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Data-driven approaches are particularly useful for computational materials discovery and design as they can be used for rapidly screening over a very large number of materials, thus suggesting lead candidates for further in-depth…

Materials Science · Physics 2015-07-09 Tran Doan Huan , Arun Mannodi-Kanakkithodi , Rampi Ramprasad

We demonstrate how a genetic algorithm solves the problem of minimizing the resources used for network coding, subject to a throughput constraint, in a multicast scenario. A genetic algorithm avoids the computational complexity that makes…

Neural and Evolutionary Computing · Computer Science 2007-05-23 Minkyu Kim , Varun Aggarwal , Una-May O'Reilly , Muriel Medard , Wonsik Kim

This paper describes the software implementation of genetic algorithm for identifying and selecting most relevant results received during sequentially executed subject search operations. Simulated evolutionary process generates sustainable…

Information Retrieval · Computer Science 2015-04-17 V. K. Ivanov , P. I. Meskin

Lots of bio-inspired research works have been conducted in self-adaptive software. They have focused on the external behavior of biological entities without their genetic material that causes this behavior and constitutes the challenge this…

Software Engineering · Computer Science 2019-04-30 Enas Nafar , Said Ghoul

The mining of pattern subgraphs, known as motifs, is a core task in the field of graph mining. Edges in real-world networks often have timestamps, so there is a need for temporal motif mining. A temporal motif is a richer structure that…

Databases · Computer Science 2025-07-29 Yunjie Pan , Omkar Bhalerao , C. Seshadhri , Nishil Talati

In this paper a novel biclustering algorithm based on artificial intelligence (AI) is introduced. The method called EBIC aims to detect biologically meaningful, order-preserving patterns in complex data. The proposed algorithm is probably…

Machine Learning · Computer Science 2018-07-27 Patryk Orzechowski , Moshe Sipper , Xiuzhen Huang , Jason H. Moore

The genetic algorithm is an optimization procedure motivated by biological evolution and is successfully applied to optimization problems in different areas. A statistical mechanics model for its dynamics is proposed based on the…

Statistical Mechanics · Physics 2009-10-31 Stefan Bornholdt

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

Motivation: Gene selection has become a common task in most gene expression studies. The objective of such research is often to identify the smallest possible set of genes that can still achieve good predictive performance. The problem of…

Creativity, or the ability to produce new useful ideas, is commonly associated to the human being; but there are many other examples in nature where this phenomenon can be observed. Inspired by this fact, in engineering and particularly in…

Sound · Computer Science 2022-01-26 David Daniel Albarracín Molina

Many algorithms and applications involve repeatedly solving variations of the same inference problem; for example we may want to introduce new evidence to the model or perform updates to conditional dependencies. The goal of adaptive…

Data Structures and Algorithms · Computer Science 2012-06-18 Umut A. Acar , Alexander T. Ihler , Ramgopal Mettu , Ozgur Sumer

Drug discovery is a complex process that involves multiple stages and tasks. However, existing molecular generative models can only tackle some of these tasks. We present Generalist Molecular generative model (GenMol), a versatile framework…

Machine Learning · Computer Science 2025-07-24 Seul Lee , Karsten Kreis , Srimukh Prasad Veccham , Meng Liu , Danny Reidenbach , Yuxing Peng , Saee Paliwal , Weili Nie , Arash Vahdat

This work discusses single-objective constrained genetic algorithm with floating-point, integer, binary and permutation representation. Floating-point genetic algorithm tuning with use of test functions is done and leads to a…

Neural and Evolutionary Computing · Computer Science 2022-10-10 Tomasz Tarkowski

A formalism for describing the dynamics of Genetic Algorithms (GAs) using methods from statistical mechanics is applied to the problem of generalization in a perceptron with binary weights. The dynamics are solved for the case where a new…

Condensed Matter · Physics 2009-10-28 Magnus Rattray , Jonathan Shapiro

We introduce a method to find network motifs in knowledge graphs. Network motifs are useful patterns or meaningful subunits of the graph that recur frequently. We extend the common definition of a network motif to coincide with a basic…

Machine Learning · Statistics 2021-04-19 Peter Bloem

One of the most powerful techniques to study protein structures is to look for recurrent fragments (also called substructures or spatial motifs), then use them as patterns to characterize the proteins under study. An emergent trend consists…

Computational Engineering, Finance, and Science · Computer Science 2018-03-02 Wajdi Dhifli , Rabie Saidi , Engelbert Mephu Nguifo

Industrial robots are designed as general-purpose hardware with limited ability to adapt to changing task requirements or environments. Modular robots, on the other hand, offer flexibility and can be easily customized to suit diverse needs.…

Robotics · Computer Science 2024-03-05 Jonathan Külz , Matthias Althoff

Gradual argumentation frameworks represent arguments and their relationships in a weighted graph. Their graphical structure and intuitive semantics makes them a potentially interesting tool for interpretable machine learning. It has been…

Machine Learning · Computer Science 2021-06-28 Jonathan Spieler , Nico Potyka , Steffen Staab

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Several technological applications require the translation of a protein into a nucleic acid that codes for it (``backtranslation''). The degeneracy of the genetic code makes this translation ambiguous; moreover, not every translation is…

Biological Physics · Physics 2007-05-23 Andres Moreira
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