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Artificial Intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Artificial Intelligence · Computer Science 2019-10-11 Vaishak Belle

The approval success rate of drug candidates is very low with the majority of failure due to safety and efficacy. Increasingly available high dimensional information on targets, drug molecules and indications provides an opportunity for ML…

Machine Learning · Computer Science 2022-07-27 Onuralp Soylemez

We identify fundamental issues with discretization when estimating information-theoretic quantities in the analysis of data. These difficulties are theoretical in nature and arise with discrete datasets carrying significant implications for…

Quantitative Methods · Quantitative Biology 2014-06-24 Venkateshan Kannan , Jesper Tegnèr

The study of complex systems has attracted widespread attention from researchers in the fields of natural sciences, social sciences, and engineering. Prediction is one of the central issues in this field. Although most related studies have…

Physics and Society · Physics 2025-10-21 En Xu , Yilin Bi , Hongwei Hu , Xin Chen , Zhiwen Yu , Yong Li , Yanqing Hu , Tao Zhou

Predicting protein-protein interactions from sequences is an important goal of computational biology. Various sources of information can be used to this end. Starting from the sequences of two interacting protein families, one can use…

Biomolecules · Quantitative Biology 2023-04-26 Carlos A. Gandarilla-Perez , Sergio Pinilla , Anne-Florence Bitbol , Martin Weigt

Synthetic biologists have made great progress over the past decade in developing methods for modular assembly of genetic sequences and in engineering biological systems with a wide variety of functions in various contexts and organisms.…

Biological phenotypes are products of complex evolutionary processes in which selective forces influence multiple biological trait measurements in unknown ways. Phylogenetic factor analysis disentangles these relationships across the…

To build general-purpose artificial intelligence systems that can deal with unknown variables across unknown domains, we need benchmarks that measure how well these systems perform on tasks they have never seen before. A prerequisite for…

Artificial Intelligence · Computer Science 2022-05-25 Gautham Venkatasubramanian , Sibesh Kar , Abhimanyu Singh , Shubham Mishra , Dushyant Yadav , Shreyansh Chandak

Recent developments in sequential experimental design look to construct a policy that can efficiently navigate the design space, in a way that maximises the expected information gain. Whilst there is work on achieving tractable policies for…

Machine Learning · Computer Science 2025-08-20 Yasir Zubayr Barlas , Kizito Salako

We consider biological individuality in terms of information theoretic and graphical principles. Our purpose is to extract through an algorithmic decomposition system-environment boundaries supporting individuality. We infer or detect…

Populations and Evolution · Quantitative Biology 2014-12-09 David Krakauer , Nils Bertschinger , Eckehard Olbrich , Nihat Ay , Jessica C. Flack

Ongoing progress in computational intelligence (CI) has led to an increased desire to apply CI techniques for the purpose of improving software engineering processes, particularly software testing. Existing state-of-the-art automated…

Neural and Evolutionary Computing · Computer Science 2023-02-16 Jarrod Goschen , Anna Sergeevna Bosman , Stefan Gruner

When we test a theory using data, it is common to focus on correctness: do the predictions of the theory match what we see in the data? But we also care about completeness: how much of the predictable variation in the data is captured by…

Machine Learning · Computer Science 2017-06-22 Jon Kleinberg , Annie Liang , Sendhil Mullainathan

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

The primary aim of automated performance improvement is to reduce the running time of programs while maintaining (or improving on) functionality. In this paper, Genetic Programming is used to find performance improvements in regular…

Neural and Evolutionary Computing · Computer Science 2017-04-14 Brendan Cody-Kenny , Michael Fenton , Adrian Ronayne , Eoghan Considine , Thomas McGuire , Michael O'Neill

This paper focuses on the analysis of the application effectiveness of the integration of deep learning and computer vision technologies. Deep learning achieves a historic breakthrough by constructing hierarchical neural networks, enabling…

Computer Vision and Pattern Recognition · Computer Science 2023-12-21 Bo Liu , Liqiang Yu , Chang Che , Qunwei Lin , Hao Hu , Xinyu Zhao

As computer scientists working in bioinformatics/computational biology, we often face the challenge of coming up with an algorithm to answer a biological question. This occurs in many areas, such as variant calling, alignment, and assembly.…

Data Structures and Algorithms · Computer Science 2018-01-04 Paul Medvedev

Research efforts of the past fifty years have led to a development of linear integer programming as a mature discipline of mathematical optimization. Such a level of maturity has not been reached when one considers nonlinear systems subject…

Optimization and Control · Mathematics 2017-01-03 Raymond Hemmecke , Matthias Köppe , Jon Lee , Robert Weismantel

Bayesian inference has theoretical attractions as a principled framework for reasoning about beliefs. However, the motivations of Bayesian inference which claim it to be the only 'rational' kind of reasoning do not apply in practice. They…

Machine Learning · Statistics 2022-11-14 Sebastian Farquhar

Evaluations of generative models are now ubiquitous, and their outcomes critically shape public and scientific expectations of AI's capabilities. Yet skepticism about their reliability continues to grow. How can we know that a reported…

Artificial Intelligence · Computer Science 2026-05-19 Nathanael Jo , Ashia Wilson

Boolean functions are mathematical objects with numerous applications in domains like coding theory, cryptography, and telecommunications. Finding Boolean functions with specific properties is a complex combinatorial optimization problem…

Neural and Evolutionary Computing · Computer Science 2023-02-14 Marko Djurasevic , Domagoj Jakobovic , Luca Mariot , Stjepan Picek