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Graph of Thoughts (GoT), a generalized form of recent prompting paradigms for large language models (LLMs), has been shown to be useful for elaborate problem solving. By executing a graph of operations, thoughts of the LLM are structured as…

Machine Learning · Computer Science 2026-05-22 Manuel Noah Riesen , Peter Alfred von Niederhäusern

We propose a new, training-free method, Graph Reasoning via Retrieval Augmented Framework (GRRAF), that harnesses retrieval-augmented generation (RAG) alongside the code-generation capabilities of large language models (LLMs) to address a…

Artificial Intelligence · Computer Science 2025-09-17 Hanqing Li , Kiran Sheena Jyothi , Henry Liang , Sharika Mahadevan , Diego Klabjan

Biological systems and processes are networks of complex nonlinear regulatory interactions between nucleic acids, proteins, and metabolites. A natural way in which to represent these interaction networks is through the use of a graph. In…

Molecular Networks · Quantitative Biology 2023-01-04 Jacob Rast

Solving computer-aided synthesis planning is essential for enabling fully automated, robot-assisted synthesis workflows and improving the efficiency of drug discovery. A key challenge, however, is bridging the gap between computational…

Fine-tuning for large language models (LLMs) typically requires substantial amounts of high-quality supervised data, which is both costly and labor-intensive to acquire. While synthetic data generation has emerged as a promising solution,…

Computation and Language · Computer Science 2025-05-28 Zihong Chen , Wanli Jiang , Jinzhe Li , Zhonghang Yuan , Huanjun Kong , Wanli Ouyang , Nanqing Dong

We propose a fully spectral, neuro\-symbolic reasoning architecture that leverages Graph Signal Processing (GSP) as the primary computational backbone for integrating symbolic logic and neural inference. Unlike conventional reasoning models…

Artificial Intelligence · Computer Science 2025-08-22 Andrew Kiruluta

GraphRAG integrates (knowledge) graphs with large language models (LLMs) to improve reasoning accuracy and contextual relevance. Despite its promising applications and strong relevance to multiple research communities, such as databases and…

Artificial Intelligence · Computer Science 2025-08-20 Yukun Cao , Zengyi Gao , Zhiyang Li , Xike Xie , S. Kevin Zhou , Jianliang Xu

Neurosymbolic AI is an increasingly active area of research that combines symbolic reasoning methods with deep learning to leverage their complementary benefits. As knowledge graphs are becoming a popular way to represent heterogeneous and…

Artificial Intelligence · Computer Science 2025-01-13 Lauren Nicole DeLong , Ramon Fernández Mir , Jacques D. Fleuriot

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated…

Computation and Language · Computer Science 2025-08-07 Mohammad Khodadad , Ali Shiraee Kasmaee , Mahdi Astaraki , Nicholas Sherck , Hamidreza Mahyar , Soheila Samiee

Recent work on recommender systems has considered external knowledge graphs as valuable sources of information, not only to produce better recommendations but also to provide explanations of why the recommended items were chosen. Pure…

Information Retrieval · Computer Science 2020-07-28 Yikun Xian , Zuohui Fu , Qiaoying Huang , S. Muthukrishnan , Yongfeng Zhang

Machine learning provides a valuable tool for analyzing high-dimensional functional neuroimaging data, and is proving effective in predicting various neurological conditions, psychiatric disorders, and cognitive patterns. In functional…

Machine Learning · Computer Science 2024-11-25 Anwar Said , Roza G. Bayrak , Tyler Derr , Mudassir Shabbir , Daniel Moyer , Catie Chang , Xenofon Koutsoukos

Since long, corporations are looking for knowledge sources which can provide structured description of data and can focus on meaning and shared understanding. Structures which can facilitate open world assumptions and can be flexible enough…

Artificial Intelligence · Computer Science 2014-03-31 Iti Mathur , Nisheeth Joshi , Hemant Darbari , Ajai Kumar

In most current research, large language models (LLMs) are able to perform reasoning tasks by generating chains of thought through the guidance of specific prompts. However, there still exists a significant discrepancy between their…

Computation and Language · Computer Science 2023-05-29 Yuanzhen Xie , Tao Xie , Mingxiong Lin , WenTao Wei , Chenglin Li , Beibei Kong , Lei Chen , Chengxiang Zhuo , Bo Hu , Zang Li

Large Language Models (LLMs) have demonstrated remarkable performance across multiple tasks through in-context learning. For complex reasoning tasks that require step-by-step thinking, Chain-of-Thought (CoT) prompting has given impressive…

Computation and Language · Computer Science 2024-10-10 Armel Zebaze , Benoît Sagot , Rachel Bawden

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship…

Artificial Intelligence · Computer Science 2025-01-15 Markus J. Buehler

Large Language Models (LLMs) have shown impressive performance on complex tasks through Chain-of-Thought (CoT) reasoning. However, conventional CoT relies on explicitly verbalized intermediate steps, which constrains its broader…

Computation and Language · Computer Science 2025-11-04 Xinghao Chen , Anhao Zhao , Heming Xia , Xuan Lu , Hanlin Wang , Yanjun Chen , Wei Zhang , Jian Wang , Wenjie Li , Xiaoyu Shen

LLMs are widely used for code generation and mathematical reasoning tasks where they are required to generate structured output. They either need to reason about code, generate code for a given specification, or reason using programs of…

Computation and Language · Computer Science 2026-04-21 Poorva Garg , Renato Lui Geh , Daniel Israel , Todd Millstein , Kyle Richardson , Guy Van den Broeck

Large language models (LLMs) have shown growing promise in biomedical research, particularly for knowledge-driven interpretation tasks. However, their ability to reliably reason from gene-level knowledge to functional understanding, a core…

Genomics · Quantitative Biology 2026-05-25 Xiaohan Huang , Meng Xiao , Chuan Qin , Qingqing Long , Jinmiao Chen , Yuanchun Zhou , Hengshu Zhu

We investigate response selection for multi-turn conversation in retrieval-based chatbots. Existing studies pay more attention to the matching between utterances and responses by calculating the matching score based on learned features,…

Computation and Language · Computer Science 2021-01-18 Yongkang Liu , Shi Feng , Daling Wang , Kaisong Song , Feiliang Ren , Yifei Zhang

Knowledge graph embedding (KGE) models perform well on link prediction but struggle with unseen entities, relations, and especially literals, limiting their use in dynamic, heterogeneous graphs. In contrast, pretrained large language models…

Computation and Language · Computer Science 2026-04-15 Alkid Baci , Luke Friedrichs , Caglar Demir , N'Dah Jean Kouagou , Axel-Cyrille Ngonga Ngomo
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