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Generating molecules, both in a directed and undirected fashion, is a huge part of the drug discovery pipeline. Genetic algorithms (GAs) generate molecules by randomly modifying known molecules. In this paper we show that GAs are very…

Neural and Evolutionary Computing · Computer Science 2023-10-16 Austin Tripp , José Miguel Hernández-Lobato

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

Among the evolutionary methods, one that is quite prominent is Genetic Programming, and, in recent years, a variant called Geometric Semantic Genetic Programming (GSGP) has shown to be successfully applicable to many real-world problems.…

Neural and Evolutionary Computing · Computer Science 2022-05-06 Mauro Castelli , Luca Manzoni , Luca Mariot , Giuliamaria Menara , Gloria Pietropolli

Recently, there emerged revived interests of designing automatic programs (e.g., using genetic/evolutionary algorithms) to optimize the structure of Convolutional Neural Networks (CNNs) for a specific task. The challenge in designing such…

Neural and Evolutionary Computing · Computer Science 2018-06-05 Zhe Li , Xuehan Xiong , Zhou Ren , Ning Zhang , Xiaoyu Wang , Tianbao Yang

In evolutionary computation, it is commonly assumed that a search algorithm acquires knowledge about a problem instance by sampling solutions from the search space and evaluating them with a fitness function. This is necessarily inefficient…

Neural and Evolutionary Computing · Computer Science 2024-11-12 Piotr Wyrwiński , Krzysztof Krawiec

Contemporary genetic programming (GP) systems for general program synthesis have been primarily concerned with evolving programs that can manipulate values from a standard set of primitive data types and simple indexed data structures. In…

Neural and Evolutionary Computing · Computer Science 2023-06-09 Edward Pantridge , Thomas Helmuth

There is an abundance of prior research on the optimization of production systems, but there is a research gap when it comes to optimizing which components should be included in a design, and how they should be connected. To overcome this…

Neural and Evolutionary Computing · Computer Science 2024-02-05 N. Paape , J. A. W. M. van Eekelen , M. A. Reniers

The application of Genetic Programming to the discovery of empirical laws is often impaired by the huge size of the search space, and consequently by the computer resources needed. In many cases, the extreme demand for memory and CPU is due…

Artificial Intelligence · Computer Science 2016-08-16 Alain Ratle , Michèle Sebag

Optimizing a neural network's performance is a tedious and time taking process, this iterative process does not have any defined solution which can work for all the problems. Optimization can be roughly categorized into - Architecture and…

Machine Learning · Computer Science 2019-12-16 Siddhartha Dhar Choudhury , Shashank Pandey , Kunal Mehrotra

Multi Expression Programming (MEP) is a Genetic Programming variant that uses a linear representation of chromosomes. MEP individuals are strings of genes encoding complex computer programs. When MEP individuals encode expressions, their…

Neural and Evolutionary Computing · Computer Science 2021-10-04 Mihai Oltean

Genetic algorithms are heuristic optimization techniques inspired by Darwinian evolution. Quantum computation is a new computational paradigm which exploits quantum resources to speed up information processing tasks. Therefore, it is…

Quantum Physics · Physics 2023-02-20 Rubén Ibarrondo , Giancarlo Gatti , Mikel Sanz

Genetic Programming (GP) has been primarily used to tackle optimization, classification, and feature selection related tasks. The widespread use of GP is due to its flexible and comprehensible tree-type structure. Similarly, research is…

Computer Vision and Pattern Recognition · Computer Science 2020-06-29 Asifullah Khan , Aqsa Saeed Qureshi , Noorul Wahab , Mutawara Hussain , Muhammad Yousaf Hamza

Genetic algorithms are heuristic optimization techniques inspired by Darwinian evolution, which are characterized by successfully finding robust solutions for optimization problems. Here, we propose a subroutine-based quantum genetic…

Quantum Physics · Physics 2024-06-07 Rubén Ibarrondo , Giancarlo Gatti , Mikel Sanz

Challenges in natural sciences can often be phrased as optimization problems. Machine learning techniques have recently been applied to solve such problems. One example in chemistry is the design of tailor-made organic materials and…

Neural and Evolutionary Computing · Computer Science 2020-01-17 AkshatKumar Nigam , Pascal Friederich , Mario Krenn , Alán Aspuru-Guzik

Genetic Programming (GP) is a computationally intensive technique which also has a high degree of natural parallelism. Parallel computing architectures have become commonplace especially with regards Graphics Processing Units (GPU). Hence,…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-01-05 Darren M. Chitty

The automatic generation of computer programs is one of the main applications with practical relevance in the field of evolutionary computation. With program synthesis techniques not only software developers could be supported in their…

Neural and Evolutionary Computing · Computer Science 2021-08-30 Dominik Sobania , Dirk Schweim , Franz Rothlauf

Here we propose an evolutionary algorithm that self modifies its operators at the same time that candidate solutions are evolved. This tackles convergence and lack of diversity issues, leading to better solutions. Operators are represented…

Neural and Evolutionary Computing · Computer Science 2017-12-19 Andres Felipe Cruz Salinas , Jonatan Gomez Perdomo

Gene expression programming is an evolutionary optimization algorithm with the potential to generate interpretable and easily implementable equations for regression problems. Despite knowledge gained from previous optimizations being…

Neural and Evolutionary Computing · Computer Science 2025-02-05 Maximilian Reissmann , Yuan Fang , Andrew S. H. Ooi , Richard D. Sandberg

Learning ensembles by bagging can substantially improve the generalization performance of low-bias, high-variance estimators, including those evolved by Genetic Programming (GP). To be efficient, modern GP algorithms for evolving (bagging)…

Neural and Evolutionary Computing · Computer Science 2021-02-08 Marco Virgolin

We present a novel multivariate classification technique based on Genetic Programming. The technique is distinct from Genetic Algorithms and offers several advantages compared to Neural Networks and Support Vector Machines. The technique…

Data Analysis, Statistics and Probability · Physics 2009-11-10 Kyle Cranmer , R. Sean Bowman