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In high-dimensional genomic data, the curse of dimensionality (d >> n) and limited sampling make feature selection inherently unstable - a critical barrier to biomarker discovery. We introduce StackFeat, an iterative algorithm that…

Other Quantitative Biology · Quantitative Biology 2026-04-28 Akbar Yermekov , D. A. Herrera-Martí

While artificial intelligence has made remarkable strides in revealing the relationship between biological macromolecules' primary sequence and tertiary structure, designing RNA sequences based on specified tertiary structures remains…

Biomolecules · Quantitative Biology 2024-03-08 Cheng Tan , Yijie Zhang , Zhangyang Gao , Bozhen Hu , Siyuan Li , Zicheng Liu , Stan Z. Li

This paper explores the application of spiking neural networks (SNNs), known for their low-power binary spikes, to bearing fault diagnosis, bridging the gap between high-performance AI algorithms and real-world industrial scenarios. In…

Neural and Evolutionary Computing · Computer Science 2025-06-17 Lin Zuo , Yongqi Ding , Mengmeng Jing , Kunshan Yang , Biao Chen , Yunqian Yu

The traditional more-is-better dose selection paradigm, developed based on cytotoxic chemotherapeutics, is often problematic When applied to the development of novel molecularly targeted agents (e.g., kinase inhibitors, monoclonal…

Methodology · Statistics 2022-11-04 Liyun Jiang , Ying Yuan

RNA design is the search for a sequence or set of sequences that will fold into predefined structures, also known as the inverse problem of RNA folding. While numerous RNA design methods have been invented to find sequences capable of…

Biomolecules · Quantitative Biology 2024-08-13 Tianshuo Zhou , Wei Yu Tang , David H. Mathews , Liang Huang

Each and every biological function in living organism happens as a result of protein-protein interactions.The diseases are no exception to this. Identifying one or more proteins for a particular disease and then designing a suitable…

Computational Engineering, Finance, and Science · Computer Science 2015-07-31 Anupam Ghosh , Mainak Talukdar , Uttam Kumar Roy

Generating protein sequences conditioned on protein structures is an impactful technique for protein engineering. When synthesizing engineered proteins, they are commonly translated into DNA and expressed in an organism such as yeast. One…

Machine Learning · Computer Science 2024-09-27 Hannes Stark , Umesh Padia , Julia Balla , Cameron Diao , George Church

DNA is not only the genetic material of life, but also a favorable material for a new computing model. Various research works based on DNA computing have been carried out in recent years. DNA sequence design is the foundation of such…

Emerging Technologies · Computer Science 2023-11-10 Yao Yao , Xun Zhang , Xin Liu , Yuan Liu , Xiaokang Zhang , Qiang Zhang

The task of RNA design given a target structure aims to find a sequence that can fold into that structure. It is a computationally hard problem where some version(s) have been proven to be NP-hard. As a result, heuristic methods such as…

Biomolecules · Quantitative Biology 2024-12-13 Wei Yu Tang , Ning Dai , Tianshuo Zhou , David H. Mathews , Liang Huang

Vaccination against COVID-19 with the recently approved mRNA vaccines BNT162b2 (BioNTech/Pfizer) and mRNA-1273 (Moderna) is currently underway in a large number of countries. However, high incidence rates and rapidly spreading SARS-CoV-2…

DNA has been considered a promising medium for storing digital information. As an essential step in the DNA-based data storage workflow, coding algorithms are responsible to implement functions including bit-to-base transcoding, error…

Emerging Technologies · Computer Science 2023-03-31 Haoling Zhang , Zhaojun Lan , Wenwei Zhang , Xun Xu , Zhi Ping , Yiwei Zhang , Yue Shen

Predicting the future evolutionary trajectory of SARS-CoV-2 remains a critical challenge, particularly due to the pivotal role of spike protein mutations. It is therefore essential to develop evolutionary models capable of continuously…

Quantitative Methods · Quantitative Biology 2025-10-06 Liaofu Luo , Jun Lv

Messenger RNA encodes a sequence of amino acids by using codons. For most amino acids there are multiple synonymous codons that can encode the amino acid. The translation speed can vary from one codon to another, thus there is room for…

Subcellular Processes · Quantitative Biology 2013-10-10 Namiko Mitarai , Steen Pedersen

Across many disciplines, chemical reaction networks (CRNs) are an established population model defined as a system of coupled nonlinear ordinary differential equations. In many applications, for example, in systems biology and epidemiology,…

Systems and Control · Electrical Eng. & Systems 2023-01-23 Kim G. Larsen , Daniele Toller , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Imperfect measurement can degrade a quantum error correction scheme. A solution that restores fault tolerance is to add redundancy to the process of syndrome extraction. In this work, we show how to optimize this process for an arbitrary…

Quantum Physics · Physics 2019-07-12 Vickram N. Premakumar , Hele Sha , Daniel Crow , Eric Bach , Robert Joynt

Optimizing combinatorial structures is core to many real-world problems, such as those encountered in life sciences. For example, one of the crucial steps involved in antibody design is to find an arrangement of amino acids in a protein…

Protein design using structure prediction models such as AlphaFold2 has shown remarkable success, but existing approaches like relaxed sequence optimization (RSO) rely on single-path gradient descent and ignore sequence-space constraints,…

Machine Learning · Computer Science 2025-10-29 Joohwan Ko , Aristofanis Rontogiannis , Yih-En Andrew Ban , Axel Elaldi , Nicholas Franklin

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the major techniques in structural biology with over 11,800 protein structures deposited in the Protein Data Bank. NMR can elucidate structures and dynamics of small and medium size…

Biomolecules · Quantitative Biology 2023-01-11 Piotr Klukowski , Roland Riek , Peter Güntert

We consider the problem of efficiently designing sets (codes) of equal-length DNA strings (words) that satisfy certain combinatorial constraints. This problem has numerous motivations including DNA computing and DNA self-assembly. Previous…

Data Structures and Algorithms · Computer Science 2007-05-23 Ming-Yang Kao , Manan Sanghi , Robert Schweller

Computational RNA design tasks are often posed as inverse problems, where sequences are designed based on adopting a single desired secondary structure without considering 3D conformational diversity. We introduce gRNAde, a geometric RNA…