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Large Language Models (LLMs) can aid synthesis planning in chemistry, but standard prompting methods often yield hallucinated or outdated suggestions. We study LLM interactions with a reaction knowledge graph by casting reaction path…

Artificial Intelligence · Computer Science 2026-01-23 Olga Bunkova , Lorenzo Di Fruscia , Sophia Rupprecht , Artur M. Schweidtmann , Marcel J. T. Reinders , Jana M. Weber

Large language models (LLMs) such as ChatGPT have gained considerable interest across diverse research communities. Their notable ability for text completion and generation has inaugurated a novel paradigm for language-interfaced problem…

Quantitative Methods · Quantitative Biology 2024-02-22 Hengchuang Yin , Zhonghui Gu , Fanhao Wang , Yiparemu Abuduhaibaier , Yanqiao Zhu , Xinming Tu , Xian-Sheng Hua , Xiao Luo , Yizhou Sun

Large language models (LLMs) have achieved great success in many fields, and recent works have studied exploring LLMs for graph discriminative tasks such as node classification. However, the abilities of LLMs for graph generation remain…

Machine Learning · Computer Science 2024-03-22 Yang Yao , Xin Wang , Zeyang Zhang , Yijian Qin , Ziwei Zhang , Xu Chu , Yuekui Yang , Wenwu Zhu , Hong Mei

The exponential growth of information presents a significant challenge for researchers and professionals seeking to remain at the forefront of their fields and this paper introduces an innovative framework for automatically generating…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 Andrei Lazarev , Dmitrii Sedov

The explosive growth of large language models (LLMs) has created a vast but opaque landscape: millions of models exist, yet their evolutionary relationships through fine-tuning, distillation, or adaptation are often undocumented or unclear,…

Machine Learning · Computer Science 2026-05-04 Zhaomin Wu , Haodong Zhao , Ziyang Wang , Jizhou Guo , Qian Wang , Bingsheng He

Ontologies have become essential in today's digital age as a way of organising the vast amount of readily available unstructured text. In providing formal structure to this information, ontologies have immense value and application across…

Computation and Language · Computer Science 2025-11-11 Dekai Zhang , Simone Conia , Antonio Rago

This study addresses the challenges of tracking and analyzing students' learning trajectories, particularly the issue of inadequate knowledge coverage in course assessments. Traditional assessment tools often fail to fully cover course…

Computers and Society · Computer Science 2025-04-17 Yu-Hxiang Chen , Ju-Shen Huang , Jia-Yu Hung , Chia-Kai Chang

Graphs are an essential data structure utilized to represent relationships in real-world scenarios. Prior research has established that Graph Neural Networks (GNNs) deliver impressive outcomes in graph-centric tasks, such as link prediction…

Machine Learning · Computer Science 2024-09-12 Xubin Ren , Jiabin Tang , Dawei Yin , Nitesh Chawla , Chao Huang

Large Language Models (LLMs) have revolutionized AI systems by enabling communication with machines using natural language. Recent developments in Generative AI (GenAI) like Vision-Language Models (GPT-4V) and Gemini have shown great…

Computation and Language · Computer Science 2024-07-17 Jakub M. Tomczak

Large language models (LLMs) have become important tools in solving biological problems, offering improvements in accuracy and adaptability over conventional methods. Several benchmarks have been proposed to evaluate the performance of…

Large Language Models are increasingly used to build agents to perform more complex tasks. As LLMs perform more complicated reasoning through longer interactions, self-consistency, i.e., the idea that the answer obtained from sampling and…

Software Engineering · Computer Science 2024-12-12 Naryeong Kim , Sungmin Kang , Gabin An , Shin Yoo

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

Computation and Language · Computer Science 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

While logical reasoning evaluation of Large Language Models (LLMs) has attracted significant attention, existing benchmarks predominantly rely on multiple-choice formats that are vulnerable to random guessing, leading to overestimated…

Computation and Language · Computer Science 2025-02-25 Qin Zhu , Fei Huang , Runyu Peng , Keming Lu , Bowen Yu , Qinyuan Cheng , Xipeng Qiu , Xuanjing Huang , Junyang Lin

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

Recent breakthroughs in Large Language Models (LLMs), such as GPT-3 and Codex, now enable software developers to generate code based on a natural language prompt. Within computer science education, researchers are exploring the potential…

Computers and Society · Computer Science 2022-12-13 Stephen MacNeil , Andrew Tran , Juho Leinonen , Paul Denny , Joanne Kim , Arto Hellas , Seth Bernstein , Sami Sarsa

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

Large language models (LLMs) have exhibited exceptional capabilities in natural language understanding and generation, image recognition, and multimodal tasks, charting a course towards AGI and emerging as a central issue in the global…

Computation and Language · Computer Science 2025-11-20 Guoqiang Liang , Jingqian Gong , Mengxuan Li , Gege Lin , Shuo Zhang

The exponential growth of text-based data in domains such as healthcare, education, and social sciences has outpaced the capacity of traditional qualitative analysis methods, which are time-intensive and prone to subjectivity. Large…

Trajectory prediction serves as a critical functionality in autonomous driving, enabling the anticipation of future motion paths for traffic participants such as vehicles and pedestrians, which is essential for driving safety. Although…

Robotics · Computer Science 2025-09-16 Wei Dai , Shengen Wu , Wei Wu , Zhenhao Wang , Sisuo Lyu , Haicheng Liao , Limin Yu , Weiping Ding , Runwei Guan , Yutao Yue

Scientific names of organisms consist of a genus name and a species epithet, with the latter often reflecting aspects such as morphology, ecology, distribution, and cultural background. Traditionally, researchers have manually labeled…

Computation and Language · Computer Science 2026-01-13 Keito Inoshita , Kota Nojiri , Haruto Sugeno , Takumi Taga