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Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

Hardware Architecture · Computer Science 2021-12-28 Zhihui Zhang , Jingwen Leng , Lingxiao Ma , Youshan Miao , Chao Li , Minyi Guo

The landscape of software engineering is evolving rapidly amidst the digital transformation and the ascendancy of AI, leading to profound shifts in the role and responsibilities of software engineers. This evolution encompasses both…

Software Engineering · Computer Science 2024-07-15 Stefanie Betz , Birgit Penzenstadler

Machine learning methods have a long history of applications in high energy physics (HEP). Recently, there is a growing interest in exploiting these methods to reconstruct particle signatures from raw detector data. In order to benefit from…

High Energy Physics - Phenomenology · Physics 2022-03-17 Javier Duarte , Jean-Roch Vlimant

Information geometric optimization (IGO) is a general framework for stochastic optimization problems aiming at limiting the influence of arbitrary parametrization choices. The initial problem is transformed into the optimization of a smooth…

Optimization and Control · Mathematics 2013-11-07 Jérémy Bensadon

Difficulties in replication and reproducibility of empirical evidences in machine learning research have become a prominent topic in recent years. Ensuring that machine learning research results are sound and reliable requires…

Machine Learning · Computer Science 2024-03-20 Tobias Hille , Maximilian Stubbemann , Tom Hanika

Many problems in science and engineering can be represented by a set of partial differential equations (PDEs) through mathematical modeling. Mechanism-based computation following PDEs has long been an essential paradigm for studying topics…

Machine Learning · Computer Science 2022-11-21 Shudong Huang , Wentao Feng , Chenwei Tang , Jiancheng Lv

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Graph Transformers (GTs) have demonstrated a strong capability in modeling graph structures by addressing the intrinsic limitations of graph neural networks (GNNs), such as over-smoothing and over-squashing. Recent studies have proposed…

Machine Learning · Computer Science 2025-02-28 Chaohao Yuan , Kangfei Zhao , Ercan Engin Kuruoglu , Liang Wang , Tingyang Xu , Wenbing Huang , Deli Zhao , Hong Cheng , Yu Rong

Geometric algebra is an optimal frame work for calculating with vectors. The geometric algebra of a space includes elements that represent all the its subspaces (lines, planes, volumes, ...). Conformal geometric algebra expands this…

Computer Vision and Pattern Recognition · Computer Science 2013-06-07 Eckhard Hitzer

Understanding the inner workings of neural networks, including transformers, remains one of the most challenging puzzles in machine learning. This study introduces a novel approach by applying the principles of gauge symmetries, a key…

Machine Learning · Computer Science 2024-02-06 Koji Hashimoto , Yuji Hirono , Akiyoshi Sannai

Earth Observation (EO) data analysis has been significantly revolutionized by deep learning (DL), with applications typically limited to grid-like data structures. Graph Neural Networks (GNNs) emerge as an important innovation, propelling…

Machine Learning · Computer Science 2024-11-07 Shan Zhao , Zhaiyu Chen , Zhitong Xiong , Yilei Shi , Sudipan Saha , Xiao Xiang Zhu

Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

Machine Learning · Computer Science 2022-09-20 Beni Egressy , Roger Wattenhofer

We propose a totally functional view of geometric matrix completion problem. Differently from existing work, we propose a novel regularization inspired from the functional map literature that is more interpretable and theoretically sound.…

Machine Learning · Computer Science 2020-10-01 Abhishek Sharma , Maks Ovsjanikov

Maintaining competitive advantage is significant in this present day of globalization, knowledge management and enormous economic activities. An organization's future developments are influenced by its managements' decisions. Businesses…

Other Computer Science · Computer Science 2013-07-31 Quist-Aphetsi Kester , Koumadi , Koudjo M , Nii Narku Quaynor

The evolution of artificial intelligence (AI) has profoundly impacted human society, driving significant advancements in multiple sectors. AGI, distinguished by its ability to execute diverse real-world tasks with efficiency and…

Artificial Intelligence · Computer Science 2024-11-26 Tao Feng , Chuanyang Jin , Jingyu Liu , Kunlun Zhu , Haoqin Tu , Zirui Cheng , Guanyu Lin , Jiaxuan You

Deep learning-based methods have revolutionized the field of imaging inverse problems, yielding state-of-the-art performance across various imaging domains. The best performing networks incorporate the imaging operator within the network…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Romain Vo , Julián Tachella

Many complex networks exhibit hierarchical, tree-like structures, making hyperbolic space a natural candidate wherein to learn representations of them. Based on this observation, Hyperbolic Graph Neural Networks (HGNNs) have been widely…

Machine Learning · Computer Science 2026-05-15 Dionisia Naddeo , Jonas Linkerhägner , Nicola Toschi , Geri Skenderi , Veronica Lachi

As artificial intelligence becomes increasingly prevalent in scientific research, data-driven methodologies appear to overshadow traditional approaches in resolving scientific problems. In this Perspective, we revisit a classic…

Artificial Intelligence · Computer Science 2024-06-17 Cheng Wang , Chuwen Wang , Wang Zhang , Shirong Zeng , Yu Zhao , Ronghui Ning , Changjun Jiang

The great success of Physics-Informed Neural Networks (PINN) in solving partial differential equations (PDEs) has significantly advanced our simulation and understanding of complex physical systems in science and engineering. However, many…

Numerical Analysis · Mathematics 2024-09-10 Hao Zhang , Longxiang Jiang , Xinkun Chu , Yong Wen , Luxiong Li , Yonghao Xiao , Liyuan Wang

Partial Differential Equations (PDEs) underpin many scientific phenomena, yet traditional computational approaches often struggle with complex, nonlinear systems and irregular geometries. This paper introduces the AMG method, a Multi-Graph…

Machine Learning · Computer Science 2025-02-10 Zhihao Li , Haoze Song , Di Xiao , Zhilu Lai , Wei Wang