated in terms of graphs. Many of these problems are NP-hard, but exact solutions are not always needed. Several heuristics have been developed to…

Machine Learning · Computer Science 2022-05-23 David Ireland , Giovanni Montana

Multi-task reinforcement learning and meta-reinforcement learning have been developed to quickly adapt to new tasks, but they tend to focus on tasks with higher rewards and more frequent occurrences, leading to poor performance on tasks…

Machine Learning · Computer Science 2023-06-19 Xinyuan Ji , Xu Zhang , Wei Xi , Haozhi Wang , Olga Gadyatskaya , Yinchuan Li

Recently, message-passing graph neural networks (MPNNs) have shown potential for solving combinatorial and continuous optimization problems due to their ability to capture variable-constraint interactions. While existing approaches leverage…

Artificial Intelligence · Computer Science 2025-02-05 Chendi Qian , Christopher Morris

This survey provides an examination of the use of Deep Neural Networks (DNN) in Collaborative Filtering (CF) recommendation systems. As the digital world increasingly relies on data-driven approaches, traditional CF techniques face…

Artificial Intelligence · Computer Science 2024-12-03 Pang Li , Shahrul Azman Mohd Noah , Hafiz Mohd Sarim

Machine learning (ML) approaches are increasingly being used to accelerate combinatorial optimization (CO) problems. We investigate the Set Cover Problem (SCP) and propose Graph-SCP, a graph neural network method that augments existing…

Machine Learning · Computer Science 2025-10-10 Zohair Shafi , Benjamin A. Miller , Tina Eliassi-Rad , Rajmonda S. Caceres

In recent years, there has been a growing interest in using learning-based approaches for solving combinatorial problems, either in an end-to-end manner or in conjunction with traditional optimization algorithms. In both scenarios, the…

Machine Learning · Computer Science 2024-03-14 Léo Boisvert , Hélène Verhaeghe , Quentin Cappart