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This work presents a novel systematic methodology to analyse the capabilities and limitations of Large Language Models (LLMs) with feedback from a formal inference engine, on logic theory induction. The analysis is complexity-graded w.r.t.…

Computation and Language · Computer Science 2025-01-15 João Pedro Gandarela , Danilo S. Carvalho , André Freitas

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Recent advancements in medical Large Language Models (LLMs) have showcased their powerful reasoning and diagnostic capabilities. Despite their success, current unified multimodal medical LLMs face limitations in knowledge update costs,…

Computation and Language · Computer Science 2025-06-25 Yucheng Zhou , Lingran Song , Jianbing Shen

Multimodal biomedical Vision-Language Models (VLMs) exhibit immense potential in the field of Continual Learning (CL). However, they confront a core dilemma: how to preserve fine-grained intra-modality features while bridging the…

Computer Vision and Pattern Recognition · Computer Science 2025-12-16 Zizhi Chen , Yizhen Gao , Minghao Han , Yizhou Liu , Zhaoyu Chen , Dingkang Yang , Lihua Zhang

Instruction-tuning can be substantially optimized through enhanced diversity, resulting in models capable of handling a broader spectrum of tasks. However, existing data employed for such tuning often exhibit an inadequate coverage of…

Computation and Language · Computer Science 2023-10-25 Fanqi Wan , Xinting Huang , Tao Yang , Xiaojun Quan , Wei Bi , Shuming Shi

Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery lack the ability to comprehend three-dimensional (3D)…

In-context learning (ICL), teaching a large language model (LLM) to perform a task with few-shot demonstrations rather than adjusting the model parameters, has emerged as a strong paradigm for using LLMs. While early studies primarily used…

Computation and Language · Computer Science 2023-05-24 Man Luo , Xin Xu , Zhuyun Dai , Panupong Pasupat , Mehran Kazemi , Chitta Baral , Vaiva Imbrasaite , Vincent Y Zhao

Open-source, multilingual medical large language models (LLMs) have the potential to serve linguistically diverse populations across different regions. Adapting generic LLMs for healthcare often requires continual pretraining, but this…

Computation and Language · Computer Science 2024-09-10 Meng Zhou , Surajsinh Parmar , Anubhav Bhatti

Large language models (LLMs) have proven their remarkable versatility in handling a comprehensive range of language-centric applications. To expand LLMs' capabilities to a broader spectrum of modal inputs, multimodal large language models…

Computer Vision and Pattern Recognition · Computer Science 2023-12-07 Qiang Zhou , Zhibin Wang , Wei Chu , Yinghui Xu , Hao Li , Yuan Qi

The importance of recommender systems is growing rapidly due to the exponential increase in the volume of content generated daily. This surge in content presents unique challenges for designing effective recommender systems. Key among these…

Computation and Language · Computer Science 2025-06-12 Jiahao Tian , Jinman Zhao , Zhenkai Wang , Zhicheng Ding

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

The emergence of large language models (LLMs) has revolutionized machine learning and related fields, showcasing remarkable abilities in comprehending, generating, and manipulating human language. However, their conventional usage through…

Computation and Language · Computer Science 2024-04-18 Andrea Bacciu , Florin Cuconasu , Federico Siciliano , Fabrizio Silvestri , Nicola Tonellotto , Giovanni Trappolini

This research paper addresses the challenge of modality mismatch in multimodal learning, where the modalities available during inference differ from those available at training. We propose the Text-centric Alignment for Multi-Modality…

Machine Learning · Computer Science 2024-05-22 Yun-Da Tsai , Ting-Yu Yen , Pei-Fu Guo , Zhe-Yan Li , Shou-De Lin

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Virtual screening plays a critical role in modern drug discovery by enabling the identification of promising candidate molecules for experimental validation. Traditional machine learning methods such, as Support Vector Machines (SVM) and…

Machine Learning · Computer Science 2025-04-29 Radia Berreziga , Mohammed Brahimi , Khairedine Kraim , Hamid Azzoune

Many cultural institutions have made large digitized visual collections available online, often under permissible re-use licences. Creating interfaces for exploring and searching these collections is difficult, particularly in the absence…

Computer Vision and Pattern Recognition · Computer Science 2024-11-08 Taylor Arnold , Lauren Tilton

Writing radiology reports from medical images requires a high level of domain expertise. It is time-consuming even for trained radiologists and can be error-prone for inexperienced radiologists. It would be appealing to automate this task…

Computer Vision and Pattern Recognition · Computer Science 2023-12-05 Yuzhe Lu , Sungmin Hong , Yash Shah , Panpan Xu

Rapid advancements in imaging techniques and analytical methods over the past decade have revolutionized our ability to comprehensively probe the biological world at multiple scales, pinpointing the type, quantity, location, and even…

Artificial Intelligence · Computer Science 2025-10-02 Shanghang Zhang , Gaole Dai , Tiejun Huang , Jianxu Chen

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, enabling them to solve practical tasks. Previous methods manually parse tool documentation and create in-context…

Computation and Language · Computer Science 2025-03-05 Zhengliang Shi , Shen Gao , Lingyong Yan , Yue Feng , Xiuyi Chen , Zhumin Chen , Dawei Yin , Suzan Verberne , Zhaochun Ren

Pharmaceutical three-dimensional (3D) printing is an advanced fabrication technology with the potential to enable truly personalised dosage forms. Recent studies have integrated artificial intelligence (AI) to accelerate formulation and…

Artificial Intelligence · Computer Science 2026-05-19 Adeshola Okubena , Yusuf Ali Mohammed , Moe Elbadawi