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We propose a theoretical framework for training Graph Neural Networks (GNNs) on large input graphs via training on small, fixed-size sampled subgraphs. This framework is applicable to a wide range of models, including popular sampling-based…

Machine Learning · Computer Science 2023-10-18 Yeganeh Alimohammadi , Luana Ruiz , Amin Saberi

Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited…

Machine Learning · Computer Science 2023-10-23 Yaorui Shi , An Zhang , Enzhi Zhang , Zhiyuan Liu , Xiang Wang

Language Models (LMs) are increasingly challenging the dominance of domain-specific models, such as Graph Neural Networks (GNNs) and Graph Transformers (GTs), in graph learning tasks. Following this trend, we propose a novel approach that…

Computation and Language · Computer Science 2026-01-27 Zhe Xu , Kaveh Hassani , Si Zhang , Hanqing Zeng , Michihiro Yasunaga , Limei Wang , Dongqi Fu , Ning Yao , Bo Long , Hanghang Tong

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

How to properly model graphs is a long-existing and important problem in NLP area, where several popular types of graphs are knowledge graphs, semantic graphs and dependency graphs. Comparing with other data structures, such as sequences…

Computation and Language · Computer Science 2019-07-16 Linfeng Song

Graph Neural Networks (GNNs) have achieved remarkable success in diverse real-world applications. Traditional GNNs are designed based on homophily, which leads to poor performance under heterophily scenarios. Current solutions deal with…

Social and Information Networks · Computer Science 2023-01-26 Fengzhao Shi , Ren Li , Yanan Cao , Yanmin Shang , Lanxue Zhang , Chuan Zhou , Jia Wu , Shirui Pan

In many real-world scenarios (e.g., academic networks, social platforms), different types of entities are not only associated with texts but also connected by various relationships, which can be abstracted as Text-Attributed Heterogeneous…

Computation and Language · Computer Science 2023-10-24 Tao Zou , Le Yu , Yifei Huang , Leilei Sun , Bowen Du

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the…

Previous works have shown that contextual information can improve the performance of neural machine translation (NMT). However, most existing document-level NMT methods only consider a few number of previous sentences. How to make use of…

Computation and Language · Computer Science 2021-09-15 Mingzhou Xu , Liangyou Li , Derek. F. Wong , Qun Liu , Lidia S. Chao

Graph neural networks (GNNs) have achieved great success in many scenarios with graph-structured data. However, in many real applications, there are three issues when applying GNNs: graphs are unknown, nodes have noisy features, and graphs…

Machine Learning · Computer Science 2022-10-11 Yixiang Shan , Jielong Yang , Xing Liu , Yixing Gao , Hechang Chen , Shuzhi Sam Ge

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

In the era of personalized education, the provision of comprehensible explanations for learning recommendations is of a great value to enhance the learner's understanding and engagement with the recommended learning content. Large language…

Artificial Intelligence · Computer Science 2025-01-23 Hasan Abu-Rasheed , Christian Weber , Madjid Fathi

Graph neural networks (GNNs) emerge as a powerful family of representation learning models on graphs. To derive node representations, they utilize a global model that recursively aggregates information from the neighboring nodes. However,…

Machine Learning · Computer Science 2021-11-04 Zemin Liu , Yuan Fang , Chenghao Liu , Steven C. H. Hoi

Recently Graph Neural Network (GNN) has been applied successfully to various NLP tasks that require reasoning, such as multi-hop machine reading comprehension. In this paper, we consider a novel case where reasoning is needed over graphs…

Computation and Language · Computer Science 2020-04-13 Ming Tu , Jing Huang , Xiaodong He , Bowen Zhou

While great success has been achieved in building vision models with Contrastive Language-Image Pre-training (CLIP) over internet-scale image-text pairs, building transferable Graph Neural Networks (GNNs) with CLIP pipeline is challenging…

Machine Learning · Computer Science 2025-06-03 Zihao Li , Lecheng Zheng , Bowen Jin , Dongqi Fu , Baoyu Jing , Yikun Ban , Jingrui He , Jiawei Han

Graph neural networks (GNNs), as the de-facto model class for representation learning on graphs, are built upon the multi-layer perceptrons (MLP) architecture with additional message passing layers to allow features to flow across nodes.…

Machine Learning · Computer Science 2023-08-07 Chenxiao Yang , Qitian Wu , Jiahua Wang , Junchi Yan

Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or…

Machine Learning · Computer Science 2021-10-28 Mucong Ding , Kezhi Kong , Jingling Li , Chen Zhu , John P Dickerson , Furong Huang , Tom Goldstein

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Ensuring proper generalization is a critical challenge in applying data-driven methods for solving inverse problems in imaging, as neural networks reconstructing an image must perform well across varied datasets and acquisition geometries.…

Image and Video Processing · Electrical Eng. & Systems 2025-11-18 Emilien Valat , Ozan Öktem

Task planning in language agents is emerging as an important research topic alongside the development of large language models (LLMs). It aims to break down complex user requests in natural language into solvable sub-tasks, thereby…

Machine Learning · Computer Science 2024-10-29 Xixi Wu , Yifei Shen , Caihua Shan , Kaitao Song , Siwei Wang , Bohang Zhang , Jiarui Feng , Hong Cheng , Wei Chen , Yun Xiong , Dongsheng Li
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