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Obtaining a single-vector representation from a Large Language Model's (LLM) token-level outputs is a critical step for nearly all sentence-level tasks. However, standard pooling methods like mean or max aggregation treat tokens as an…

Machine Learning · Computer Science 2026-03-05 Krishna Sri Ipsit Mantri , Carola-Bibiane Schönlieb , Zorah Lähner , Moshe Eliasof

Large language models~(LLM) like ChatGPT have become indispensable to artificial general intelligence~(AGI), demonstrating excellent performance in various natural language processing tasks. In the real world, graph data is ubiquitous and…

Artificial Intelligence · Computer Science 2023-07-12 Jiayan Guo , Lun Du , Hengyu Liu , Mengyu Zhou , Xinyi He , Shi Han

Graphs provide a unified representation of semantic content and relational structure, making them a natural fit for domains such as molecular modeling, citation networks, and social graphs. Meanwhile, large language models (LLMs) have…

Machine Learning · Computer Science 2026-05-04 Haotian Xu , Yuning You , Tengfei Ma

Graph Neural Networks (GNNs) have empowered the advance in graph-structured data analysis. Recently, the rise of Large Language Models (LLMs) like GPT-4 has heralded a new era in deep learning. However, their application to graph data poses…

Machine Learning · Computer Science 2024-04-12 Runjin Chen , Tong Zhao , Ajay Jaiswal , Neil Shah , Zhangyang Wang

For large language models (LLMs), reasoning over graphs could help solve many problems. Prior work has tried to improve LLM graph reasoning by examining how best to serialize graphs as text and by combining GNNs and LLMs. However, the…

Machine Learning · Computer Science 2025-08-15 Sola Shirai , Kavitha Srinivas , Julian Dolby , Michael Katz , Horst Samulowitz , Shirin Sohrabi

Recent advances in product bundling have leveraged multimodal information through sophisticated encoders, but remain constrained by limited semantic understanding and a narrow scope of knowledge. Therefore, some attempts employ In-context…

Information Retrieval · Computer Science 2025-02-04 Xiaohao Liu , Jie Wu , Zhulin Tao , Yunshan Ma , Yinwei Wei , Tat-seng Chua

Large language models (LLMs) have demonstrated remarkable in-context reasoning capabilities across a wide range of tasks, particularly with unstructured inputs such as language or images. However, LLMs struggle to handle structured data,…

Machine Learning · Computer Science 2025-02-20 Jintang Li , Ruofan Wu , Yuchang Zhu , Huizhe Zhang , Liang Chen , Zibin Zheng

Molecular understanding is central to advancing areas such as scientific discovery, yet Large Language Models (LLMs) struggle to understand molecular graphs effectively. Existing graph-LLM bridges often adapt the Q-Former-style connector…

Machine Learning · Computer Science 2026-03-03 Zihao Jing , Qiuhao Zeng , Ruiyi Fang , Yan Sun , Boyu Wang , Pingzhao Hu

Large Language Models (LLMs) have gained the ability to assimilate human knowledge and facilitate natural language interactions with both humans and other LLMs. However, despite their impressive achievements, LLMs have not made significant…

Computation and Language · Computer Science 2023-10-03 Jianan Zhao , Le Zhuo , Yikang Shen , Meng Qu , Kai Liu , Michael Bronstein , Zhaocheng Zhu , Jian Tang

Text-Attributed Graphs (TAGs) are graphs of connected textual documents. Graph models can efficiently learn TAGs, but their training heavily relies on human-annotated labels, which are scarce or even unavailable in many applications. Large…

Computation and Language · Computer Science 2024-08-07 Bo Pan , Zheng Zhang , Yifei Zhang , Yuntong Hu , Liang Zhao

Large Language Models (LLMs) typically generate outputs token by token using a fixed compute budget, leading to inefficient resource utilization. To address this shortcoming, recent advancements in mixture of expert (MoE) models,…

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge…

Quantitative Methods · Quantitative Biology 2024-06-11 Junfeng Fang , Shuai Zhang , Chang Wu , Zhengyi Yang , Zhiyuan Liu , Sihang Li , Kun Wang , Wenjie Du , Xiang Wang

Graphs are a powerful tool for representing and analyzing complex relationships in real-world applications such as social networks, recommender systems, and computational finance. Reasoning on graphs is essential for drawing inferences…

Machine Learning · Computer Science 2023-10-10 Bahare Fatemi , Jonathan Halcrow , Bryan Perozzi

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Machine Learning · Computer Science 2025-06-03 Zhuo Chen , Yizhen Zheng , Huan Yee Koh , Hongxin Xiang , Linjiang Chen , Wenjie Du , Yang Wang

Text-attributed graphs have recently garnered significant attention due to their wide range of applications in web domains. Existing methodologies employ word embedding models for acquiring text representations as node features, which are…

Machine Learning · Computer Science 2024-12-11 Jianxiang Yu , Yuxiang Ren , Chenghua Gong , Jiaqi Tan , Xiang Li , Xuecang Zhang

While Language Models (LMs) are the workhorses of NLP, their interplay with structured knowledge graphs (KGs) is still actively researched. Current methods for encoding such graphs typically either (i) linearize them for embedding with LMs…

Computation and Language · Computer Science 2024-06-04 Moritz Plenz , Anette Frank

Large Language Models (LLMs) exhibit strong reasoning capabilities on structured tasks, yet the internal mechanisms underlying such behaviors remain poorly understood. Existing interpretation methods mainly focus on token-level…

Computation and Language · Computer Science 2026-02-02 Xinnan Dai , Xianxuan Long , Chung-Hsiang Lo , Kai Guo , Shenglai Zeng , Dongsheng Luo , Jiliang Tang

Recent advances in generative AI have been largely driven by large language models (LLMs), deep neural networks that operate over discrete units called tokens. To represent text, the vast majority of LLMs use words or word fragments as the…

Pre-trained Language Models (PLMs) have the potential to transform software development tasks. However, despite significant advances, current PLMs struggle to capture the structured and relational attributes of code, such as control flow…

Software Engineering · Computer Science 2026-05-06 Mert Tiftikci , Amir Molzam Sharifloo , Mira Mezini

Do current large language models (LLMs) better solve graph reasoning and generation tasks with parameter updates? In this paper, we propose InstructGraph, a framework that empowers LLMs with the abilities of graph reasoning and generation…

Computation and Language · Computer Science 2024-02-15 Jianing Wang , Junda Wu , Yupeng Hou , Yao Liu , Ming Gao , Julian McAuley