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Despite the strong performance of large audio language models (LALMs) in various tasks, exactly how and where they integrate acoustic features with textual context remains unclear. We adapt causal tracing to investigate the internal…

Sound · Computer Science 2026-03-17 Wei-Chih Chen , Chien-yu Huang , Hung-yi Lee

Large Language Models (LLMs) have recently demonstrated remarkable performance in general tasks across various fields. However, their effectiveness within specific domains such as drug development remains challenges. To solve these…

Artificial Intelligence · Computer Science 2024-10-16 Tengfei Ma , Xuan Lin , Tianle Li , Chaoyi Li , Long Chen , Peng Zhou , Xibao Cai , Xinyu Yang , Daojian Zeng , Dongsheng Cao , Xiangxiang Zeng

Medical coding, the translation of unstructured clinical text into standardized medical codes, is a crucial but time-consuming healthcare practice. Though large language models (LLM) could automate the coding process and improve the…

Computation and Language · Computer Science 2025-03-25 John Wu , David Wu , Jimeng Sun

Large Language Models (LLMs) possess strong representation and reasoning capabilities, but their application to structure-based drug design (SBDD) is limited by insufficient understanding of protein structures and unpredictable molecular…

Machine Learning · Computer Science 2026-01-27 Xuanning Hu , Anchen Li , Qianli Xing , Jinglong Ji , Hao Tuo , Bo Yang

The proliferation of Large Language Models (LLMs) in medicine has enabled impressive capabilities, yet a critical gap remains in their ability to perform systematic, transparent, and verifiable reasoning, a cornerstone of clinical practice.…

Computation and Language · Computer Science 2025-08-04 Wenxuan Wang , Zizhan Ma , Meidan Ding , Shiyi Zheng , Shengyuan Liu , Jie Liu , Jiaming Ji , Wenting Chen , Xiang Li , Linlin Shen , Yixuan Yuan

While large language models (LLMs) have demonstrated strong capability in structured prediction tasks such as semantic parsing, few amounts of research have explored the underlying mechanisms of their success. Our work studies different…

Computation and Language · Computer Science 2023-02-01 Daking Rai , Yilun Zhou , Bailin Wang , Ziyu Yao

Large Language Models (LLMs) show promise in biomedicine but lack true causal understanding, relying instead on correlations. This paper envisions causal LLM agents that integrate multimodal data (text, images, genomics, etc.) and perform…

Artificial Intelligence · Computer Science 2025-05-23 Adib Bazgir , Amir Habibdoust Lafmajani , Yuwen Zhang

Large language models (LLMs) are in the ascendancy for research in drug discovery, offering unprecedented opportunities to reshape drug research by accelerating hypothesis generation, optimizing candidate prioritization, and enabling more…

Machine Learning · Computer Science 2026-04-06 Tianyu Liu , Sihan Jiang , Fan Zhang , Kunyang Sun , Teresa Head-Gordon , Hongyu Zhao

The emergent few-shot reasoning capabilities of Large Language Models (LLMs) have excited the natural language and machine learning community over recent years. Despite of numerous successful applications, the underlying mechanism of such…

Computation and Language · Computer Science 2023-06-09 Xiaojuan Tang , Zilong Zheng , Jiaqi Li , Fanxu Meng , Song-Chun Zhu , Yitao Liang , Muhan Zhang

General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks. Simply increasing model size or introducing reasoning…

Large language models (LLMs) have demonstrated broad utility across molecular domains, spanning drug discovery and materials design. Analyzing LLMs' latent representations is crucial for elucidating their underlying mechanisms, improving…

Machine Learning · Computer Science 2026-02-03 Zhuoran Li , Xu Sun , Wanyu Lin , Jiannong Cao

Most of the existing medication recommendation models are predicted with only structured data such as medical codes, with the remaining other large amount of unstructured or semi-structured data underutilization. To increase the utilization…

Computation and Language · Computer Science 2024-07-16 Yu-Tzu Lee

The biomedical field relies heavily on concept linking in various areas such as literature mining, graph alignment, information retrieval, question-answering, data, and knowledge integration. Although large language models (LLMs) have made…

Computation and Language · Computer Science 2023-07-04 Qinyong Wang , Zhenxiang Gao , Rong Xu

Since the advent of machine learning, interpretability has remained a persistent challenge, becoming increasingly urgent as generative models support high-stakes applications in drug and material discovery. Recent advances in large language…

Machine Learning · Computer Science 2025-12-10 Jaron Cohen , Alexander G. Hasson , Sara Tanovic

Human languages are full of metaphorical expressions. Metaphors help people understand the world by connecting new concepts and domains to more familiar ones. Large pre-trained language models (PLMs) are therefore assumed to encode…

Computation and Language · Computer Science 2022-03-29 Ehsan Aghazadeh , Mohsen Fayyaz , Yadollah Yaghoobzadeh

Large Language Models (LLMs) stand at the forefront of a number of Natural Language Processing (NLP) tasks. Despite the widespread adoption of LLMs in NLP, much of their potential in broader fields remains largely unexplored, and…

Machine Learning · Computer Science 2024-03-11 Zhiqiang Zhong , Kuangyu Zhou , Davide Mottin

The rapid advancement of large language models (LLMs) has opened new boundaries in the extraction and synthesis of medical knowledge, particularly within evidence synthesis. This paper reviews the state-of-the-art applications of LLMs in…

Large Language Models (LLMs) are becoming increasingly popular in pervasive computing due to their versatility and strong performance. However, despite their ubiquitous use, the exact mechanisms underlying their outstanding performance…

Computation and Language · Computer Science 2026-02-02 Alhassan Abdelhalim , Janick Edinger , Sören Laue , Michaela Regneri

The large-scale development of large language models (LLMs) in medical contexts, such as diagnostic assistance and treatment recommendations, necessitates that these models possess accurate medical knowledge and deliver traceable…

Artificial Intelligence · Computer Science 2025-08-12 Qiyuan Li , Haijiang Liu , Caicai Guo , Chao Gao , Deyu Chen , Meng Wang , Feng Gao , Frank van Harmelen , Jinguang Gu

Text-based representations of chemicals and proteins can be thought of as unstructured languages codified by humans to describe domain-specific knowledge. Advances in natural language processing (NLP) methodologies in the processing of…

Biomolecules · Quantitative Biology 2020-02-17 Hakime Öztürk , Arzucan Özgür , Philippe Schwaller , Teodoro Laino , Elif Ozkirimli