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Mixtures of Linear Regressions (MLR) is an important mixture model with many applications. In this model, each observation is generated from one of the several unknown linear regression components, where the identity of the generated…

Machine Learning · Computer Science 2020-03-31 Yuanzhi Li , Yingyu Liang

Predicting synergistic drug combinations can help accelerate discovery of cancer treatments, particularly therapies personalized to a patient's specific tumor via biopsied cells. In this paper, we propose a novel setting and models for…

Artificial Intelligence · Computer Science 2023-10-26 Carl Edwards , Aakanksha Naik , Tushar Khot , Martin Burke , Heng Ji , Tom Hope

Large Language Models (LLMs) have been adopted and deployed worldwide for a broad variety of applications. However, ensuring their safe use remains a significant challenge. Preference training and safety measures often overfit to harms…

Computation and Language · Computer Science 2024-10-15 Aakanksha , Arash Ahmadian , Seraphina Goldfarb-Tarrant , Beyza Ermis , Marzieh Fadaee , Sara Hooker

Electronic Health Records (EHRs) often lack explicit links between medications and diagnoses, making clinical decision-making and research more difficult. Even when links exist, diagnosis lists may be incomplete, especially during early…

Computation and Language · Computer Science 2025-03-31 Dina Albassam , Adam Cross , Chengxiang Zhai

Large Language Models (LLMs) have emerged as a potential solution to assist digital health development with patient education, commonly medication-related enquires. We trained and validated Med-Pal, a medication domain-specific LLM-chatbot…

Large Language Models (LLMs) have emerged as promising solutions for a variety of medical and clinical decision support applications. However, LLMs are often subject to different types of biases, which can lead to unfair treatment of…

Computation and Language · Computer Science 2024-08-23 Raphael Poulain , Hamed Fayyaz , Rahmatollah Beheshti

We investigate the use of in-context learning and prompt engineering to estimate the contributions of training data in the outputs of instruction-tuned large language models (LLMs). We propose two novel approaches: (1) a similarity-based…

Computation and Language · Computer Science 2025-03-20 Milad Fotouhi , Mohammad Taha Bahadori , Oluwaseyi Feyisetan , Payman Arabshahi , David Heckerman

Traditional recommender systems such as matrix factorization methods have primarily focused on learning a shared dense embedding space to represent both items and user preferences. Subsequently, sequence models such as RNN, GRUs, and,…

Information Retrieval · Computer Science 2024-08-27 Yaoyiran Li , Xiang Zhai , Moustafa Alzantot , Keyi Yu , Ivan Vulić , Anna Korhonen , Mohamed Hammad

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

Large language models (LLMs) excel at capturing semantic nuances and therefore show impressive relevance ranking performance in modern recommendation and search systems. However, they suffer from high computational overhead under industrial…

Large Language Models (LLMs) are being increasingly used as synthetic agents in social science, in applications ranging from augmenting survey responses to powering multi-agent simulations. This paper outlines cautions that should be taken…

Artificial Intelligence · Computer Science 2025-10-29 Emma Rose Madden

Pre-trained large language models (LLM) have emerged as a powerful tool for simulating various scenarios and generating output given specific instructions and multimodal input. In this work, we analyze the specific use of LLM to enhance a…

Machine Learning · Computer Science 2024-05-10 Yuhang Wu , Yingfei Wang , Chu Wang , Zeyu Zheng

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. However, molecule optimization, a critical task in the drug…

Quantitative Methods · Quantitative Biology 2024-01-22 Geyan Ye , Xibao Cai , Houtim Lai , Xing Wang , Junhong Huang , Longyue Wang , Wei Liu , Xiangxiang Zeng

The versatility of large language models (LLMs) has been explored across various sectors, but their application in healthcare poses challenges, particularly in the domain of pharmaceutical contraindications where accurate and reliable…

Artificial Intelligence · Computer Science 2025-08-11 Byeonghun Bang , Jongsuk Yoon , Dong-Jin Chang , Seho Park , Yong Oh Lee

Instruction tuning is crucial for aligning Large Language Models (LLMs), yet the quality of instruction-following data varies significantly. While high-quality data is paramount, it is often scarce; conversely, abundant low-quality data is…

Computation and Language · Computer Science 2025-10-24 Zhijie Deng , Zhouan Shen , Ling Li , Yao Zhou , Zhaowei Zhu , Yanji He , Wei Wang , Jiaheng Wei

Pretrained language models (LMs) showcase significant capabilities in processing molecular text, while concurrently, message passing neural networks (MPNNs) demonstrate resilience and versatility in the domain of molecular science. Despite…

Machine Learning · Computer Science 2025-06-17 Jiaqing Xie , Ziheng Chi

Adapting pretrained large language models (LLMs) to various downstream tasks in tens or hundreds of human languages is computationally expensive. Parameter-efficient fine-tuning (PEFT) significantly reduces the adaptation cost, by tuning…

Computation and Language · Computer Science 2024-08-02 Chu-Cheng Lin , Xinyi Wang , Jonathan H. Clark , Han Lu , Yun Zhu , Chenxi Whitehouse , Hongkun Yu

Large Language Models (LLMs) have demonstrated remarkable adaptability, showcasing their capacity to excel in tasks for which they were not explicitly trained. However, despite their impressive natural language processing (NLP)…

Computation and Language · Computer Science 2023-09-08 Supun Manathunga , Isuru Hettigoda

Gaining insight into the potential negative impacts of emerging Artificial Intelligence (AI) technologies in society is a challenge for implementing anticipatory governance approaches. One approach to produce such insight is to use Large…

Computation and Language · Computer Science 2024-05-22 Mowafak Allaham , Nicholas Diakopoulos

Advances in Large Language Models (LLMs) paved the way for their emerging applications in various domains, such as human behavior simulations, where LLMs could augment human-generated data in social science research and machine learning…

Machine Learning · Computer Science 2025-04-08 Ngoc Bui , Hieu Trung Nguyen , Shantanu Kumar , Julian Theodore , Weikang Qiu , Viet Anh Nguyen , Rex Ying