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Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

This letter proposes a graph neural network (GNN)-based framework for statistical precoder design that leverages model-based insights to compactly represent statistical knowledge, resulting in efficient, lightweight architectures. The…

Information Theory · Computer Science 2024-12-11 Nurettin Turan , Srikar Allaparapu , Donia Ben Amor , Benedikt Böck , Michael Joham , Wolfgang Utschick

An important part of many machine learning workflows on graphs is vertex representation learning, i.e., learning a low-dimensional vector representation for each vertex in the graph. Recently, several powerful techniques for unsupervised…

Machine Learning · Computer Science 2019-01-23 Hooman Peiro Sajjad , Andrew Docherty , Yuriy Tyshetskiy

Graph representation learning has shown superior performance in numerous real-world applications, such as finance and social networks. Nevertheless, most existing works might make discriminatory predictions due to insufficient attention to…

Machine Learning · Computer Science 2024-09-05 Ziyi Zhang , Mingxuan Ouyang , Wanyu Lin , Hao Lan , Lei Yang

To be effective, efficient, and diverse, deep learning models need to dynamically choose its architecture based on signals from a population of neurons. We hypothesize dynamic routing models can be improved with neural inhibition in those…

Machine Learning · Computer Science 2025-07-08 Will Y. Zou , Jennifer Y. Zhang

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

The rapidly growing number and variety of Large Language Models (LLMs) present significant challenges in efficiently selecting the appropriate LLM for a given query, especially considering the trade-offs between performance and…

Artificial Intelligence · Computer Science 2025-03-18 Tao Feng , Yanzhen Shen , Jiaxuan You

Predicting future locations of agents in the scene is an important problem in self-driving. In recent years, there has been a significant progress in representing the scene and the agents in it. The interactions of agents with the scene and…

Computer Vision and Pattern Recognition · Computer Science 2022-07-04 Görkay Aydemir , Adil Kaan Akan , Fatma Güney

This paper proposes a framework that formulates a wide range of graph combinatorial optimization problems using permutation-based representations. These problems include the travelling salesman problem, maximum independent set, maximum cut,…

Artificial Intelligence · Computer Science 2024-10-23 Yimeng Min

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we…

Machine Learning · Computer Science 2021-10-26 Boris Knyazev , Michal Drozdzal , Graham W. Taylor , Adriana Romero-Soriano

Graph representation learning has achieved a remarkable success in many graph-based applications, such as node classification, link prediction, and community detection. These models are usually designed to preserve the vertex information at…

Social and Information Networks · Computer Science 2020-01-22 Kangfei Zhao , Yu Rong , Jeffrey Xu Yu , Junzhou Huang , Hao Zhang

Traffic demand forecasting by deep neural networks has attracted widespread interest in both academia and industry society. Among them, the pairwise Origin-Destination (OD) demand prediction is a valuable but challenging problem due to…

Machine Learning · Computer Science 2022-07-01 Liangzhe Han , Xiaojian Ma , Leilei Sun , Bowen Du , Yanjie Fu , Weifeng Lv , Hui Xiong

This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure.…

Machine Learning · Computer Science 2025-05-23 Wenxuan Zhu , Qiyuan Wu , Tengda Tang , Renzi Meng , Sheng Chai , Xuehui Quan

Recent advances in Machine Learning (ML) have shown a great potential to build data-driven solutions for a plethora of network-related problems. In this context, building fast and accurate network models is essential to achieve functional…

Networking and Internet Architecture · Computer Science 2021-03-17 Miquel Ferriol-Galmés , José Suárez-Varela , Pere Barlet-Ros , Albert Cabellos-Aparicio

Recent advances in neural neighborhood search methods have shown potential in tackling Vehicle Routing Problems (VRPs). However, most existing approaches rely on simplistic state representations and fuse heterogeneous information via naive…

Artificial Intelligence · Computer Science 2025-12-04 Xiangling Chen , Yi Mei , Mengjie Zhang

Preconditioning is at the heart of iterative solutions of large, sparse linear systems of equations in scientific disciplines. Several algebraic approaches, which access no information beyond the matrix itself, are widely studied and used,…

Numerical Analysis · Mathematics 2025-01-28 Jie Chen

Graph neural networks are often used to model interacting dynamical systems since they gracefully scale to systems with a varying and high number of agents. While there has been much progress made for deterministic interacting systems,…

Machine Learning · Computer Science 2023-05-04 Andreas Look , Melih Kandemir , Barbara Rakitsch , Jan Peters

Many combinatorial optimization problems can be phrased in the language of constraint satisfaction problems. We introduce a graph neural network architecture for solving such optimization problems. The architecture is generic; it works for…

Artificial Intelligence · Computer Science 2020-02-12 Jan Toenshoff , Martin Ritzert , Hinrikus Wolf , Martin Grohe

We introduce differentiable indirection -- a novel learned primitive that employs differentiable multi-scale lookup tables as an effective substitute for traditional compute and data operations across the graphics pipeline. We demonstrate…

Graphics · Computer Science 2023-11-21 Sayantan Datta , Carl Marshall , Derek Nowrouzezahrai , Zhao Dong , Zhengqin Li

Solving large complex partial differential equations (PDEs), such as those that arise in computational fluid dynamics (CFD), is a computationally expensive process. This has motivated the use of deep learning approaches to approximate the…

Machine Learning · Computer Science 2020-08-18 Filipe de Avila Belbute-Peres , Thomas D. Economon , J. Zico Kolter