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Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in solving challenging problems across various aspects of…

Computational Engineering, Finance, and Science · Computer Science 2022-10-11 Wenhao Gao , Tianfan Fu , Jimeng Sun , Connor W. Coley

Object-centric process mining is a novel branch of process mining that aims to analyze event data from mainstream information systems (such as SAP) more naturally, without being forced to form mutually exclusive groups of events with the…

Databases · Computer Science 2022-09-21 Alessandro Berti , Wil van der Aalst

Deep learning systems frequently fail at out-of-context (OOC) prediction, the problem of making reliable predictions on uncommon or unusual inputs or subgroups of the training distribution. To this end, a number of benchmarks for measuring…

Machine Learning · Computer Science 2021-10-27 David Madras , Richard Zemel

Computational analyses of, e.g., genomic, proteomic, or metabolomic data, commonly result in one or more sets of candidate genes, proteins, or enzymes. These sets are often the outcome of clustering algorithms. Subsequently, it has to be…

Genomics · Quantitative Biology 2007-06-26 Robbe Wunschiers , Martin Vellguth

Storage systems have a strong need for substantially improving their error correction capabilities, especially for long-term storage where the accumulating errors can exceed the decoding threshold of error-correcting codes (ECCs). In this…

Information Theory · Computer Science 2018-11-12 Pulakesh Upadhyaya , Anxiao , Jiang

Traditional machine learning follows a close-set assumption that the training and test set share the same label space. While in many practical scenarios, it is inevitable that some test samples belong to unknown classes (open-set). To fix…

Machine Learning · Computer Science 2023-02-23 Zitai Wang , Qianqian Xu , Zhiyong Yang , Yuan He , Xiaochun Cao , Qingming Huang

Customers of machine learning systems demand accountability from the companies employing these algorithms for various prediction tasks. Accountability requires understanding of system limit and condition of erroneous predictions, as…

Machine Learning · Computer Science 2021-05-12 Amita Misra , Zhe Liu , Jalal Mahmud

Understanding protein-protein interactions is central to our understanding of almost all complex biological processes. Computational tools exploiting rapidly growing genomic databases to characterize protein-protein interactions are…

Quantitative Methods · Quantitative Biology 2016-10-28 Thomas Gueudré , Carlo Baldassi , Marco Zamparo , Martin Weigt , Andrea Pagnani

Anomalies are ubiquitous in all scientific fields and can express an unexpected event due to incomplete knowledge about the data distribution or an unknown process that suddenly comes into play and distorts observations. Due to such events'…

Computer Vision and Pattern Recognition · Computer Science 2021-12-14 Fabio Valerio Massoli , Fabrizio Falchi , Alperen Kantarci , Şeymanur Akti , Hazim Kemal Ekenel , Giuseppe Amato

Classification of proteins based on their structure provides a valuable resource for studying protein structure, function and evolutionary relationships. With the rapidly increasing number of known protein structures, manual and…

Computational Engineering, Finance, and Science · Computer Science 2009-07-14 Oktie Hassanzadeh

Thousands of users consult digital archives daily, but the information they can access is unrepresentative of the diversity of documentary history. The sequence-to-sequence architecture typically used for optical character recognition (OCR)…

Computer Vision and Pattern Recognition · Computer Science 2024-07-29 Jacob Carlson , Tom Bryan , Melissa Dell

Out-of-distribution (OOD) generalization is challenging because distribution shifts come in many forms. Numerous algorithms exist to address specific settings, but choosing the right training algorithm for the right dataset without trial…

Machine Learning · Computer Science 2025-06-03 Liangze Jiang , Damien Teney

Selective classification (or classification with a reject option) pairs a classifier with a selection function to determine whether or not a prediction should be accepted. This framework trades off coverage (probability of accepting a…

Machine Learning · Computer Science 2023-02-23 Andrea Pugnana , Salvatore Ruggieri

Achieving better exploitation and exploration capabilities (EEC) have always been an important yet challenging issue in the design of evolutionary optimization algorithm (EOA). The difficulties lie in obtaining a good balance in EEC, which…

Neural and Evolutionary Computing · Computer Science 2020-05-15 Sheng Xin Zhang , Wing Shing Chan , Zi Kang Peng , Shao Yong Zheng , Kit Sang Tang

One-class classification (OCC) is a longstanding method for anomaly detection. With the powerful representation capability of the pre-trained backbone, OCC methods have witnessed significant performance improvements. Typically, most of…

Computer Vision and Pattern Recognition · Computer Science 2023-08-28 Han Gao , Huiyuan Luo , Fei Shen , Zhengtao Zhang

Precision medicine fundamentally aims to establish causality between dysregulated biochemical mechanisms and cancer subtypes. Omics-based cancer subtyping has emerged as a revolutionary approach, as different level of omics records the…

Genomics · Quantitative Biology 2023-08-25 Ziwei Yang , Zheng Chen , Yasuko Matsubara , Yasushi Sakurai

The ACL Anthology is an online repository that serves as a comprehensive collection of publications in the field of natural language processing (NLP) and computational linguistics (CL). This paper presents a tool called ``ACL Anthology…

Computation and Language · Computer Science 2023-11-01 Chen Tang , Frank Guerin , Chenghua Lin

Algorithm Operating System (AlgOS) is an unopinionated, extensible, modular framework for algorithmic implementations. AlgOS offers numerous features: integration with Optuna for automated hyperparameter tuning; automated argument parsing…

Software Engineering · Computer Science 2025-04-08 Llewyn Salt , Marcus Gallagher

Recent machine learning approaches have been effective in Artificial Intelligence (AI) applications. They produce robust results with a high level of accuracy. However, most of these techniques do not provide human-understandable…

Artificial Intelligence · Computer Science 2022-10-03 Quoc Hung Ngo , Tahar Kechadi , Nhien-An Le-Khac

Optical Character Recognition has been a challenging field in the advent of digital computers. It is needed where information is to be readable both to humans and machines. The process of OCR is composed of a set of pre and post processing…

Computer Vision and Pattern Recognition · Computer Science 2018-01-04 Chinmay Chinara , Nishant Nath , Subhajeet Mishra , Sangram Keshari Sahoo , Farida Ashraf Ali