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Drug-target interaction (DTI) prediction is a critical component of the drug discovery process. In the drug development engineering field, predicting novel drug-target interactions is extremely crucial.However, although existing methods…

Biomolecules · Quantitative Biology 2024-05-24 Hongzhi Zhang , Xiuwen Gong , Shirui Pan , Jia Wu , Bo Du , Wenbin Hu

The exponential growth of Large Language Models (LLMs) continues to highlight the need for efficient strategies to meet ever-expanding computational and data demands. This survey provides a comprehensive analysis of two complementary…

Large language models (LLMs) can learn vast amounts of knowledge from diverse domains during pre-training. However, long-tail knowledge from specialized domains is often scarce and underrepresented, rarely appearing in the models'…

Computation and Language · Computer Science 2025-02-11 Shuyang Yu , Runxue Bao , Parminder Bhatia , Taha Kass-Hout , Jiayu Zhou , Cao Xiao

Large Language Models (LLMs) have emerged as powerful learning tools, but they lack awareness of learners' cognitive and physiological states, limiting their adaptability to the user's learning style. Contemporary learning techniques…

Human-Computer Interaction · Computer Science 2026-01-29 Ananya Shukla , Chaitanya Modi , Satvik Bajpai , Siddharth Siddharth

Accurate and safe medication recommendations are critical for effective clinical decision-making, especially in multimorbidity cases. However, existing systems rely on point-wise prediction paradigms that overlook synergistic drug effects…

Machine Learning · Computer Science 2026-05-19 Chenxiao Fan , Chongming Gao , Wentao Shi , Yaxin Gong , Zihao Zhao , Fuli Feng

Multimodal large language models (MLLMs) have shown remarkable capabilities in multimodal perception and understanding tasks. However, their effectiveness in specialized domains, such as remote sensing and medical imaging, remains limited.…

Computation and Language · Computer Science 2026-02-05 Qinglong Cao , Yuntian Chen , Chao Ma , Xiaokang Yang

Large Language Models (LLMs) are effective for data augmentation in classification tasks like intent detection. In some cases, they inadvertently produce examples that are ambiguous with regard to untargeted classes. We present DDAIR…

Computation and Language · Computer Science 2026-01-19 Galo Castillo-López , Alexis Lombard , Nasredine Semmar , Gaël de Chalendar

The recent breakthrough of large language models (LLMs) in natural language processing has sparked exploration in recommendation systems, however, their limited domain-specific knowledge remains a critical bottleneck. Specifically, LLMs…

Information Retrieval · Computer Science 2025-10-03 Xiaohan Yu , Li Zhang , Xin Zhao , Yue Wang

Drug-target interaction (DTI) prediction plays a very important role in drug development and drug discovery. Biochemical experiments or \textit{in vitro} methods are very expensive, laborious and time-consuming. Therefore, \textit{in…

Machine Learning · Computer Science 2018-05-04 Ratha Pech , Dong Hao , Yan-Li Lee , Maryna Po , Tao Zhou

Recent advancements in tool learning have enabled large language models (LLMs) to integrate external tools, enhancing their task performance by expanding their knowledge boundaries. However, relying on tools often introduces tradeoffs…

Computation and Language · Computer Science 2025-03-11 Hongshen Xu , Zihan Wang , Zichen Zhu , Lei Pan , Xingyu Chen , Lu Chen , Kai Yu

Identifying and discovering drug-target interactions(DTIs) are vital steps in drug discovery and development. They play a crucial role in assisting scientists in finding new drugs and accelerating the drug development process. Recently,…

Quantitative Methods · Quantitative Biology 2023-11-15 Wenting Ye , Chen Li , Yang Xie , Wen Zhang , Hong-Yu Zhang , Bowen Wang , Debo Cheng , Zaiwen Feng

Despite the advanced intelligence abilities of large language models (LLMs) in various applications, they still face significant computational and storage demands. Knowledge Distillation (KD) has emerged as an effective strategy to improve…

Accurate prediction of drug-drug interactions (DDI) is crucial for medication safety and effective drug development. However, existing methods often struggle to capture structural information across different scales, from local functional…

Machine Learning · Computer Science 2026-03-27 Zimo Yan , Jie Zhang , Zheng Xie , Yiping Song , Hao Li

Recently embedding-based retrieval or dense retrieval have shown state of the art results, compared with traditional sparse or bag-of-words based approaches. This paper introduces a model-agnostic doc-level embedding framework through large…

Information Retrieval · Computer Science 2024-04-10 Mingrui Wu , Sheng Cao

The growing complexity of power systems has made accurate load forecasting more important than ever. An increasing number of advanced load forecasting methods have been developed. However, the static design of current methods offers no…

Machine Learning · Computer Science 2025-05-23 Yu Zuo , Dalin Qin , Yi Wang

Characterizing interactions between drugs is important to avoid potentially harmful combinations, to reduce off-target effects of treatments and to fight antibiotic resistant pathogens, among others. Here we present a network inference…

Molecular Networks · Quantitative Biology 2014-11-07 Roger Guimera , Marta Sales-Pardo

Background: Identification of the interactions and regulatory relations between biomolecules play pivotal roles in understanding complex biological systems and the mechanisms underlying diverse biological functions. However, the collection…

Computation and Language · Computer Science 2025-04-24 Gilchan Park , Byung-Jun Yoon , Xihaier Luo , Vanessa López-Marrero , Shinjae Yoo , Shantenu Jha

Empowered by vast internal knowledge reservoir, the new generation of large language models (LLMs) demonstrate untapped potential to tackle medical tasks. However, there is insufficient effort made towards summoning up a synergic effect…

Computation and Language · Computer Science 2025-05-23 Kexin Shang , Chia-Hsuan Chang , Christopher C. Yang

Subgraph-based methods have proven to be effective and interpretable in predicting drug-drug interactions (DDIs), which are essential for medical practice and drug development. Subgraph selection and encoding are critical stages in these…

Machine Learning · Computer Science 2024-11-05 Haotong Du , Quanming Yao , Juzheng Zhang , Yang Liu , Zhen Wang

We propose a general-purpose approach for improving the ability of large language models (LLMs) to intelligently and adaptively gather information from a user or other external source using the framework of sequential Bayesian experimental…

Computation and Language · Computer Science 2026-04-22 Deepro Choudhury , Sinead Williamson , Adam Goliński , Ning Miao , Freddie Bickford Smith , Michael Kirchhof , Yizhe Zhang , Tom Rainforth