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We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

We describe a system called Overton, whose main design goal is to support engineers in building, monitoring, and improving production machine learning systems. Key challenges engineers face are monitoring fine-grained quality, diagnosing…

Machine Learning · Computer Science 2019-09-13 Christopher Ré , Feng Niu , Pallavi Gudipati , Charles Srisuwananukorn

The European Materials and Modelling Ontology (EMMO) is a top-level ontology designed by the European Materials Modelling Council to facilitate semantic interoperability between platforms, models, and tools in computational molecular…

Computational Engineering, Finance, and Science · Computer Science 2020-01-14 Martin Thomas Horsch , Silvia Chiacchiera , Youness Bami , Georg J. Schmitz , Gabriele Mogni , Gerhard Goldbeck , Emanuele Ghedini

The Gene Ontology (GO) project is the largest resource for cataloguing gene function. The combination of solid conceptual underpinnings and a practical set of features have made the GO a widely adopted resource in the research community and…

Genomics · Quantitative Biology 2016-12-07 Pascale Gaudet , Nives Škunca , James C. Hu , Christophe Dessimoz

Exploring the functions of genes and gene products is crucial to a wide range of fields, including medical research, evolutionary biology, and environmental science. However, discovering new functions largely relies on expensive and…

Machine Learning · Computer Science 2025-01-06 Yuwei Miao , Yuzhi Guo , Hehuan Ma , Jingquan Yan , Feng Jiang , Rui Liao , Junzhou Huang

Kernel-phase is a data analysis method based on a generalization of the notion of closure-phase invented in the context of interferometry, but that applies to well corrected diffraction dominated images produced by an arbitrary aperture.…

Instrumentation and Methods for Astrophysics · Physics 2020-04-22 Frantz Martinache , Alban Ceau , Romain Laugier , Jens Kammerer , Mamadou N'Diaye , David Mary , Nick Cvetojevic , Coline Lopez

Motivation: Bacteriophages are viruses infecting bacteria. Being key players in microbial communities, they can regulate the composition/function of microbiome by infecting their bacterial hosts and mediating gene transfer. Recently,…

Genomics · Quantitative Biology 2022-08-15 Jiayu Shang , Xubo Tang , Ruocheng Guo , Yanni Sun

Numerous methods have been implemented that pursue fairness with respect to sensitive features by mitigating biases in machine learning. Yet, the problem settings that each method tackles vary significantly, including the stage of…

Machine Learning · Computer Science 2024-10-23 MaryBeth Defrance , Maarten Buyl , Tijl De Bie

Structure-based drug design (SBDD) aims to efficiently discover high-affinity ligands within vast chemical spaces. However, current generative models struggle with objective misalignment and rigid sampling budgets. We present MolFORM, a…

Computational Engineering, Finance, and Science · Computer Science 2026-02-26 Daiheng Zhang , Zhao Zhang

The design and operation of modern software systems exhibit a shift towards virtualization, containerization and service-based orchestration. Performance capacity engineering and resource utilization tuning become priority requirements in…

Performance · Computer Science 2021-12-22 Attila Klenik , András Pataricza

Most conversational recommendation approaches are either not explainable, or they require external user's knowledge for explaining or their explanations cannot be applied in real time due to computational limitations. In this work, we…

Artificial Intelligence · Computer Science 2021-03-23 Nikolaos Kondylidis , Jie Zou , Evangelos Kanoulas

The traditional social recommendation algorithm ignores the following fact: the preferences of users with trust relationships are not necessarily similar, and the consideration of user preference similarity should be limited to specific…

Information Retrieval · Computer Science 2019-03-13 Wei Peng , Baogui Xin

The ever-increasing demands for intuitive interactions in Virtual Reality has triggered a boom in the realm of Facial Expression Recognition (FER). To address the limitations in existing approaches (e.g., narrow receptive fields and…

Computer Vision and Pattern Recognition · Computer Science 2023-03-24 Yande Li , Mingjie Wang , Minglun Gong , Yonggang Lu , Li Liu

Query and product relevance prediction is a critical component for ensuring a smooth user experience in e-commerce search. Traditional studies mainly focus on BERT-based models to assess the semantic relevance between queries and products.…

Information Retrieval · Computer Science 2025-03-13 Tian Tang , Zhixing Tian , Zhenyu Zhu , Chenyang Wang , Haiqing Hu , Guoyu Tang , Lin Liu , Sulong Xu

Protein language models have emerged as powerful tools for sequence generation, offering substantial advantages in functional optimization and denovo design. However, these models also present significant risks of generating harmful protein…

Artificial Intelligence · Computer Science 2025-07-16 Yuhao Wang , Keyan Ding , Kehua Feng , Zeyuan Wang , Ming Qin , Xiaotong Li , Qiang Zhang , Huajun Chen

Manufacturing advanced materials and products with a specific property or combination of properties is often warranted. To achieve that it is crucial to find out the optimum recipe or processing conditions that can generate the ideal…

Machine Learning · Computer Science 2023-04-20 Hamed Khosravi , Taofeeq Olajire , Ahmed Shoyeb Raihan , Imtiaz Ahmed

With the increased use of AI methods to provide recommendations in the health, specifically in the food dietary recommendation space, there is also an increased need for explainability of those recommendations. Such explanations would…

Artificial Intelligence · Computer Science 2021-05-05 Ishita Padhiar , Oshani Seneviratne , Shruthi Chari , Daniel Gruen , Deborah L. McGuinness

Flow Matching and Transformer architectures have demonstrated remarkable performance in image generation tasks, with recent work FlowAR [Ren et al., 2024] synergistically integrating both paradigms to advance synthesis fidelity. However,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-12 Yingyu Liang , Zhizhou Sha , Zhenmei Shi , Zhao Song , Mingda Wan

A large number of protein sequences are becoming available through the application of novel high-throughput sequencing technologies. Experimental functional characterization of these proteins is time-consuming and expensive, and is often…

Genomics · Quantitative Biology 2017-09-28 Maxat Kulmanov , Mohammed Asif Khan , Robert Hoehndorf
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