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As the potential of molecular communication via diffusion (MCvD) systems at nano-scale communication increases, designing molecular schemes robust to the inevitable effects of molecular interference has become of vital importance. There are…

Emerging Technologies · Computer Science 2021-12-02 Ozgur Kara , Gokberk Yaylali , Ali Emre Pusane , Tuna Tugcu

Designing messenger RNA (mRNA) sequences for a fixed target protein requires searching an exponentially large synonymous space while optimizing properties that affect stability and downstream performance. This is challenging because…

Biomolecules · Quantitative Biology 2026-03-09 Feipeng Yue , Ning Dai , Wei Yu Tang , Tianshuo Zhou , David H. Mathews , Liang Huang

Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…

Quantum Physics · Physics 2024-08-26 Chayan Patra , Debaarjun Mukherjee , Sonaldeep Halder , Dibyendu Mondal , Rahul Maitra

Quantum technologies are developing powerful tools to generate and manipulate coherent superpositions of different energy levels. Envisaging a new generation of energy-efficient quantum devices, here we explore how coherence can be…

Quantum Physics · Physics 2017-09-06 Giulio Chiribella , Yuxiang Yang

RNA function crucially depends on its structure. Thermodynamic models currently used for secondary structure prediction rely on computing the partition function of folding ensembles, and can thus estimate minimum free-energy structures and…

Biomolecules · Quantitative Biology 2022-07-26 Nicola Calonaci , Alisha Jones , Francesca Cuturello , Michael Sattler , Giovanni Bussi

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

Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence technologies have demonstrated high effectiveness and…

Chemical Physics · Physics 2024-11-26 Xin Xia , Yajie Zhang , Xiangxiang Zeng , Xingyi Zhang , Chunhou Zheng , Yansen Su

We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining…

The choice of optimizer significantly impacts the training efficiency and computational costs of large language models (LLMs). Recently, the Muon optimizer has demonstrated promising results by orthogonalizing parameter updates, improving…

Machine Learning · Computer Science 2025-10-08 Zichong Li , Liming Liu , Chen Liang , Weizhu Chen , Tuo Zhao

Biological neural networks (BNNs) have been established as a powerful and adaptive substrate that offer the potential for incredibly energy and data efficient information processing with distinct learning mechanisms. Yet a core challenge to…

Quantum heuristics have shown promise in solving various optimization problems, including lattice protein folding. Equally relevant is the inverse problem, protein design, where one seeks sequences that fold to a given target structure. The…

We have analyzed an efficient integration of the multi-qubit echo quantum memory into the quantum computer scheme on the atomic resonant ensembles in quantum electrodynamics cavity. Here, one atomic ensemble with controllable inhomogeneous…

Quantum Physics · Physics 2013-12-06 Sergey A. Moiseev , Sergey N. Andrianov

We now need more than ever to make genome analysis more intelligent. We need to read, analyze, and interpret our genomes not only quickly, but also accurately and efficiently enough to scale the analysis to population level. There currently…

Scientists are attempting to use models of ever increasing complexity, especially in medicine, where gene-based diseases such as cancer require better modeling of cell regulation. Complex models suffer from uncertainty and experiments are…

Molecular Networks · Quantitative Biology 2018-06-01 Mahdi Imani , Roozbeh Dehghannasiri , Ulisses M. Braga-Neto , Edward R. Dougherty

Modern computing workloads commonly involve matrix-matrix multiplication (mmul) as a core computing pattern. Coarse-Grained Reconfigurable Arrays (CGRAs) can flexibly and efficiently support it, since they combine operation-level…

Hardware Architecture · Computer Science 2026-04-29 Yuxuan Wang , María José Belda , Fernando Castro , Katzalin Olcoz , David Atienza , Giovanni Ansaloni

Quantum machine learning integrates the strengths of quantum computing and machine learning, enabling models to learn complex features using fewer parameters than their classical counterparts. Due to the increasing complexity of quantum…

Quantum Physics · Physics 2026-05-04 Emma Andrews , Prabhat Mishra

Mixed discrete-continuous optimization is central to engineering design, where discrete choices interact with continuous fields. These problems are difficult due to high-dimensional, complex search spaces. To tackle them, Quantum Annealing…

Computational Engineering, Finance, and Science · Computer Science 2026-03-19 Fabian Key , Lukas Freinberger , Mayu Muramatsu , Norbert Hosters

The Ribonucleic Acid (RNA) inverse folding problem, designing nucleotide sequences that fold into specific tertiary structures, is a fundamental computational biology problem with important applications in synthetic biology and…

Biomolecules · Quantitative Biology 2025-12-01 Mehyar Mlaweh , Tristan Cazenave , Ines Alaya

Constrained coding plays a key role in optimizing performance and mitigating errors in applications such as storage and communication, where specific constraints on codewords are required. While non-parametric constraints have been…

Information Theory · Computer Science 2025-05-05 Daniella Bar-Lev , Michael Shlizerman

Existing state-of-the-art methods that take a single RNA sequence and predict the corresponding RNA secondary-structure are thermodynamic methods. These predict the most stable RNA structure, but do not consider the process of structure…

Biomolecules · Quantitative Biology 2012-07-26 Jeff R. Proctor , Irmtraud M. Meyer
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