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Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Precise hardware performance models play a crucial role in code optimizations. They can assist compilers in making heuristic decisions or aid autotuners in identifying the optimal configuration for a given program. For example, the…

Graphs are widely used for modeling relational data in real-world scenarios, such as social networks and urban computing. Existing LLM-based graph analysis approaches either integrate graph neural networks (GNNs) for specific machine…

Artificial Intelligence · Computer Science 2025-11-04 Xin Li , Qizhi Chu , Yubin Chen , Yang Liu , Yaoqi Liu , Zekai Yu , Weize Chen , Chen Qian , Chuan Shi , Cheng Yang

Large-scale "pre-train and prompt learning" paradigms have demonstrated remarkable adaptability, enabling broad applications across diverse domains such as question answering, image recognition, and multimodal retrieval. This approach fully…

High-level automation is increasingly critical in AI, driven by rapid advances in large language models (LLMs) and AI agents. However, LLMs, despite their general reasoning power, struggle significantly in specialized, data-sensitive tasks…

Machine Learning · Computer Science 2026-02-12 Jialiang Wang , Hanmo Liu , Shimin Di , Zhili Wang , Jiachuan Wang , Lei Chen , Xiaofang Zhou

The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on…

Chemical Physics · Physics 2019-10-22 Wengong Jin , Regina Barzilay , Tommi Jaakkola

Deep reinforcement learning (DRL) has recently emerged as a promising approach to solve combinatorial optimization problems such as job shop scheduling. However, the policies learned by DRL are typically represented by deep neural networks…

Machine Learning · Computer Science 2026-05-19 Chengpeng Hu , Yingqian Zhang , Hendrik Baier

Recommendation systems aim to provide users with relevant suggestions, but often lack interpretability and fail to capture higher-level semantic relationships between user behaviors and profiles. In this paper, we propose a novel approach…

Information Retrieval · Computer Science 2024-01-26 Yan Wang , Zhixuan Chu , Xin Ouyang , Simeng Wang , Hongyan Hao , Yue Shen , Jinjie Gu , Siqiao Xue , James Y Zhang , Qing Cui , Longfei Li , Jun Zhou , Sheng Li

Artificial general intelligence on graphs has shown significant advancements across various applications, yet the traditional 'Pre-train & Fine-tune' paradigm faces inefficiencies and negative transfer issues, particularly in complex and…

Machine Learning · Computer Science 2024-06-21 Chenyi Zi , Haihong Zhao , Xiangguo Sun , Yiqing Lin , Hong Cheng , Jia Li

Large Language Models (LLMs) have demonstrated remarkable generalization and instruction-following capabilities with instruction tuning. The advancements in LLMs and instruction tuning have led to the development of Large Vision-Language…

Machine Learning · Computer Science 2024-11-05 Jinyoung Park , Minseong Bae , Dohwan Ko , Hyunwoo J. Kim

Recent efforts leverage Large Language Models (LLMs) for modeling text-attributed graph structures in node classification tasks. These approaches describe graph structures for LLMs to understand or aggregate LLM-generated textual attribute…

Computation and Language · Computer Science 2025-05-27 Huachi Zhou , Jiahe Du , Chuang Zhou , Chang Yang , Yilin Xiao , Yuxuan Xie , Xiao Huang

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

Quantitative Methods · Quantitative Biology 2026-04-10 Ziwei Yang , Takeyuki Tamura

Programming languages possess rich semantic information - such as data flow - that is represented by graphs and not available from the surface form of source code. Recent code language models have scaled to billions of parameters, but model…

Computation and Language · Computer Science 2025-09-24 Ziyin Zhang , Hang Yu , Shijie Li , Peng Di , Jianguo Li , Rui Wang

Large Language Models (LLMs) have achieved impressive performance in text understanding and have become an essential tool for building smart assistants. Originally focusing on text, they have been enhanced with multimodal capabilities in…

Software Engineering · Computer Science 2024-10-24 Aaron Haag , Vlad Argatu , Oliver Lohse

Graph neural networks have emerged as a powerful tool for graph representation learning, but their performance heavily relies on abundant task-specific supervision. To reduce labeling requirement, the "pre-train, prompt" paradigms have…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Zhenghao Liu , Yuan Fang , Zemin Liu , Sihong Chen , Xinming Zhang

This paper presents a novel approach to neural network pruning by integrating a graph-based observation space into an AutoML framework to address the limitations of existing methods. Traditional pruning approaches often depend on…

Machine Learning · Computer Science 2025-09-16 Dieter Balemans , Thomas Huybrechts , Jan Steckel , Siegfried Mercelis

Deep representation learning on non-Euclidean data types, such as graphs, has gained significant attention in recent years. Invent of graph neural networks has improved the state-of-the-art for both node and the entire graph representation…

Machine Learning · Computer Science 2020-06-09 Sambaran Bandyopadhyay , Manasvi Aggarwal , M. Narasimha Murty

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable…

Artificial Intelligence · Computer Science 2024-04-19 Stefan Dernbach , Khushbu Agarwal , Alejandro Zuniga , Michael Henry , Sutanay Choudhury

Large language models (LLMs) show promising performance on small-scale graph reasoning tasks but fail when handling real-world graphs with complex queries. This phenomenon arises from LLMs' working memory constraints, which result in their…

Artificial Intelligence · Computer Science 2025-10-01 Rongzheng Wang , Shuang Liang , Qizhi Chen , Yihong Huang , Muquan Li , Yizhuo Ma , Dongyang Zhang , Ke Qin , Man-Fai Leung

Machine Learning (ML) techniques are indispensable in a wide range of fields. Unfortunately, the exponential increase of dataset sizes are rapidly extending the runtime of sequential algorithms and threatening to slow future progress in ML.…

Machine Learning · Computer Science 2011-07-06 Yucheng Low , Joseph Gonzalez , Aapo Kyrola , Danny Bickson , Carlos Guestrin
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