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Many research directions in machine learning, particularly in deep learning, involve complex, multi-stage experiments, commonly involving state-mutating operations acting on models along multiple paths of execution. Although machine…

Software Engineering · Computer Science 2020-06-16 Michela Paganini , Jessica Zosa Forde

In the genomic era, the identification of gene signatures associated with disease is of significant interest. Such signatures are often used to predict clinical outcomes in new patients and aid clinical decision-making. However, recent…

Methodology · Statistics 2019-03-27 Naim U. Rashid , Quefeng Li , Jen Jen Yeh , Joseph G. Ibrahim

With the need for optimisation based supervisory controllers for complex energy systems, comes the need for reduced order system models representing not only the non-linear characteristics of the components, but also certain unknown process…

Systems and Control · Computer Science 2020-10-22 Parantapa Sawant , Adrian Bürger , Minh Dang Doan , Clemens Felsmann , Jens Pfafferott

Genetic programming (GP) has the potential to generate explainable results, especially when used for dimensionality reduction. In this research, we investigate the potential of leveraging eXplainable AI (XAI) and large language models…

Neural and Evolutionary Computing · Computer Science 2024-03-07 Paula Maddigan , Andrew Lensen , Bing Xue

This paper presents Automatic Algorithm Discoverer (AAD), an evolutionary framework for synthesizing programs of high complexity. To guide evolution, prior evolutionary algorithms have depended on fitness (objective) functions, which are…

Neural and Evolutionary Computing · Computer Science 2019-04-08 Ruchira Sasanka , Konstantinos Krommydas

This paper introduces open-source contributions designed to accelerate research in volumetric multi-material additive manufacturing and metamaterial design. We present a flexible Python-based API facilitating parametric expression of…

Graphics · Computer Science 2025-09-22 Charles Wade , Devon Beck , Robert MacCurdy

The potential benefit of migrating software design from Structured to Object Oriented Paradigm is manifolded including modularity, manageability and extendability. This design migration should be automated as it will reduce the time…

Software Engineering · Computer Science 2018-01-04 Md. Selim , Saeed Siddik , Alim Ul Gias , M. Abdullah-Al-Wadud , Shah Mostafa Khaled

Evolving software is challenging, even more when it exists in many different variants. Such software evolves not only in time, but also in space--another dimension of complexity. While evolution in space is supported by a variety of…

Software Engineering · Computer Science 2021-12-03 Christoph Derks , Daniel Strüber , Thorsten Berger

Machine learning has been gaining traction in recent years to meet the demand for tools that can efficiently analyze and make sense of the ever-growing databases of biomedical data in health care systems around the world. However,…

Neural and Evolutionary Computing · Computer Science 2017-02-08 Andrew Sohn , Randal S. Olson , Jason H. Moore

One of the important questions in biological evolution is to know if certain changes along protein coding genes have contributed to the adaptation of species. This problem is known to be biologically complex and computationally very…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-15 Sébastien Moretti , Riccardo Murri , Sergio Maffioletti , Arnold Kuzniar , Briséïs Castella , Nicolas Salamin , Marc Robinson-Rechavi , Heinz Stockinger

Inspired by the effectiveness of genetic algorithms and the importance of synthesizability in molecular design, we present SynGA, a simple genetic algorithm that operates directly over synthesis routes. Our method features custom crossover…

Machine Learning · Computer Science 2026-03-03 Alston Lo , Connor W. Coley , Wojciech Matusik

Single-cell RNA-seq data allow the quantification of cell type differences across a growing set of biological contexts. However, pinpointing a small subset of genomic features explaining this variability can be ill-defined and…

Machine Learning · Statistics 2022-07-29 Nabeel Sarwar , Wilson Gregory , George A Kevrekidis , Soledad Villar , Bianca Dumitrascu

Self-supervised neural language models have recently found wide applications in generative design of organic molecules and protein sequences as well as representation learning for downstream structure classification and functional…

Materials Science · Physics 2022-09-21 Lai Wei , Nihang Fu , Yuqi Song , Qian Wang , Jianjun Hu

To overcome the computational bottleneck of various data perturbation procedures such as the bootstrap and cross validations, we propose the Generative Multiple-purpose Sampler (GMS), which constructs a generator function to produce…

Methodology · Statistics 2023-10-18 Minsuk Shin , Shijie Wang , Jun S Liu

Phylogeny is the field of modelling the temporal discrete dynamics of speciation. Complex models can nowadays be studied using the Approximate Bayesian Computation approach which avoids likelihood calculations. The field's progression is…

Populations and Evolution · Quantitative Biology 2020-11-23 Krzysztof Bartoszek , Pietro Liò

Representations for black-box optimisation methods (such as evolutionary algorithms) are traditionally constructed using a delicate manual process. This is in contrast to the representation that maps DNAs to phenotypes in biological…

Neural and Evolutionary Computing · Computer Science 2024-07-08 Milton L. Montero , Erwan Plantec , Eleni Nisioti , Joachim W. Pedersen , Sebastian Risi

Mixed-Integer Linear Programs (MIPs) are powerful and flexible tools for modeling a wide range of real-world combinatorial optimization problems. Predict-and-Search methods operate by using a predictive model to estimate promising variable…

Artificial Intelligence · Computer Science 2026-04-21 Junyang Cai , El Mehdi Er Raqabi , Pascal Van Hentenryck , Bistra Dilkina

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

We provide a novel approach to construct generative models for graphs. Instead of using the traditional probabilistic models or deep generative models, we propose to instead find an algorithm that generates the data. We achieve this using…

Machine Learning · Computer Science 2023-04-26 Mihai Babiac , Karolis Martinkus , Roger Wattenhofer

Automatic code generation is frequently used to create implementations of algorithms specifically tuned to particular hardware and application parameters. The code generation process involves the selection of adequate code transformations,…

Performance · Computer Science 2024-08-08 Dominik Ernst , Georg Hager , Markus Holzer , Matthias Knorr , Gerhard Wellein