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Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Uncovering the mechanisms behind "jailbreaks" in large language models (LLMs) is crucial for enhancing their safety and reliability, yet these mechanisms remain poorly understood. Existing studies predominantly analyze jailbreak prompts by…

Machine Learning · Computer Science 2026-02-06 Licheng Pan , Yunsheng Lu , Jiexi Liu , Jialing Tao , Haozhe Feng , Hui Xue , Zhixuan Chu , Kui Ren

Large language models have been extensively studied as neural knowledge bases for their knowledge access, editability, reasoning, and explainability. However, few works focus on the structural patterns of their knowledge. Motivated by this…

Computation and Language · Computer Science 2025-05-28 Utkarsh Sahu , Zhisheng Qi , Yongjia Lei , Ryan A. Rossi , Franck Dernoncourt , Nesreen K. Ahmed , Mahantesh M Halappanavar , Yao Ma , Yu Wang

We propose cognitive prompting as a novel approach to guide problem-solving in large language models (LLMs) through structured, human-like cognitive operations, such as goal clarification, decomposition, filtering, abstraction, and pattern…

Computation and Language · Computer Science 2024-12-03 Oliver Kramer , Jill Baumann

Large Language Models (LLMs) have exhibited impressive proficiency in various natural language processing (NLP) tasks, which involve increasingly complex reasoning. Knowledge reasoning, a primary type of reasoning, aims at deriving new…

Computation and Language · Computer Science 2024-07-02 Yifei Zhang , Xintao Wang , Jiaqing Liang , Sirui Xia , Lida Chen , Yanghua Xiao

Large Language Models (LLMs) have recently shown great promise in planning and reasoning applications. These tasks demand robust systems, which arguably require a causal understanding of the environment. While LLMs can acquire and reflect…

Artificial Intelligence · Computer Science 2024-10-29 John Gkountouras , Matthias Lindemann , Phillip Lippe , Efstratios Gavves , Ivan Titov

Numerical reasoning is an important task in the analysis of financial documents. It helps in understanding and performing numerical predictions with logical conclusions for the given query seeking answers from financial texts. Recently,…

Computation and Language · Computer Science 2026-01-13 Aryan Mishra , Akash Anil

Recently, ChatGPT, a representative large language model (LLM), has gained considerable attention due to its powerful emergent abilities. Some researchers suggest that LLMs could potentially replace structured knowledge bases like knowledge…

Computation and Language · Computer Science 2024-01-31 Linyao Yang , Hongyang Chen , Zhao Li , Xiao Ding , Xindong Wu

Large language models (LLMs) are increasingly applied in specialized domains such as finance and healthcare, where they introduce unique safety risks. Domain-specific datasets of harmful prompts remain scarce and still largely rely on…

Computation and Language · Computer Science 2026-04-21 Huawei Zheng , Xinqi Jiang , Sen Yang , Shouling Ji , Yingcai Wu , Dazhen Deng

Improving the performance of large language models (LLMs) in complex question-answering (QA) scenarios has always been a research focal point. Recent studies have attempted to enhance LLMs' performance by combining step-wise planning with…

Computation and Language · Computer Science 2024-10-24 Junjie Wang , Mingyang Chen , Binbin Hu , Dan Yang , Ziqi Liu , Yue Shen , Peng Wei , Zhiqiang Zhang , Jinjie Gu , Jun Zhou , Jeff Z. Pan , Wen Zhang , Huajun Chen

Knowledge graphs (KGs) have transformed data management within the manufacturing industry, offering effective means for integrating disparate data sources through shared and structured conceptual schemas. However, harnessing the power of…

Artificial Intelligence · Computer Science 2025-07-31 Sebastian Monka , Irlan Grangel-González , Stefan Schmid , Lavdim Halilaj , Marc Rickart , Oliver Rudolph , Rui Dias

Clinical diagnosis is time-consuming, requiring intensive interactions between patients and medical professionals. While large language models (LLMs) could ease the pre-diagnostic workload, their limited domain knowledge hinders effective…

Computation and Language · Computer Science 2026-03-03 Liwen Sun , Xiang Yu , Ming Tan , Zhuohao Chen , Anqi Cheng , Ashutosh Joshi , Chenyan Xiong

Knowledge graphs play a vital role in numerous artificial intelligence tasks, yet they frequently face the issue of incompleteness. In this study, we explore utilizing Large Language Models (LLM) for knowledge graph completion. We consider…

Computation and Language · Computer Science 2025-02-14 Liang Yao , Jiazhen Peng , Chengsheng Mao , Yuan Luo

Extensive knowledge graphs (KGs) have been constructed to facilitate knowledge-driven tasks across various scenarios. However, existing work usually develops separate reasoning models for different KGs, lacking the ability to generalize and…

Artificial Intelligence · Computer Science 2024-10-17 Yuanning Cui , Zequn Sun , Wei Hu

Pretrained Large Language Models (LLMs) have demonstrated various reasoning capabilities through language-based prompts alone, particularly in unstructured task settings (tasks purely based on language semantics). However, LLMs often…

Computation and Language · Computer Science 2024-08-30 Palaash Agrawal , Shavak Vasania , Cheston Tan

Large language models (LLMs) have demonstrated impressive reasoning abilities yet remain unreliable on knowledge-intensive, multi-hop questions -- they miss long-tail facts, hallucinate when uncertain, and their internal knowledge lags…

Computation and Language · Computer Science 2025-10-13 Jia Ao Sun , Hao Yu , Fabrizio Gotti , Fengran Mo , Yihong Wu , Yuchen Hui , Jian-Yun Nie

Large Language Models (LLMs) have shown unprecedented performance in various real-world applications. However, they are known to generate factually inaccurate outputs, a.k.a. the hallucination problem. In recent years, incorporating…

Computation and Language · Computer Science 2024-06-21 Haochen Liu , Song Wang , Yaochen Zhu , Yushun Dong , Jundong Li

We present a mixed-methods study to explore how large language models (LLMs) can assist users in the visual exploration and analysis of knowledge graphs (KGs). We surveyed and interviewed 20 professionals from industry, government…

Human-Computer Interaction · Computer Science 2024-04-03 Harry Li , Gabriel Appleby , Ashley Suh

Recent advancements in Large Language Models (LLMs) have transformed code generation from natural language queries. However, despite their extensive knowledge and ability to produce high-quality code, LLMs often struggle with contextual…

Artificial Intelligence · Computer Science 2025-07-17 Mihir Athale , Vishal Vaddina

Large language models (LLMs) have been used to generate query expansions augmenting original queries for improving information search. Recent studies also explore providing LLMs with initial retrieval results to generate query expansions…

Computation and Language · Computer Science 2025-02-07 Yu Xia , Junda Wu , Sungchul Kim , Tong Yu , Ryan A. Rossi , Haoliang Wang , Julian McAuley