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Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

Quantitative Methods · Quantitative Biology 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

Machine Learning · Computer Science 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

Transformer-based large language models (LLMs) have achieved strong performance across many natural language processing tasks. Nonetheless, their quadratic computational and memory requirements, particularly in self-attention layers, pose…

Computation and Language · Computer Science 2025-09-03 Fabien Furfaro

Predicting molecular properties is a critical component of drug discovery. Recent advances in deep learning, particularly Graph Neural Networks (GNNs), have enabled end-to-end learning from molecular structures, reducing reliance on manual…

Computation and Language · Computer Science 2025-09-26 Peng Zhou , Lai Hou Tim , Zhixiang Cheng , Kun Xie , Chaoyi Li , Wei Liu , Xiangxiang Zeng

Representation learning is a critical ingredient for natural language processing systems. Recent Transformer language models like BERT learn powerful textual representations, but these models are targeted towards token- and sentence-level…

Computation and Language · Computer Science 2020-05-21 Arman Cohan , Sergey Feldman , Iz Beltagy , Doug Downey , Daniel S. Weld

Since the advent of machine learning, interpretability has remained a persistent challenge, becoming increasingly urgent as generative models support high-stakes applications in drug and material discovery. Recent advances in large language…

Machine Learning · Computer Science 2025-12-10 Jaron Cohen , Alexander G. Hasson , Sara Tanovic

Deep learning approaches achieved significant progress in predicting protein structures. These methods are often applied to protein-protein interactions (PPIs) yet require Multiple Sequence Alignment (MSA) which is unavailable for various…

Machine Learning · Computer Science 2024-06-27 Matan Halfon , Tomer Cohen , Raanan Fattal , Dina Schneidman-Duhovny

This research designs a unified architecture of CTR prediction benchmark (Bench-CTR) platform that offers flexible interfaces with datasets and components of a wide range of CTR prediction models. Moreover, we construct a comprehensive…

Information Retrieval · Computer Science 2025-12-02 Shan Gao , Yanwu Yang

The database systems course is offered as part of an undergraduate computer science degree program in many major universities. A key learning goal of learners taking such a course is to understand how SQL queries are processed in a RDBMS in…

Databases · Computer Science 2021-03-04 Weiguo Wang , Sourav S Bhowmick , Hui Li , Shafiq R Joty , Siyuan Liu , Peng Chen

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Optics · Physics 2025-04-01 Darui Lu , Yang Deng , Jordan M. Malof , Willie J. Padilla

Human leukocyte antigen (HLA) is an important molecule family in the field of human immunity, which recognizes foreign threats and triggers immune responses by presenting peptides to T cells. In recent years, the synthesis of tumor vaccines…

Quantitative Methods · Quantitative Biology 2022-08-10 Meng Wang , Chuqi Lei , Jianxin Wang , Yaohang Li , Min Li

Cancer is a complex disease characterized by uncontrolled cell growth. T cell receptors (TCRs), crucial proteins in the immune system, play a key role in recognizing antigens, including those associated with cancer. Recent advancements in…

Machine Learning · Computer Science 2025-06-12 Taslim Murad , Prakash Chourasia , Sarwan Ali , Imdad Ullah Khan , Murray Patterson

Click-through rate (CTR) prediction is a fundamental task in modern recommender systems. In recent years, the integration of large language models (LLMs) has been shown to effectively enhance the performance of traditional CTR methods.…

Information Retrieval · Computer Science 2026-01-29 Yu Cui , Feng Liu , Jiawei Chen , Xingyu Lou , Changwang Zhang , Jun Wang , Yuegang Sun , Xiaohu Yang , Can Wang

Protein representation learning (PRL) is crucial for understanding structure-function relationships, yet current sequence- and graph-based methods fail to capture the hierarchical organization inherent in protein structures. We introduce…

Machine Learning · Computer Science 2025-09-05 Zhiyu Wang , Arian Jamasb , Mustafa Hajij , Alex Morehead , Luke Braithwaite , Pietro Liò

Modeling feature interactions plays a crucial role in accurately predicting click-through rates (CTR) in advertising systems. To capture the intricate patterns of interaction, many existing models employ matrix-factorization techniques to…

Information Retrieval · Computer Science 2024-11-20 Yu Kang , Junwei Pan , Jipeng Jin , Shudong Huang , Xiaofeng Gao , Lei Xiao

In Natural Language Processing (NLP), Machine Reading Comprehension (MRC) is the task of answering a question based on a given context. To handle questions in the medical domain, modern language models such as BioBERT, SciBERT and even…

Computation and Language · Computer Science 2024-12-16 Saptarshi Sengupta , Connor Heaton , Suhan Cui , Soumalya Sarkar , Prasenjit Mitra

In protein biophysics, the separation between the functionally important residues (forming the active site or binding surface) and those that create the overall structure (the fold) is a well-established and fundamental concept. Identifying…

Biomolecules · Quantitative Biology 2023-10-17 Tianxiao Li , Hongyu Guo , Filippo Grazioli , Mark Gerstein , Martin Renqiang Min

Peptide classification tasks, such as predicting toxicity and HIV inhibition, are fundamental to bioinformatics and drug discovery. Traditional approaches rely heavily on handcrafted encodings of one-dimensional (1D) peptide sequences,…

Artificial Intelligence · Computer Science 2025-11-14 Vincent Schilling , Akshat Dubey , Georges Hattab

Neural network based approaches for sentence relation modeling automatically generate hidden matching features from raw sentence pairs. However, the quality of matching feature representation may not be satisfied due to complex semantic…

Computation and Language · Computer Science 2016-04-01 Peng Li , Heng Huang