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Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework…

Machine Learning · Computer Science 2025-06-13 Mohit Pandey , Gopeshh Subbaraj , Artem Cherkasov , Martin Ester , Emmanuel Bengio

Graph Neural Networks (GNNs) have achieved tremendous success in a variety of real-world applications by relying on the fixed graph data as input. However, the initial input graph might not be optimal in terms of specific downstream tasks,…

Machine Learning · Computer Science 2023-09-22 Beidi Zhao , Boxin Du , Zhe Xu , Liangyue Li , Hanghang Tong

We consider the question of speeding up classic graph algorithms with machine-learned predictions. In this model, algorithms are furnished with extra advice learned from past or similar instances. Given the additional information, we aim to…

Data Structures and Algorithms · Computer Science 2022-04-27 Justin Y. Chen , Sandeep Silwal , Ali Vakilian , Fred Zhang

In recent years, Graph Neural Networks (GNNs) have been utilized for various applications ranging from drug discovery to network design and social networks. In many applications, it is impossible to observe some properties of the graph…

Machine Learning · Computer Science 2025-03-12 Moshe Eliasof , Md Shahriar Rahim Siddiqui , Carola-Bibiane Schönlieb , Eldad Haber

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…

Machine Learning · Computer Science 2026-05-29 Seokwon Yoon , Youngbin Choi , Seunghyuk Cho , Seungbeom Lee , MoonJeong Park , Dongwoo Kim

Graph neural networks have been successful in many learning problems and real-world applications. A recent line of research explores the power of graph neural networks to solve combinatorial and graph algorithmic problems such as subgraph…

Machine Learning · Computer Science 2021-08-20 Reyan Ahmed , Md Asadullah Turja , Faryad Darabi Sahneh , Mithun Ghosh , Keaton Hamm , Stephen Kobourov

Graph neural networks have become one of the most important techniques to solve machine learning problems on graph-structured data. Recent work on vertex classification proposed deep and distributed learning models to achieve high…

Machine Learning · Statistics 2019-05-28 Hoang NT , Takanori Maehara

Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph…

Given a flow network with variable suppliers and fixed consumers, the minimax flow problem consists in minimizing the maximum flow between nodes, subject to flow conservation and capacity constraints. We solve this problem over acyclic…

Systems and Control · Electrical Eng. & Systems 2022-07-12 Marco Coraggio , Saber Jafarpour , Francesco Bullo , Mario di Bernardo

Graph Neural Networks (GNNs) are powerful tools for addressing learning problems on graph structures, with a wide range of applications in molecular biology and social networks. However, the theoretical foundations underlying their…

Machine Learning · Computer Science 2025-01-27 Dhiraj Patel , Anton Savostianov , Michael T. Schaub

Shortest path queries over graphs are usually considered as isolated tasks, where the goal is to return the shortest path for each individual query. In practice, however, such queries are typically part of a system (e.g., a road network)…

Databases · Computer Science 2021-10-20 Chris Conlan , Teddy Cunningham , Gunduz Vehbi Demirci , Hakan Ferhatosmanoglu

Let $G$ be an edge-weighted directed graph with $n$ vertices embedded on an orientable surface of genus $g$. We describe a simple deterministic lexicographic perturbation scheme that guarantees uniqueness of minimum-cost flows and shortest…

Data Structures and Algorithms · Computer Science 2018-04-04 Jeff Erickson , Kyle Fox , Luvsandondov Lkhamsuren

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their…

Machine Learning · Computer Science 2025-05-06 Tianshu Yu

In this paper, we propose a graph neural network architecture to solve the AC power flow problem under realistic constraints. To ensure a safe and resilient operation of distribution grids, AC power flow calculations are the means of choice…

Machine Learning · Computer Science 2023-08-31 Luis Böttcher , Hinrikus Wolf , Bastian Jung , Philipp Lutat , Marc Trageser , Oliver Pohl , Andreas Ulbig , Martin Grohe

Generative Flow Networks (GFlowNets) are amortized inference models designed to sample from unnormalized distributions over composable objects, with applications in generative modeling for tasks in fields such as causal discovery, NLP, and…

Machine Learning · Computer Science 2026-04-13 Tiago da Silva , Eliezer de Souza da Silva , Diego Mesquita

The paper presents a dynamic solution method for dynamic minimum parametric networks flow. The solution method solves the problem for a special parametric dynamic network with linear lower bound functions of a single parameter. Instead…

Discrete Mathematics · Computer Science 2015-09-15 Mircea Parpalea , Nicoleta Avesalon , Eleonor Ciurea

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Machine Learning · Computer Science 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…

Machine Learning · Computer Science 2023-11-08 Elaine Lau , Nikhil Vemgal , Doina Precup , Emmanuel Bengio

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler