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Graph self-supervised learning has gained increasing attention due to its capacity to learn expressive node representations. Many pretext tasks, or loss functions have been designed from distinct perspectives. However, we observe that…

Machine Learning · Computer Science 2022-03-23 Wei Jin , Xiaorui Liu , Xiangyu Zhao , Yao Ma , Neil Shah , Jiliang Tang

Graph Machine Learning (GML) with Graph Databases (GDBs) has gained significant relevance in recent years, due to its ability to handle complex interconnected data and apply ML techniques using Graph Data Science (GDS). However, a critical…

Databases · Computer Science 2026-01-22 Rosario Napoli , Antonio Celesti , Massimo Villari , Maria Fazio

Graph Neural Networks (GNNs) have become the state-of-the-art method for many applications on graph structured data. GNNs are a model for graph representation learning, which aims at learning to generate low dimensional node embeddings that…

Machine Learning · Computer Science 2022-05-23 Davide Buffelli , Fabio Vandin

Deep neural networks have led to a series of breakthroughs in computer vision given sufficient annotated training datasets. For novel tasks with limited labeled data, the prevalent approach is to transfer the knowledge learned in the…

Computer Vision and Pattern Recognition · Computer Science 2018-10-31 Yi Zhu , Jia Xue , Shawn Newsam

Constructing appropriate representations of molecules lies at the core of numerous tasks such as material science, chemistry and drug designs. Recent researches abstract molecules as attributed graphs and employ graph neural networks (GNN)…

Machine Learning · Computer Science 2021-07-29 Jianwen Chen , Shuangjia Zheng , Ying Song , Jiahua Rao , Yuedong Yang

Graph neural architecture search (NAS) has gained popularity in automatically designing powerful graph neural networks (GNNs) with relieving human efforts. However, existing graph NAS methods mainly work under the homophily assumption and…

Machine Learning · Computer Science 2023-02-27 Xin Zheng , Miao Zhang , Chunyang Chen , Qin Zhang , Chuan Zhou , Shirui Pan

Inverse design in science and engineering involves determining optimal design parameters that achieve desired performance outcomes, a process often hindered by the complexity and high dimensionality of design spaces, leading to significant…

Machine Learning · Computer Science 2025-02-24 Luka Grbcic , Juliane Müller , Wibe Albert de Jong

Graph data is ubiquitous in academia and industry, from social networks to bioinformatics. The pervasiveness of graphs today has raised the demand for algorithms that can answer various questions: Which products would a user like to…

Machine Learning · Computer Science 2020-12-01 Minji Yoon , Théophile Gervet , Bryan Hooi , Christos Faloutsos

Tabular data prediction (TDP) is one of the most popular industrial applications, and various methods have been designed to improve the prediction performance. However, existing works mainly focus on feature interactions and ignore sample…

Machine Learning · Computer Science 2021-08-23 Xiawei Guo , Yuhan Quan , Huan Zhao , Quanming Yao , Yong Li , Weiwei Tu

Recent advances in multimodal large language models (LLMs) have revolutionized web agents that can automate complex tasks on websites. However, their accuracy remains limited by the scarcity of high-quality web trajectory training data.…

Artificial Intelligence · Computer Science 2026-05-01 Fazle Elahi Faisal , Qianhui Wu , Baolin Peng , Jianfeng Gao

The past decade has amply demonstrated the remarkable functionality that can be realized by learning complex input/output relationships. Algorithmically, one of the most important and opaque relationships is that between a problem's…

Robotics · Computer Science 2022-08-01 Simon Odense , Kamal Gupta , William G. Macready

State-of-the-art named entity recognition (NER) systems have been improving continuously using neural architectures over the past several years. However, many tasks including NER require large sets of annotated data to achieve such…

Machine Learning · Computer Science 2020-01-22 Parminder Bhatia , Kristjan Arumae , Busra Celikkaya

An important goal of AutoML is to automate-away the design of neural networks on new tasks in under-explored domains. Motivated by this goal, we study the problem of enabling users to discover the right neural operations given data from…

Machine Learning · Computer Science 2021-11-05 Nicholas Roberts , Mikhail Khodak , Tri Dao , Liam Li , Christopher Ré , Ameet Talwalkar

We consider the use of automated supervised learning systems for data tables that not only contain numeric/categorical columns, but one or more text fields as well. Here we assemble 18 multimodal data tables that each contain some text…

Machine Learning · Computer Science 2021-11-05 Xingjian Shi , Jonas Mueller , Nick Erickson , Mu Li , Alexander J. Smola

AutoGluon-Multimodal (AutoMM) is introduced as an open-source AutoML library designed specifically for multimodal learning. Distinguished by its exceptional ease of use, AutoMM enables fine-tuning of foundation models with just three lines…

Machine Learning · Computer Science 2024-05-02 Zhiqiang Tang , Haoyang Fang , Su Zhou , Taojiannan Yang , Zihan Zhong , Tony Hu , Katrin Kirchhoff , George Karypis

Multi-Task Learning (MTL) has shown its importance at user products for fast training, data efficiency, reduced overfitting etc. MTL achieves it by sharing the network parameters and training a network for multiple tasks simultaneously.…

Machine Learning · Computer Science 2022-12-08 Brijraj Singh , Swati Gupta , Mayukh Das , Praveen Doreswamy Naidu , Sharan Kumar Allur

We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem…

Machine Learning · Computer Science 2022-09-19 Zixun Lan , Limin Yu , Linglong Yuan , Zili Wu , Qiang Niu , Fei Ma

Graph neural networks (GNNs) are powerful machine learning models designed to handle irregularly structured data. However, their generic design often proves inadequate for analyzing brain connectomes in Alzheimer's Disease (AD),…

Machine Learning · Computer Science 2024-12-10 Zhepeng Wang , Runxue Bao , Yawen Wu , Guodong Liu , Lei Yang , Liang Zhan , Feng Zheng , Weiwen Jiang , Yanfu Zhang

AutoIntent is an automated machine learning tool for text classification tasks. Unlike existing solutions, AutoIntent offers end-to-end automation with embedding model selection, classifier optimization, and decision threshold tuning, all…

Computation and Language · Computer Science 2026-01-09 Ilya Alekseev , Roman Solomatin , Darina Rustamova , Denis Kuznetsov
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