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Deep generative modeling to stochastically design small molecules is an emerging technology for accelerating drug discovery and development. However, one major issue in molecular generative models is their lower frequency of drug-like…

Quantum computers have the potential of solving problems more efficiently than classical computers. While first commercial prototypes have become available, the performance of such machines in practical application is still subject to…

Emerging Technologies · Computer Science 2020-05-13 Tom Krüger , Wolfgang Mauerer

Quantum simulators and processors are rapidly improving nowadays, but they are still not able to solve complex and multidimensional tasks of practical value. However, certain numerical algorithms inspired by the physics of real quantum…

Quantum Physics · Physics 2019-12-19 Alexander E. Ulanov , Egor S. Tiunov , A. I. Lvovsky

High throughput sequencing of RNA (RNA-Seq) can provide us with millions of short fragments of RNA transcripts from a sample. How to better recover the original RNA transcripts from those fragments (RNA-Seq assembly) is still a difficult…

Genomics · Quantitative Biology 2019-02-15 Shunfu Mao , Yihan Jiang , Edwin Basil Mathew , Sreeram Kannan

Node embedding is a key technique for representing graph nodes as vectors while preserving structural and relational properties, which enables machine learning tasks like feature extraction, clustering, and classification. While classical…

Quantum Physics · Physics 2025-03-11 Hristo N. Djidjev

Adiabatic quantum computing has evolved in recent years from a theoretical field into an immensely practical area, a change partially sparked by D-Wave System's quantum annealing hardware. These multimillion-dollar quantum annealers offer…

Quantum Physics · Physics 2017-07-28 Timothy D. Goodrich , Travis S. Humble , Blair D. Sullivan

Haplotype-resolved de novo assembly is the ultimate solution to the study of sequence variations in a genome. However, existing algorithms either collapse heterozygous alleles into one consensus copy or fail to cleanly separate the…

Genomics · Quantitative Biology 2021-02-03 Haoyu Cheng , Gregory T Concepcion , Xiaowen Feng , Haowen Zhang , Heng Li

For decades, researchers have been applying computer simulation to address problems in biology. However, many of these "grand challenges" in computational biology, such as simulating how proteins fold, remained unsolved due to their great…

Biological Physics · Physics 2009-01-08 Stefan M. Larson , Christopher D. Snow , Michael Shirts , Vijay S. Pande

Conformation generation, also known as molecular unfolding (MU), is a crucial step in structure-based drug design, remaining a challenging combinatorial optimization problem. Quantum annealing (QA) has shown great potential for solving…

Quantum annealing is a general strategy for solving difficult optimization problems with the aid of quantum adiabatic evolution. Both analytical and numerical evidence suggests that under idealized, closed system conditions, quantum…

Quantum annealers like those from D-Wave Systems implement adiabatic quantum computing to solve optimization problems, but their analog nature and limited control functionalities present challenges to correcting or mitigating errors. As…

Quantum Physics · Physics 2024-04-11 Hristo N. Djidjev

Metagenomic studies have primarily relied on de novo assembly for reconstructing genes and genomes from microbial mixtures. While reference-guided approaches have been employed in the assembly of single organisms, they have not been used in…

To increase efficiency in automotive manufacturing, newly produced vehicles can move autonomously from the production line to the distribution area. This requires an optimal placement of sensors to ensure full coverage while minimizing the…

Emerging Technologies · Computer Science 2025-07-23 Nico Kraus , Marvin Erdmann , Alexander Kuzmany , Daniel Porawski , Jonas Stein

Recent advances in quantum technology have led to the development and manufacturing of experimental programmable quantum annealers that promise to solve certain combinatorial optimization problems of practical relevance faster than their…

Quantum Physics · Physics 2016-05-31 Itay Hen , Federico M. Spedalieri

A novel simulation strategy is proposed to search for semiconductor quantum devices which are optimized with respect to required performances. Based on evolutionary programming, a tecnique implementing the paradigm of genetic algorithms to…

Materials Science · Physics 2009-10-31 Guido Goldoni , Fausto Rossi

Feature selection is a machine learning technique for identifying relevant variables in classification and regression models. In single-cell RNA sequencing (scRNA-seq) data analysis, feature selection is used to identify relevant genes that…

Genomics · Quantitative Biology 2025-12-02 Selim Romero , Shreyan Gupta , Victoria Gatlin , Robert S. Chapkin , James J. Cai

Quantum annealing is a computational paradigm in which optimisation problems are mapped onto the energy landscape of an interacting quantum system and explored through its dynamical evolution. By continuously transforming a simple initial…

Quantum Physics · Physics 2026-05-11 Steven Abel , Andrei Constantin , Luca A. Nutricati

We solve robot trajectory planning problems at industry-relevant scales. Our end-to-end solution integrates highly versatile random-key algorithms with model stacking and ensemble techniques, as well as path relinking for solution…

Currently, third-generation sequencing techniques, which allow to obtain much longer DNA reads compared to the next-generation sequencing technologies, are becoming more and more popular. There are many possibilities to combine data from…

Genomics · Quantitative Biology 2019-05-23 Wiktor Kuśmirek , Wiktor Franus , Robert Nowak

We employ a machine learning-enabled approach to quantum state engineering based on evolutionary algorithms. In particular, we focus on superconducting platforms and consider a network of qubits -- encoded in the states of artificial atoms…

Quantum Physics · Physics 2023-01-26 Jonathon Brown , Mauro Paternostro , Alessandro Ferraro
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