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Generating a novel and optimized molecule with desired chemical properties is an essential part of the drug discovery process. Failure to meet one of the required properties can frequently lead to failure in a clinical test which is costly.…

Machine Learning · Computer Science 2020-10-28 Bonggun Shin , Sungsoo Park , JinYeong Bak , Joyce C. Ho

This effort examines the intersection of the emerging field of quantum computing and the more established field of evolutionary computation. The goal is to understand what benefits quantum computing might offer to computational intelligence…

Neural and Evolutionary Computing · Computer Science 2008-12-18 Donald A. Sofge

While many optimization problems work with a fixed number of decision variables and thus a fixed-length representation of possible solutions, genetic programming (GP) works on variable-length representations. A naturally occurring problem…

Neural and Evolutionary Computing · Computer Science 2018-06-07 Benjamin Doerr , Timo Kötzing , J. A. Gregor Lagodzinski , Johannes Lengler

We propose genetic algorithms, which are robust optimization techniques inspired by natural selection, to enhance the versatility of digital quantum simulations. In this sense, we show that genetic algorithms can be employed to increase the…

Quantum Physics · Physics 2016-06-22 U. Las Heras , U. Alvarez-Rodriguez , E. Solano , M. Sanz

The genetic code is profoundly shaped by an origin in ancient RNA-mediated interactions, needing an extended development to reach the Standard Genetic Code (SGC). That development can serially use RNA specificities, a ribonucleopeptide…

Populations and Evolution · Quantitative Biology 2024-06-13 Michael Yarus

This work deals with the optimization of computer programs targeting Graphics Processing Units (GPUs). The goal is to lift, from programmers to optimizing compilers, the heavy burden of determining program details that are dependent on the…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-16 Xiaohui Chen , Marc Moreno-Maza , Jeeva Paudel , Ning Xie

We consider learning problems of an intuitive and concise preference model, called lexicographic preference lists (LP-lists). Given a set of examples that are pairwise ordinal preferences over a universe of objects built of attributes of…

Artificial Intelligence · Computer Science 2019-09-20 Ahmed Moussa , Xudong Liu

Genetic algorithms are modeled after the biological evolutionary processes that use natural selection to select the best species to survive. They are heuristics based and low cost to compute. Genetic algorithms use selection, crossover, and…

Neural and Evolutionary Computing · Computer Science 2020-05-28 Mee Seong Im , Venkat R. Dasari

A recent line of ground-breaking results for permutation-based SGD has corroborated a widely observed phenomenon: random permutations offer faster convergence than with-replacement sampling. However, is random optimal? We show that this…

Machine Learning · Computer Science 2021-11-29 Shashank Rajput , Kangwook Lee , Dimitris Papailiopoulos

Diversity is an important factor in evolutionary algorithms to prevent premature convergence towards a single local optimum. In order to maintain diversity throughout the process of evolution, various means exist in literature. We analyze…

Neural and Evolutionary Computing · Computer Science 2018-10-31 Thomas Gabor , Lenz Belzner , Claudia Linnhoff-Popien

A normative approach called Similarity Matching was recently introduced for deriving and understanding the algorithmic basis of neural computation focused on unsupervised problems. It involves deriving algorithms from computational…

Neural and Evolutionary Computing · Computer Science 2023-10-02 Yanis Bahroun , Dmitri B. Chklovskii , Anirvan M. Sengupta

Pre-trained Generative Language models (e.g. PLBART, CodeT5, SPT-Code) for source code yielded strong results on several tasks in the past few years, including code generation and translation. These models have adopted varying pre-training…

Programming Languages · Computer Science 2022-07-07 Saikat Chakraborty , Toufique Ahmed , Yangruibo Ding , Premkumar Devanbu , Baishakhi Ray

Genetic Programming is an evolutionary algorithm that generates computer programs, or mathematical expressions, to solve complex problems. In this Guide, we demonstrate how to use Genetic Programming to develop surrogate models to mitigate…

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

Recent advancements have highlighted that large language models (LLMs), when given a small set of task-specific examples, demonstrate remarkable proficiency, a capability that extends to complex reasoning tasks. In particular, the…

Computation and Language · Computer Science 2026-02-03 Mathurin Videau , Alessandro Leite , Marc Schoenauer , Olivier Teytaud

Almost all neural computations involve making predictions. Whether an organism is trying to catch prey, avoid predators, or simply move through a complex environment, the data it collects through its senses can guide its actions only to the…

Neurons and Cognition · Quantitative Biology 2015-07-02 Jared Salisbury , Stephanie E. Palmer

Many biological systems approach physical limits to their performance, motivating the idea that their behavior and underlying mechanisms could be determined by such optimality. Nevertheless, optimization as a predictive principle has only…

Biological Physics · Physics 2023-12-05 Thomas R Sokolowski , Thomas Gregor , William Bialek , Gašper Tkačik

The genesis of the stand genetic code is considered as a result of a fusion of two AU- and GC-codes distributed in two dominant and two recessive domains. The fusion of these codes is described with simple empirical rules. This formal…

Other Quantitative Biology · Quantitative Biology 2020-04-21 A. Nesterov-Mueller , R. Popov

The emergence of mutant lineages within a viral species has become a public health problem, as the existing treatments and drugs are usually more effective on the original lineages than in the mutant ones. The following manuscript presents…

We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by quantum mechanics. We propose a specific parameterization of…

Quantum Physics · Physics 2024-02-20 Davide Castaldo , Marta Rosa , Stefano Corni