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Equilibrium sampling of biomolecules remains an unmet challenge after more than 30 years of atomistic simulation. Efforts to enhance sampling capability, which are reviewed here, range from the development of new algorithms to…

Biomolecules · Quantitative Biology 2010-09-16 Daniel M. Zuckerman

In multi-task learning, multiple tasks are solved jointly, sharing inductive bias between them. Multi-task learning is inherently a multi-objective problem because different tasks may conflict, necessitating a trade-off. A common compromise…

Machine Learning · Computer Science 2019-01-14 Ozan Sener , Vladlen Koltun

Multi-label classification consists in classifying an instance into two or more classes simultaneously. It is a very challenging task present in many real-world applications, such as classification of biology, image, video, audio, and text.…

Machine Learning · Computer Science 2020-04-03 Thiago Zafalon Miranda , Diorge Brognara Sardinha , Márcio Porto Basgalupp , Yaochu Jin , Ricardo Cerri

Autonomous methods to align beamlines can decrease the amount of time spent on diagnostics, and also uncover better global optima leading to better beam quality. The alignment of these beamlines is a high-dimensional, expensive-to-sample…

The theoretical analysis of performance has been an important tool in the engineering of algorithms in many application domains. Its goals are to predict the empirical performance of an algorithm and to be a yardstick that drives the design…

Data Structures and Algorithms · Computer Science 2022-11-15 Paul Medvedev

Applying machine learning to biological sequences - DNA, RNA and protein - has enormous potential to advance human health, environmental sustainability, and fundamental biological understanding. However, many existing machine learning…

Machine Learning · Statistics 2023-04-11 Alan Nawzad Amin , Eli Nathan Weinstein , Debora Susan Marks

Decoding approaches are widely used in neuroscience and machine learning to compare stimulus representations across neural systems, such as different brain regions, organisms, and deep learning models. Popular methods include decoding…

Neurons and Cognition · Quantitative Biology 2026-05-08 Johannes Bertram , Luciano Dyballa , T. Anderson Keller , Savik Kinger , Steven W. Zucker

Artificial and biological systems may evolve similar computational solutions despite fundamental differences in architecture and learning mechanisms -- a form of convergent evolution. We demonstrate this phenomenon through large-scale…

Neurons and Cognition · Quantitative Biology 2025-07-04 Guobin Shen , Dongcheng Zhao , Yiting Dong , Qian Zhang , Yi Zeng

Rapid development of evolutionary algorithms in handling many-objective optimization problems requires viable methods of visualizing a high-dimensional solution set. Parallel coordinates which scale well to high-dimensional data are such a…

Neural and Evolutionary Computing · Computer Science 2017-05-02 Miqing Li , Liangli Zhen , Xin Yao

In this short note, we discuss a goal-oriented multiobjective optimization problem for system performance assessment. The objective function for such optimization problem, which is usually a composite of different performance indices…

Optimization and Control · Mathematics 2020-06-12 Getachew K Befekadu

Multi-modal multi-objective optimization is to locate (almost) equivalent Pareto optimal solutions as many as possible. While decomposition-based evolutionary algorithms have good performance for multi-objective optimization, they are…

Neural and Evolutionary Computing · Computer Science 2020-10-01 Ryoji Tanabe , Hisao Ishibuchi

We consider linear problems in the worst case setting. That is, given a linear operator and a pool of admissible linear measurements, we want to approximate the values of the operator uniformly on a convex and balanced set by means of…

Numerical Analysis · Mathematics 2024-03-05 David Krieg , Peter Kritzer

Biclustering is an unsupervised machine learning technique that simultaneously clusters rows and columns in a data matrix. Biclustering has emerged as an important approach and plays an essential role in various applications such as…

Machine Learning · Computer Science 2022-03-31 Adan Jose-Garcia , Julie Jacques , Vincent Sobanski , Clarisse Dhaenens

A central problem in comparative genomics consists in computing a (dis-)similarity measure between two genomes, e.g. in order to construct a phylogeny. All the existing measures are defined on genomes without duplicates. However, we know…

Quantitative Methods · Quantitative Biology 2008-12-18 Sébastien Angibaud , Guillaume Fertin , Irena Rusu , Annelyse Thevenin , Stéphane Vialette

Trace alignment algorithms have been used in process mining for discovering the consensus treatment procedures and process deviations. Different alignment algorithms, however, may produce very different results. No widely-adopted method…

Other Computer Science · Computer Science 2017-09-21 Moliang Zhou , Sen Yang , Shuyu Lv , Xinyu Li , Shuhong Chen , Ivan Marsic , Richard Farneth , Randall Burd

The most established method of reconstructing neural circuits from animals involves slicing tissue very thin, then taking mosaics of electron microscope (EM) images. To trace neurons across different images and through different sections,…

Quantitative Methods · Quantitative Biology 2013-04-23 Louis K. Scheffer , Bill Karsh , Shiv Vitaladevun

Genetic programming (GP) is an evolutionary computation technique to solve problems in an automated, domain-independent way. Rather than identifying the optimum of a function as in more traditional evolutionary optimization, the aim of GP…

Neural and Evolutionary Computing · Computer Science 2019-05-15 Andrei Lissovoi , Pietro S. Oliveto

Program synthesis aims to {\it automatically} find programs from an underlying programming language that satisfy a given specification. While this has the potential to revolutionize computing, how to search over the vast space of programs…

Neural and Evolutionary Computing · Computer Science 2022-03-01 Yuan Yuan , Wolfgang Banzhaf

In most computer vision and image analysis problems, it is necessary to define a similarity measure between two or more different objects or images. Template matching is a classic and fundamental method used to score similarities between…

Computer Vision and Pattern Recognition · Computer Science 2016-10-25 Nazanin Sadat Hashemi , Roya Babaie Aghdam , Atieh Sadat Bayat Ghiasi , Parastoo Fatemi

Sequence alignment has had an enormous impact on our understanding of biology, evolution, and disease. The alignment of biological {\em networks} holds similar promise. Biological networks generally model interactions between biomolecules…

Molecular Networks · Quantitative Biology 2019-11-25 Wayne B. Hayes