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Related papers: DrugImproverGPT: A Large Language Model for Drug O…

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Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

Understanding biological processes, drug development, and biotechnological advancements requires a detailed analysis of protein structures and functions, a task that is inherently complex and time-consuming in traditional protein research.…

Artificial Intelligence · Computer Science 2025-04-21 Yijia Xiao , Edward Sun , Yiqiao Jin , Qifan Wang , Wei Wang

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

Importance: We introduce a novel Retrieval Augmented Generation (RAG)-Large Language Model (LLM) framework as a Clinical Decision Support Systems (CDSS) to support safe medication prescription. Objective: To evaluate the efficacy of…

This paper studies retrieval-augmented approaches for personalizing large language models (LLMs), which potentially have a substantial impact on various applications and domains. We propose the first attempt to optimize the retrieval models…

Computation and Language · Computer Science 2024-04-19 Alireza Salemi , Surya Kallumadi , Hamed Zamani

The introduction of Large Language Models (LLMs), and the vast volume of publicly available medical data, amplified the application of NLP to the medical domain. However, LLMs are pretrained on data that are not explicitly relevant to the…

Computation and Language · Computer Science 2023-12-12 Chris Solomou

Large Language Models (LLMs) generate functionally correct solutions but often fall short in code efficiency, a critical bottleneck for real-world deployment. In this paper, we introduce a novel test-time iterative optimization framework to…

Software Engineering · Computer Science 2025-06-04 Mingzhe Du , Luu Anh Tuan , Yue Liu , Yuhao Qing , Dong Huang , Xinyi He , Qian Liu , Zejun Ma , See-kiong Ng

The sequential recommendation problem has attracted considerable research attention in the past few years, leading to the rise of numerous recommendation models. In this work, we explore how Large Language Models (LLMs), which are nowadays…

Information Retrieval · Computer Science 2025-01-14 Artun Boz , Wouter Zorgdrager , Zoe Kotti , Jesse Harte , Panos Louridas , Dietmar Jannach , Vassilios Karakoidas , Marios Fragkoulis

Large Language Models (LLMs), particularly those similar to ChatGPT, have significantly influenced the field of Natural Language Processing (NLP). While these models excel in general language tasks, their performance in domain-specific…

Computation and Language · Computer Science 2024-01-02 Omid Rohanian , Mohammadmahdi Nouriborji , David A. Clifton

Large Vision-Language Models (LVLMs) or multimodal large language models represent a significant advancement in artificial intelligence, enabling systems to understand and generate content across both visual and textual modalities. While…

Machine Learning · Computer Science 2025-09-09 Thanh Thi Nguyen , Campbell Wilson , Janis Dalins

Objective: To develop a natural language processing (NLP) system to extract medications and contextual information that help understand drug changes. This project is part of the 2022 n2c2 challenge. Materials and methods: We developed NLP…

Computation and Language · Computer Science 2023-05-10 Aokun Chen , Zehao Yu , Xi Yang , Yi Guo , Jiang Bian , Yonghui Wu

Supervised fine-tuning (SFT) is the predominant method for adapting large language models (LLMs), yet it often struggles with generalization compared to reinforcement learning (RL). In this work, we posit that this performance disparity…

Computation and Language · Computer Science 2026-02-03 Rui Ming , Haoyuan Wu , Shoubo Hu , Zhuolun He , Bei Yu

This paper presents an integrated systematic study of the performance of large language models (LLMs), specifically ChatGPT, for automatically formulating and solving Stochastic Optimization (SO) problems from natural language descriptions.…

Artificial Intelligence · Computer Science 2026-01-15 Amirreza Talebi

Current Large Language Models (LLMs) exhibit significant limitations, notably in structured, interpretable, and verifiable medical reasoning, alongside practical deployment challenges related to computational resources and data privacy.…

Computation and Language · Computer Science 2025-06-06 Boqin Zhuang , Chenxiao Song , Huitong Lu , Jiacheng Qiao , Mingqian Liu , Mingxing Yu , Ping Hong , Rui Li , Xiaoxia Song , Xiangjun Xu , Xu Chen , Yaoyao Ma , Yujie Gao

Recent advancements in large language models (LLMs) have enabled understanding webpage contexts, product details, and human instructions. Utilizing LLMs as the foundational architecture for either reward models or policies in reinforcement…

Machine Learning · Computer Science 2024-08-30 Shuang Feng , Grace Feng

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

Biomolecules · Quantitative Biology 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

While Genetic Improvement (GI) is a useful paradigm to improve functional and nonfunctional aspects of software, existing techniques tended to use the same set of mutation operators for differing objectives, due to the difficulty of writing…

Software Engineering · Computer Science 2023-04-20 Sungmin Kang , Shin Yoo

Improving and understanding the training dynamics and reasoning of Large Language Models (LLMs) has become essential for their deployment in AI-based security tools, such as software vulnerability detection. In this work, we present an…

Cryptography and Security · Computer Science 2025-07-08 Marco Simoni , Aleksandar Fontana , Giulio Rossolini , Andrea Saracino

The large language model (LLM) is typically integrated into the mainstream optimization protocol. No work has questioned whether maintaining the model integrity is \textit{indispensable} for promising performance. In this work, we introduce…

Computation and Language · Computer Science 2026-03-17 Mingyuan Zhang , Yue Bai , Huan Wang , Yizhou Wang , Qihua Dong , Yitian Zhang , Yun Fu
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