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Graphs serve as generic tools to encode the underlying relational structure of data. Often this graph is not given, and so the task of inferring it from nodal observations becomes important. Traditional approaches formulate a convex inverse…

Machine Learning · Computer Science 2024-06-24 Max Wasserman , Gonzalo Mateos

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

Due to the increasing complexity of Integrated Circuits (ICs) and System-on-Chip (SoC), developing high-quality synthesis flows within a short market time becomes more challenging. We propose a general approach that precisely estimates the…

Machine Learning · Computer Science 2018-11-16 Cunxi Yu , Wang Zhou

Continual Learning (CL) is the process of learning ceaselessly a sequence of tasks. Most existing CL methods deal with independent data (e.g., images and text) for which many benchmark frameworks and results under standard experimental…

Machine Learning · Computer Science 2024-10-31 Jihoon Ko , Shinhwan Kang , Taehyung Kwon , Heechan Moon , Kijung Shin

To accurately study chemical reactions in the condensed phase or within enzymes, both a quantum-mechanical description and sufficient configurational sampling is required to reach converged estimates. Here, quantum mechanics/molecular…

Chemical Physics · Physics 2022-10-05 Albert Hofstetter , Lennard Böselt , Sereina Riniker

Graph Neural Networks (GNNs) are popular deep learning models designed to process graph-structured data through recursive neighborhood aggregations in the message passing process. When applied to semi-supervised node classification, the…

Machine Learning · Computer Science 2025-01-13 Kevin Mancini , Islem Rekik

Self-supervised learning (SSL) has shown great promise in graph representation learning. However, most existing graph SSL methods are developed and evaluated under a single-dataset setting, leaving their cross-dataset transferability…

Machine Learning · Computer Science 2025-09-10 Yu Song , Zhigang Hua , Yan Xie , Jingzhe Liu , Bo Long , Hui Liu

This study presents a multi-stage approach to mental health classification by leveraging traditional machine learning algorithms, deep learning architectures, and transformer-based models. A novel data set was curated and utilized to…

Artificial Intelligence · Computer Science 2025-04-11 Korhan Sevinç

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

Lifelong graph learning deals with the problem of continually adapting graph neural network (GNN) models to changes in evolving graphs. We address two critical challenges of lifelong graph learning in this work: dealing with new classes and…

Machine Learning · Computer Science 2023-05-10 Lukas Galke , Iacopo Vagliano , Benedikt Franke , Tobias Zielke , Marcel Hoffmann , Ansgar Scherp

Continual learning has emerged as a crucial paradigm for learning from sequential data while preserving previous knowledge. In the realm of continual graph learning, where graphs continuously evolve based on streaming graph data, continual…

Machine Learning · Computer Science 2024-08-20 Jianhao Guo , Zixuan Ni , Yun Zhu , Siliang Tang

The multi-scale nature of gaseous flows poses tremendous difficulties for theoretical and numerical analysis. The Boltzmann equation, while possessing a wider applicability than hydrodynamic equations, requires significantly more…

Fluid Dynamics · Physics 2023-07-19 Tianbai Xiao , Steffen Schotthöfer , Martin Frank

Graph representation learning on Analog-Mixed Signal (AMS) circuits is crucial for various downstream tasks, e.g., parasitic estimation. However, the scarcity of design data, the unbalanced distribution of labels, and the inherent diversity…

Machine Learning · Computer Science 2025-10-13 Shan Shen , Shenglu Hua , Jiajun Zou , Jiawei Liu , Jianwang Zhai , Chuan Shi , Wenjian Yu

In recent years, continual learning (CL) techniques have made significant progress in learning from streaming data while preserving knowledge across sequential tasks, particularly in the realm of euclidean data. To foster fair evaluation…

Machine Learning · Computer Science 2024-06-10 Tianqi Zhao , Alan Hanjalic , Megha Khosla

Estimating fluid dynamics is classically done through the simulation and integration of numerical models solving the Navier-Stokes equations, which is computationally complex and time-consuming even on high-end hardware. This is a…

Machine Learning · Computer Science 2023-03-20 Steeven Janny , Aurélien Béneteau , Madiha Nadri , Julie Digne , Nicolas Thome , Christian Wolf

Current state-of-the-art systems for sequence labeling are typically based on the family of Recurrent Neural Networks (RNNs). However, the shallow connections between consecutive hidden states of RNNs and insufficient modeling of global…

Computation and Language · Computer Science 2019-06-07 Yijin Liu , Fandong Meng , Jinchao Zhang , Jinan Xu , Yufeng Chen , Jie Zhou

Continual Graph Learning (CGL) enables models to incrementally learn from streaming graph-structured data without forgetting previously acquired knowledge. Experience replay is a common solution that reuses a subset of past samples during…

Machine Learning · Computer Science 2026-03-31 Qiao Yuan , Sheng-Uei Guan , Pin Ni , Tianlun Luo , Ka Lok Man , Prudence Wong , Victor Chang

Deep graph learning has gained grand popularity over the past years due to its versatility and success in representing graph data across a wide range of domains. However, the pervasive issue of imbalanced graph data distributions, where…

Machine Learning · Computer Science 2025-03-04 Jiawen Qin , Haonan Yuan , Qingyun Sun , Lyujin Xu , Jiaqi Yuan , Pengfeng Huang , Zhaonan Wang , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

Graph Neural Networks (GNNs) have recently received significant research attention due to their superior performance on a variety of graph-related learning tasks. Most of the current works focus on either static or dynamic graph settings,…

Machine Learning · Computer Science 2021-02-09 Fan Zhou , Chengtai Cao

Graph Transformers, which incorporate self-attention and positional encoding, have recently emerged as a powerful architecture for various graph learning tasks. Despite their impressive performance, the complex non-convex interactions…

Machine Learning · Computer Science 2024-06-05 Hongkang Li , Meng Wang , Tengfei Ma , Sijia Liu , Zaixi Zhang , Pin-Yu Chen
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