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Related papers: DRAK: Unlocking Molecular Insights with Domain-Spe…

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Large Language Models (LLMs) are pre-trained on large-scale corpora and excel in numerous general natural language processing (NLP) tasks, such as question answering (QA). Despite their advanced language capabilities, when it comes to…

Drug discovery is a critical task in biomedical natural language processing (NLP), yet explainable drug discovery remains underexplored. Meanwhile, large language models (LLMs) have shown remarkable abilities in natural language…

Computation and Language · Computer Science 2025-02-28 Kai Zhang , Rui Zhu , Shutian Ma , Jingwei Xiong , Yejin Kim , Fabricio Murai , Xiaozhong Liu

In the field of Material Science, effective information retrieval systems are essential for facilitating research. Traditional Retrieval-Augmented Generation (RAG) approaches in Large Language Models (LLMs) often encounter challenges such…

Information Retrieval · Computer Science 2024-12-03 Radeen Mostafa , Mirza Nihal Baig , Mashaekh Tausif Ehsan , Jakir Hasan

We introduce the \textit{Extract-Refine-Retrieve-Read} (ERRR) framework, a novel approach designed to bridge the pre-retrieval information gap in Retrieval-Augmented Generation (RAG) systems through query optimization tailored to meet the…

Computation and Language · Computer Science 2025-09-22 Youan Cong , Pritom Saha Akash , Cheng Wang , Kevin Chen-Chuan Chang

Large Language Models (LLMs), although powerful in general domains, often perform poorly on domain-specific tasks such as medical question answering (QA). In addition, LLMs tend to function as "black-boxes", making it challenging to modify…

Computation and Language · Computer Science 2024-08-19 Yucheng Shi , Shaochen Xu , Tianze Yang , Zhengliang Liu , Tianming Liu , Quanzheng Li , Xiang Li , Ninghao Liu

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

Interpretation is critical for disease diagnosis, but existing models struggle to balance predictive accuracy with human-understandable rationales. While large language models (LLMs) offer strong reasoning abilities, their clinical use is…

Computation and Language · Computer Science 2025-07-15 Shuai Niu , Jing Ma , Hongzhan Lin , Liang Bai , Zhihua Wang , Yida Xu , Yunya Song , Xian Yang

Retrieval-Augmented Generation (RAG) enhances LLM factuality, but multi-domain applications face challenges like lack of diverse benchmarks and poor out-of-domain generalization. The first contribution of this work is to introduce a diverse…

Computation and Language · Computer Science 2025-04-04 Alexandre Misrahi , Nadezhda Chirkova , Maxime Louis , Vassilina Nikoulina

This study tackles unsupervised domain adaptation of reading comprehension (UDARC). Reading comprehension (RC) is a task to learn the capability for question answering with textual sources. State-of-the-art models on RC still do not have…

Computation and Language · Computer Science 2020-05-22 Kosuke Nishida , Kyosuke Nishida , Itsumi Saito , Hisako Asano , Junji Tomita

Question answering over visually rich documents (VRDs) requires reasoning not only over isolated content but also over documents' structural organization and cross-page dependencies. However, conventional retrieval-augmented generation…

Computation and Language · Computer Science 2026-03-03 Zhivar Sourati , Zheng Wang , Marianne Menglin Liu , Yazhe Hu , Mengqing Guo , Sujeeth Bharadwaj , Kyu Han , Tao Sheng , Sujith Ravi , Morteza Dehghani , Dan Roth

Despite the advancements made in Vision Large Language Models (VLLMs), like text Large Language Models (LLMs), they have limitations in addressing questions that require real-time information or are knowledge-intensive. Indiscriminately…

Computation and Language · Computer Science 2025-08-26 Zhuo Chen , Xinyu Wang , Yong Jiang , Zhen Zhang , Xinyu Geng , Pengjun Xie , Fei Huang , Kewei Tu

Retrieval-Augmented Generation (RAG) combines the language understanding and reasoning power of large language models (LLMs) with external retrieval to enable domain-grounded responses. Effectively adapting RAG systems to domain-specific…

Computation and Language · Computer Science 2026-04-14 Chris Xing Tian , Weihao Xie , Zhen Chen , Zhengyuan Yi , Hui Liu , Haoliang Li , Shiqi Wang , Siwei Ma

Drug repurposing is often framed as a candidate identification task, but existing approaches provide limited guidance for distinguishing biologically plausible candidates from historically well-connected ones. Here we introduce DrugKLM, a…

Retrieval-Augmented Generation (RAG) has recently demonstrated the performance of Large Language Models (LLMs) in the knowledge-intensive tasks such as Question-Answering (QA). RAG expands the query context by incorporating external…

Machine Learning · Computer Science 2024-06-18 Zijian Hei , Weiling Liu , Wenjie Ou , Juyi Qiao , Junming Jiao , Guowen Song , Ting Tian , Yi Lin

The integration of external knowledge through Retrieval-Augmented Generation (RAG) has become foundational in enhancing large language models (LLMs) for knowledge-intensive tasks. However, existing RAG paradigms often overlook the cognitive…

Artificial Intelligence · Computer Science 2025-09-24 Yu Wang , Shiwan Zhao , Zhihu Wang , Ming Fan , Xicheng Zhang , Yubo Zhang , Zhengfan Wang , Heyuan Huang , Ting Liu

Domain-specific intelligence demands specialized knowledge and sophisticated reasoning for problem-solving, posing significant challenges for large language models (LLMs) that struggle with knowledge hallucination and inadequate reasoning…

Computation and Language · Computer Science 2025-05-20 Zhengren Wang , Jiayang Yu , Dongsheng Ma , Zhe Chen , Yu Wang , Zhiyu Li , Feiyu Xiong , Yanfeng Wang , Weinan E , Linpeng Tang , Wentao Zhang

Open-domain semantic parsing remains a challenging task, as neural models often rely on heuristics and struggle to handle unseen concepts. In this paper, we investigate the potential of large language models (LLMs) for this task and…

Computation and Language · Computer Science 2025-08-21 Xiao Zhang , Qianru Meng , Johan Bos

Large language models (LLMs) frequently generate confident yet factually incorrect content when used for language generation (a phenomenon often known as hallucination). Retrieval augmented generation (RAG) tries to reduce factual errors by…

Information Retrieval · Computer Science 2026-04-01 Dobrik Georgiev , Kheeran Naidu , Alberto Cattaneo , Federico Monti , Carlo Luschi , Daniel Justus

Large language models (LLMs) continue to struggle with knowledge-intensive questions that require up-to-date information and multi-hop reasoning. Augmenting LLMs with hybrid external knowledge, such as unstructured text and structured…

Machine Learning · Computer Science 2026-02-12 Junhong Lin , Bing Zhang , Song Wang , Ziyan Liu , Dan Gutfreund , Julian Shun , Yada Zhu

Deep learning has significantly advanced molecular modeling and design, enabling efficient understanding and discovery of novel molecules. In particular, large language models (LLMs) introduce a fresh research paradigm to tackle scientific…

Machine Learning · Computer Science 2025-01-06 Pengfei Liu , Jun Tao , Zhixiang Ren