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Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

Effective feature selection is essential for enhancing the performance of artificial intelligence models. It involves identifying feature combinations that optimize a given metric, but this is a challenging task due to the problem's…

Quantum Physics · Physics 2023-03-14 Anton S. Albino , Otto M. Pires , Mauro Q. Nooblath , Erick G. S. Nascimento

We present a new method for quantum process tomography. The method enables us to efficiently estimate, with fixed precision, any of the parameters characterizing a quantum channel. It is selective since one can choose to estimate the value…

Quantum Physics · Physics 2008-01-08 Ariel Bendersky , Fernando Pastawski , Juan Pablo Paz

To reduce experimental effort associated with directed protein evolution and to explore the sequence space encoded by mutating multiple positions simultaneously, we incorporate machine learning in the directed evolution workflow.…

Biomolecules · Quantitative Biology 2020-01-07 Zachary Wu , S. B. Jennifer Kan , Russell D. Lewis , Bruce J. Wittmann , Frances H. Arnold

Single cell combinatorial indexing RNA sequencing (sci-RNA-seq) is a powerful method for recovering gene expression data from an exponentially scalable number of individual cells or nuclei. However, sci-RNA-seq is a complex protocol that…

The emerging field of high-throughput compartmentalized in vitro evolution is a promising new approach to protein engineering. In these experiments, libraries of mutant genotypes are randomly distributed and expressed in microscopic…

Populations and Evolution · Quantitative Biology 2019-11-06 Anton S. Zadorin , Yannick Rondelez

The representation, or encoding, utilized in evolutionary algorithms has a substantial effect on their performance. Examination of the suitability of widely used representations for quality diversity optimization (QD) in robotic domains has…

Neural and Evolutionary Computing · Computer Science 2023-04-10 Ludovico Scarton , Alexander Hagg

Machine learning based methods have shown potential for optimizing existing molecules with more desirable properties, a critical step towards accelerating new chemical discovery. Here we propose QMO, a generic query-based molecule…

Machine Learning · Computer Science 2022-04-21 Samuel Hoffman , Vijil Chenthamarakshan , Kahini Wadhawan , Pin-Yu Chen , Payel Das

Quantized Indexing is a fast and space-efficient form of enumerative (combinatorial) coding, the strongest among asymptotically optimal universal entropy coding algorithms. The present advance in enumerative coding is similar to that made…

Information Theory · Computer Science 2016-11-18 Ratko V. Tomic

A new type of experiment that aims to determine the optimal quantities of a sequence of factors is eliciting considerable attention in medical science, bioengineering, and many other disciplines. Such studies require the simultaneous…

Methodology · Statistics 2022-09-14 Qian Xiao , Yaping Wang , Abhyuday Mandal , Xinwei Deng

Designing DNA and protein sequences with improved function has the potential to greatly accelerate synthetic biology. Machine learning models that accurately predict biological fitness from sequence are becoming a powerful tool for…

Machine Learning · Computer Science 2022-03-17 Johannes Linder , Georg Seelig

We describe the decomposition of QSO absorption line ensembles applying an evolutionary forward modelling technique. The modelling is optimized using an evolution strategy (ES) based on a novel concept of completely derandomized…

Astrophysics · Physics 2009-11-10 R. Quast , R. Baade , D. Reimers

De novo molecule generation can suffer from data inefficiency; requiring large amounts of training data or many sampled data points to conduct objective optimization. The latter is a particular disadvantage when combining deep generative…

Computational Engineering, Finance, and Science · Computer Science 2025-10-30 Morgan Thomas , Noel M. O'Boyle , Andreas Bender , Chris De Graaf

With the development of high throughput sequencing technology, it becomes possible to directly analyze mutation distribution in a genome-wide fashion, dissociating mutation rate measurements from the traditional underlying assumptions.…

Genomics · Quantitative Biology 2015-05-14 D. Parkhomchuk , V. S. Amstislavskiy , A. Soldatov , V. Ogryzko

Sequencing by Emergence (SEQE) is a new single-molecule nucleic acid (DNA/RNA) sequencing technology that estimates sequence as an emergent property of the binding and localization of a repertoire of short oligonucleotide probes. SEQE…

Genomics · Quantitative Biology 2021-08-04 Nicholas Boyd , Samuel Woodhouse , Kalim Mir

A long-standing goal of machine-learning-based protein engineering is to accelerate the discovery of novel mutations that improve the function of a known protein. We introduce a sampling framework for evolving proteins in silico that…

Machine Learning · Computer Science 2023-04-10 Patrick Emami , Aidan Perreault , Jeffrey Law , David Biagioni , Peter C. St. John

The reliability of a high-throughput biological experiment relies highly on the settings of the operational factors in its experimental and data-analytic procedures. Understanding how operational factors influence the reproducibility of the…

Methodology · Statistics 2018-07-04 Feipeng Zhang , Frank Shen , Tao Yang , Qunhua Li

In recent years, deep network pruning has attracted significant attention in order to enable the rapid deployment of AI into small devices with computation and memory constraints. Pruning is often achieved by dropping redundant weights,…

Machine Learning · Computer Science 2023-08-24 Enmao Diao , Ganghua Wang , Jiawei Zhan , Yuhong Yang , Jie Ding , Vahid Tarokh

A hybrid evolutionary algorithm with importance sampling method is proposed for multi-dimensional optimization problems in this paper. In order to make use of the information provided in the search process, a set of visited solutions is…

Neural and Evolutionary Computing · Computer Science 2013-08-26 Guanghui Huang , Zhifeng Pan

SELEX (Systematic Evolution of Ligands by Exponential Enrichment) is an experimental procedure that allows extracting, from an initially random pool of DNA, those oligomers with high affinity for a given DNA-binding protein. We address what…

Genomics · Quantitative Biology 2009-11-11 Marko Djordjevic , Anirvan M. Sengupta
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