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Heterologous gene expression draws resources from host cells. These resources include vital components to sustain growth and replication, and the resulting cellular burden is a widely recognised bottleneck in the design of robust circuits.…

Molecular Networks · Quantitative Biology 2020-04-06 Evangelos-Marios Nikolados , Andrea Y. Weiße , Diego A. Oyarzún

Automated design of efficient transformer models has recently attracted significant attention from industry and academia. However, most works only focus on certain metrics while searching for the best-performing transformer architecture.…

Machine Learning · Computer Science 2023-03-27 Shikhar Tuli , Niraj K. Jha

The performance, reliability, cost, size and energy usage of computing systems can be improved by one or more orders of magnitude by the systematic use of modern control and optimization methods. Computing systems rely on the use of…

Systems and Control · Computer Science 2017-10-13 Eric C. Kerrigan

A variety of biomolecular systems rely on exploratory dynamics to reach target locations or states within a cell. Without a mechanism to remotely sense and move directly towards a target, the system must sample over many paths, often…

Biological Physics · Physics 2025-09-01 Elena F Koslover , Milo M Lin , Rob Phillips

Proteins are the "work horses" in biological systems. In almost all functions specific proteins are involved. They control molecular transport processes, stabilize the cell structure, enzymatically catalyze chemical reactions; others act as…

Statistical Mechanics · Physics 2009-02-18 Michael Bachmann , Wolfhard Janke

We address a wide spectrum of quantum control strategies, including various open-loop protocols and advanced adaptive methods. These methodologies apply to few-qubit scenarios and naturally scale to larger N-qubit systems. We benchmark them…

Quantum Physics · Physics 2025-09-22 Atta ur Rahman , M. Y. Abd-Rabbou , Cong-feng Qiao

The circadian rhythm plays a crucial role in regulating biological processes, and its disruption is linked to various health issues. Identifying small molecules that influence the circadian period is essential for developing targeted…

Neural and Evolutionary Computing · Computer Science 2026-01-12 Antonio Arauzo-Azofra , Jose Molina-Baena , Maria Luque-Rodriguez

In topology optimization of compliant mechanisms, the specific placement of boundary conditions strongly affects the resulting material distribution and performance of the design. At the same time, the most effective locations of the loads…

Computational Engineering, Finance, and Science · Computer Science 2025-02-05 Lee R. Alacoque , Anurag Bhattacharyya , Kai A. James

The recent improvements in cryo-electron microscopy (cryo-EM) in the past few years are now allowing to observe molecular complexes at atomic resolution. As a consequence, numerous structures derived from cryo-EM are now available in the…

Biomolecules · Quantitative Biology 2020-05-04 Mikael Trellet , Gydo van Zundert , Alexandre M. J. J. Bonvin

SE(3)-based generative models have shown great promise in protein geometry modeling and effective structure design. However, the field currently lacks a modularized benchmark to enable comprehensive investigation and fair comparison of…

Machine Learning · Computer Science 2025-07-29 Lang Yu , Zhangyang Gao , Cheng Tan , Qin Chen , Jie Zhou , Liang He

As superconducting processors scale, understanding how physical layout shapes qubit interactions is essential for architectural reliability. Existing methods offer limited insight into how electromagnetic design choices translate into…

Emerging Technologies · Computer Science 2026-03-27 Navnil Choudhury , Yizhuo Tan , Jiaqi Yu , Jakub Szefer , Kanad Basu

The formation of protein patterns inside cells is generically described by reaction-diffusion models. The study of such systems goes back to Turing, who showed how patterns can emerge from a homogenous steady state when two reactive…

Biological Physics · Physics 2020-02-26 Manon C. Wigbers , Fridtjof Brauns , Tobias Hermann , Erwin Frey

Generating novel and functional protein sequences is critical to a wide range of applications in biology. Recent advancements in conditional diffusion models have shown impressive empirical performance in protein generation tasks. However,…

Machine Learning · Computer Science 2025-12-04 Zinan Ling , Yi Shi , Brett McKinney , Da Yan , Yang Zhou , Bo Hui

Modern multi-core systems have a large number of design parameters, most of which are discrete-valued, and this number is likely to keep increasing as chip complexity rises. Further, the accurate evaluation of a potential design choice is…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-07-15 Neha V. Karanjkar , Madhav P. Desai

Computational protein structure determination involves optimization in a problem space much too large to exhaustively search. Existing approaches include optimization algorithms such as gradient descent and simulated annealing, but these…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-08-04 Michael Bryson , Xijiang Miao , Homayoun Valafar

Enzymes are nano-scale machines that have evolved to drive chemical reactions out of equilibrium in the right place at the right time. Given the complexity and specificity of enzymatic function, bottom-up design of enzymes presents a…

Soft Condensed Matter · Physics 2025-05-28 Michalis Chatzittofi , Jaime Agudo-Canalejo , Ramin Golestanian

The theory of elastic rods can be used to describe certain geometric and topological properties of the DNA molecules. A similar effective field theory approach was previously suggested to describe the conformations and dynamics of proteins.…

Biomolecules · Quantitative Biology 2019-09-04 Dmitry Melnikov , Alyson B. F. Neves

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen

The concept of control is crucial for effectively understanding and applying biological network models. Key structural features relate to control functions through gene regulation, signaling, or metabolic mechanisms, and computational…

Molecular Networks · Quantitative Biology 2024-11-05 David Murrugarra , Alan Veliz-Cuba , Elena Dimitrova , Claus Kadelka , Matthew Wheeler , Reinhard Laubenbacher

This work focuses on the optimization of the training trajectory orientation using a robot as an advanced exercise machine (AEM) and muscle activations as biofeedback. Muscle recruitment patterns depend on trajectory parameters of the AEMs…

Robotics · Computer Science 2021-04-26 Humberto De las Casas , Nicholas Chambers , Hanz Richter , Kenneth Sparks
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