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Accurate prediction of protein-ligand binding affinity is crucial for rapid and efficient drug development. Recently, the importance of predicting binding affinity has led to increased attention on research that models the three-dimensional…

Machine Learning · Computer Science 2024-07-17 Seungyeon Choi , Sangmin Seo , Sanghyun Park

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge…

Quantitative Methods · Quantitative Biology 2024-06-11 Junfeng Fang , Shuai Zhang , Chang Wu , Zhengyi Yang , Zhiyuan Liu , Sihang Li , Kun Wang , Wenjie Du , Xiang Wang

Cross-lingual transfer (XLT) is an emergent ability of multilingual language models that preserves their performance on a task to a significant extent when evaluated in languages that were not included in the fine-tuning process. While…

Computation and Language · Computer Science 2023-10-27 Taejun Yun , Jinhyeon Kim , Deokyeong Kang , Seong Hoon Lim , Jihoon Kim , Taeuk Kim

Speech, language, and communication deficits are present in most neurodegenerative syndromes. They enable the early detection, diagnosis, treatment planning, and monitoring of neurocognitive disease progression as part of traditional…

Computation and Language · Computer Science 2023-12-07 Charalambos Themistocleous , Kyrana Tsapkini , Dimitrios Kokkinakis

Machine learning is increasingly used to select which individuals receive limited-resource interventions in domains such as human services, education, development, and more. However, it is often not apparent what the right quantity is for…

Machine Learning · Computer Science 2025-03-20 Vibhhu Sharma , Bryan Wilder

Multimodal artificial intelligence (AI) systems have the potential to enhance clinical decision-making by interpreting various types of medical data. However, the effectiveness of these models across all medical fields is uncertain. Each…

Although large-scale pretrained language models, such as BERT and RoBERTa, have achieved superhuman performance on in-distribution test sets, their performance suffers on out-of-distribution test sets (e.g., on contrast sets). Building…

Computation and Language · Computer Science 2020-11-13 Chuanrong Li , Lin Shengshuo , Leo Z. Liu , Xinyi Wu , Xuhui Zhou , Shane Steinert-Threlkeld

Context: User intent modeling is a crucial process in Natural Language Processing that aims to identify the underlying purpose behind a user's request, enabling personalized responses. With a vast array of approaches introduced in the…

While achieving state-of-the-art results in multiple tasks and languages, translation-based cross-lingual transfer is often overlooked in favour of massively multilingual pre-trained encoders. Arguably, this is due to its main limitations:…

Computation and Language · Computer Science 2021-07-26 Edoardo Maria Ponti , Julia Kreutzer , Ivan Vulić , Siva Reddy

In a clinical trial, the random allocation aims to balance prognostic factors between arms, preventing true confounders. However, residual differences due to chance may introduce near-confounders. Adjusting on prognostic factors is…

Methodology · Statistics 2024-11-18 Joe de Keizer , Rémi Lenain , Raphaël Porcher , Sarah Zoha , Arthur Chatton , Yohann Foucher

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate…

Machine Learning · Computer Science 2024-07-02 Ben Fauber

Randomized clinical trials are the gold standard for analyzing treatment effects, but high costs and ethical concerns can limit recruitment, potentially leading to invalid inferences. Incorporating external trial data with similar…

Methodology · Statistics 2024-09-09 Yujia Gu , Hanzhong Liu , Wei Ma

Large Language Models (LLMs) are increasingly deployed in medicine. However, their utility in non-generative clinical prediction, often presumed inferior to specialized models, remains under-evaluated, leading to ongoing debate within the…

We present a framework for training large language models (LLMs) as diagnostic agents with reinforcement learning, enabling them to manage multi-turn interactive diagnostic processes, adaptively select examinations, and commit to final…

Computation and Language · Computer Science 2026-02-11 Pengcheng Qiu , Chaoyi Wu , Junwei Liu , Qiaoyu Zheng , Yusheng Liao , Haowen Wang , Yun Yue , Qianrui Fan , Shuai Zhen , Jian Wang , Jinjie Gu , Yanfeng Wang , Ya Zhang , Weidi Xie

AI researchers and practitioners increasingly apply large language models (LLMs) to what we call reasoning-intensive regression (RiR), i.e., deducing subtle numerical scores from text. Unlike standard language regression tasks such as…

Computation and Language · Computer Science 2026-05-04 Diane Tchuindjo , Omar Khattab

PET theranostics is transforming precision oncology, yet treatment response varies substantially; many patients receiving 177Lu-PSMA radioligand therapy (RLT) for metastatic castration-resistant prostate cancer (mCRPC) fail to respond,…

User behavior sequences in modern recommendation systems exhibit significant length heterogeneity, ranging from sparse short-term interactions to rich long-term histories. While longer sequences provide more context, we observe that…

Artificial Intelligence · Computer Science 2026-01-28 Zhicheng Zhang , Zhaocheng Du , Jieming Zhu , Jiwei Tang , Fengyuan Lu , Wang Jiaheng , Song-Li Wu , Qianhui Zhu , Jingyu Li , Hai-Tao Zheng , Zhenhua Dong

Clinical diagnosis requires sequential evidence acquisition under uncertainty. However, most Large Language Model (LLM) based diagnostic systems assume fully observed patient information and therefore do not explicitly model how clinical…

Artificial Intelligence · Computer Science 2026-04-08 Xuyang Shen , Haoran Liu , Dongjin Song , Martin Renqiang Min

Agent benchmarks remain largely English-centric, while their multilingual versions are often built with machine translation (MT) and limited post-editing. We argue that, for agentic tasks, this minimal workflow can easily break benchmark…

Computation and Language · Computer Science 2026-04-29 Yunsu Kim , Kaden Uhlig , Joern Wuebker

Applications of large language models (LLMs) like ChatGPT have potential to enhance clinical decision support through conversational interfaces. However, challenges of human-algorithmic interaction and clinician trust are poorly understood.…

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