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Pre-trained Large Language Models (LLMs) encapsulate large amounts of knowledge and take enormous amounts of compute to train. We make use of this resource, together with the observation that LLMs are able to transfer knowledge and…

Machine Learning · Computer Science 2025-01-14 Malcolm L. Wolff , Shenghao Yang , Kari Torkkola , Michael W. Mahoney

Graph self-supervised learning (SSL) is now a go-to method for pre-training graph foundation models (GFMs). There is a wide variety of knowledge patterns embedded in the graph data, such as node properties and clusters, which are crucial to…

Machine Learning · Computer Science 2025-05-15 Ziwen Zhao , Yixin Su , Yuhua Li , Yixiong Zou , Ruixuan Li , Rui Zhang

Graph neural networks (GNNs) are often trained on individual datasets, requiring specialized models and significant hyperparameter tuning due to the unique structures and features of each dataset. This approach limits the scalability and…

Machine Learning · Computer Science 2026-02-17 Divyansha Lachi , Mehdi Azabou , Vinam Arora , Eva Dyer

Graph-based personality detection constructs graph structures from textual data, particularly social media posts. Current methods often struggle with sparse or noisy data and rely on static graphs, limiting their ability to capture dynamic…

Computation and Language · Computer Science 2025-04-04 Lingzhi Shen , Yunfei Long , Xiaohao Cai , Guanming Chen , Yuhan Wang , Imran Razzak , Shoaib Jameel

Text-attributed graphs (TAGs) are prevalent on the web and research over TAGs such as citation networks, e-commerce networks and social networks has attracted considerable attention in the web community. Recently, large language models…

Computation and Language · Computer Science 2024-03-12 Yijian Qin , Xin Wang , Ziwei Zhang , Wenwu Zhu

Large Language Models (LLMs) have demonstrated strong capabilities in various natural language processing tasks; however, their application to graph-related problems remains limited, primarily due to scalability constraints and the absence…

Machine Learning · Computer Science 2025-05-08 Hyun Lee , Chris Yi , Maminur Islam , B. D. S. Aritra

Unsupervised pre-training is now the predominant approach for both text and speech understanding. Self-attention models pre-trained on large amounts of unannotated data have been hugely successful when fine-tuned on downstream tasks from a…

Computation and Language · Computer Science 2021-10-22 Ankur Bapna , Yu-an Chung , Nan Wu , Anmol Gulati , Ye Jia , Jonathan H. Clark , Melvin Johnson , Jason Riesa , Alexis Conneau , Yu Zhang

Large Language Models (LLMs) have recently driven significant advancements in Natural Language Processing and various other applications. While a broad range of literature has explored the graph-reasoning capabilities of LLMs, including…

Computation and Language · Computer Science 2025-06-09 Shenyang Huang , Ali Parviz , Emma Kondrup , Zachary Yang , Zifeng Ding , Michael Bronstein , Reihaneh Rabbany , Guillaume Rabusseau

There have been various types of pretraining architectures including autoencoding models (e.g., BERT), autoregressive models (e.g., GPT), and encoder-decoder models (e.g., T5). However, none of the pretraining frameworks performs the best…

Computation and Language · Computer Science 2022-03-18 Zhengxiao Du , Yujie Qian , Xiao Liu , Ming Ding , Jiezhong Qiu , Zhilin Yang , Jie Tang

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In…

Quantitative Methods · Quantitative Biology 2021-10-19 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Chee-Kong Lee

Pre-trained language models have recently emerged as a powerful tool for fine-tuning a variety of language tasks. Ideally, when models are pre-trained on large amount of data, they are expected to gain implicit knowledge. In this paper, we…

Computation and Language · Computer Science 2023-06-22 Mohamad Ballout , Ulf Krumnack , Gunther Heidemann , Kai-Uwe Kühnberger

Graphs are able to model interconnected entities in many online services, supporting a wide range of applications on the Web. This raises an important question: How can we train a graph foundational model on multiple source domains and…

Computation and Language · Computer Science 2025-04-15 Xingtong Yu , Zechuan Gong , Chang Zhou , Yuan Fang , Hui Zhang

Graphs have become an important modeling tool for web applications, and Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, the performance of traditional GNNs heavily relies on a large amount…

Machine Learning · Computer Science 2024-06-05 Chenghua Gong , Xiang Li , Jianxiang Yu , Cheng Yao , Jiaqi Tan , Chengcheng Yu

The advancement of Large Language Models (LLMs) has remarkably pushed the boundaries towards artificial general intelligence (AGI), with their exceptional ability on understanding diverse types of information, including but not limited to…

Computation and Language · Computer Science 2023-10-10 Ziwei Chai , Tianjie Zhang , Liang Wu , Kaiqiao Han , Xiaohai Hu , Xuanwen Huang , Yang Yang

Designing accurate deep learning models for molecular property prediction plays an increasingly essential role in drug and material discovery. Recently, due to the scarcity of labeled molecules, self-supervised learning methods for learning…

Biomolecules · Quantitative Biology 2022-06-08 Han Li , Dan Zhao , Jianyang Zeng

In this work, we aim at equipping pre-trained language models with structured knowledge. We present two self-supervised tasks learning over raw text with the guidance from knowledge graphs. Building upon entity-level masked language models,…

Computation and Language · Computer Science 2020-04-30 Tao Shen , Yi Mao , Pengcheng He , Guodong Long , Adam Trischler , Weizhu Chen

Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding…

Machine Learning · Computer Science 2022-08-23 Dawei Zhou , Lecheng Zheng , Dongqi Fu , Jiawei Han , Jingrui He

This paper introduces a novel approach for identifying the possible large language models (LLMs) involved in text generation. Instead of adding an additional classification layer to a base LM, we reframe the classification task as a…

Computation and Language · Computer Science 2024-02-08 Yutian Chen , Hao Kang , Vivian Zhai , Liangze Li , Rita Singh , Bhiksha Raj

Retrosynthesis prediction is one of the fundamental challenges in organic chemistry and related fields. The goal is to find reactants molecules that can synthesize product molecules. To solve this task, we propose a new graph-to-graph…

Quantitative Methods · Quantitative Biology 2022-04-20 Zaiyun Lin , Shiqiu Yin , Lei Shi , Wenbiao Zhou , YingSheng Zhang

In this paper, we investigate self-supervised pre-training methods for document text recognition. Nowadays, large unlabeled datasets can be collected for many research tasks, including text recognition, but it is costly to annotate them.…

Computer Vision and Pattern Recognition · Computer Science 2024-05-02 Martin Kišš , Michal Hradiš