English
Related papers

Related papers: MixRx: Predicting Drug Combination Interactions wi…

200 papers

Automatic medication mining from clinical and biomedical text has become a popular topic due to its real impact on healthcare applications and the recent development of powerful language models (LMs). However, fully-automatic extraction…

Computation and Language · Computer Science 2023-08-09 Haifa Alrdahi , Lifeng Han , Hendrik Šuvalov , Goran Nenadic

In this paper we look at the ability of recent large language models (LLMs) at solving mathematical problems in combinatorics. We compare models LLaMA-2, LLaMA-3.1, GPT-4, and Mixtral against each other and against human pupils and…

Computation and Language · Computer Science 2024-12-17 Andrii Nikolaiev , Yiannos Stathopoulos , Simone Teufel

This paper explores the use of Large Language Models (LLMs) for sequential recommendation, which predicts users' future interactions based on their past behavior. We introduce a new concept, "Integrating Recommendation Systems as a New…

Information Retrieval · Computer Science 2024-12-24 Kai Zheng , Qingfeng Sun , Can Xu , Peng Yu , Qingwei Guo

Multi-LLM collaboration promises accurate, robust, and context-aware solutions, yet existing approaches rely on implicit selection and output assessment without analyzing whether collaborating models truly complement or conflict. We…

Machine Learning · Computer Science 2025-10-07 Huascar Sanchez , Briland Hitaj

Large language models (LLMs) have demonstrated unprecedented emergent capabilities, including content generation, translation, and simulation of human behavior. Field experiments, on the other hand, are widely employed in social studies to…

Computers and Society · Computer Science 2025-05-22 Yaoyu Chen , Yuheng Hu , Yingda Lu

Reinforcement learning (RL) is a promising approach for aligning large language models (LLMs) knowledge with sequential decision-making tasks. However, few studies have thoroughly investigated the impact on LLM agents capabilities of…

This research explores a hybrid approach to fine-tuning large language models (LLMs) by integrating real-world and synthetic data to boost model performance, particularly in generating accurate and contextually relevant responses. By…

Computation and Language · Computer Science 2024-10-15 Alexey Zhezherau , Alexei Yanockin

Fine-tuning Large Language Models (LLMs) is a common practice to adapt pre-trained models for specific applications. While methods like LoRA have effectively addressed GPU memory constraints during fine-tuning, their performance often falls…

Computation and Language · Computer Science 2024-07-23 Dengchun Li , Yingzi Ma , Naizheng Wang , Zhengmao Ye , Zhiyuan Cheng , Yinghao Tang , Yan Zhang , Lei Duan , Jie Zuo , Cal Yang , Mingjie Tang

Despite the success of distillation in large language models (LLMs), most prior work applies identical loss functions to both teacher- and student-generated data. These strategies overlook the synergy between loss formulations and data…

Computation and Language · Computer Science 2025-06-02 Jongwoo Ko , Tianyi Chen , Sungnyun Kim , Tianyu Ding , Luming Liang , Ilya Zharkov , Se-Young Yun

The recommendation of medication is a vital aspect of intelligent healthcare systems, as it involves prescribing the most suitable drugs based on a patient's specific health needs. Unfortunately, many sophisticated models currently in use…

Information Retrieval · Computer Science 2025-01-28 Qidong Liu , Xian Wu , Xiangyu Zhao , Yuanshao Zhu , Zijian Zhang , Feng Tian , Yefeng Zheng

Large language models (LLMs) are powerful artificial intelligence (AI) tools transforming how research is conducted. However, their use in research has been met with skepticism, due to concerns about hallucinations, biases and potential…

Artificial Intelligence · Computer Science 2025-07-08 Ruian Ke , Ruy M. Ribeiro

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug…

Machine Learning · Computer Science 2025-02-12 Xuefeng Liu , Songhao Jiang , Siyu Chen , Zhuoran Yang , Yuxin Chen , Ian Foster , Rick Stevens

Large language models (LLMs) rely on pretraining on massive and heterogeneous corpora, where training data composition has a decisive impact on training efficiency and downstream generalization under realistic compute and data budget…

Computation and Language · Computer Science 2026-04-21 Zhuo Chen , Yuxuan Miao , Supryadi , Deyi Xiong

Large language models (LLMs) have been used in many application domains, including cyber security. The application of LLMs in the cyber security domain presents significant opportunities, such as for enhancing threat analysis and malware…

Cryptography and Security · Computer Science 2025-09-18 Adel ElZemity , Budi Arief , Shujun Li

As healthcare increasingly turns to AI for scalable and trustworthy clinical decision support, ensuring reliability in model reasoning remains a critical challenge. Individual large language models (LLMs) are susceptible to hallucinations…

Machine Learning · Computer Science 2025-12-05 Huascar Sanchez , Briland Hitaj , Jules Bergmann , Linda Briesemeister

Large Language Models (LLMs) such as Mistral and LLaMA have showcased remarkable performance across various natural language processing (NLP) tasks. Despite their success, these models inherit social biases from the diverse datasets on…

Computation and Language · Computer Science 2024-06-19 Nirmalendu Prakash , Lee Ka Wei Roy

In this mini-review, we explore the new prediction methods for drug combination synergy relying on high-throughput combinatorial screens. The fast progress of the field is witnessed in the more than thirty original machine learning methods…

Machine Learning · Computer Science 2024-04-16 Fatemeh Abbasi , Juho Rousu

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

Interference between pharmacological substances can cause serious medical injuries. Correctly predicting so-called drug-drug interactions (DDI) does not only reduce these cases but can also result in a reduction of drug development cost.…

Machine Learning · Computer Science 2019-08-06 Md. Rezaul Karim , Michael Cochez , Joao Bosco Jares , Mamtaz Uddin , Oya Beyan , Stefan Decker

Large Language Models (LLMs) have demonstrated exceptional proficiency in text understanding and embedding tasks. However, their potential in multimodal representation, particularly for item-to-item (I2I) recommendations, remains…

Information Retrieval · Computer Science 2025-01-22 Chao Zhang , Haoxin Zhang , Shiwei Wu , Di Wu , Tong Xu , Xiangyu Zhao , Yan Gao , Yao Hu , Enhong Chen