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Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…

Soft Condensed Matter · Physics 2026-02-19 Maximilian C. Hübl , Thomas E. Videbæk , Daichi Hayakawa , W. Benjamin Rogers , Carl P. Goodrich

Nonreciprocal structures play an important role in optical physics and applications. Conventional approaches for designing nonreciprocal optical structures rely heavily on extensive numerical simulation and parameter tuning, leading to high…

Optics · Physics 2026-03-12 Weiran Zhang , Hao Pan , Shubo Wang

A new statistical method of alignment of two heteropolymers which can form hierarchical cloverleaf-like secondary structures is proposed. This offers a new constructive algorithm for quantitative determination of binding free energy of two…

Quantitative Methods · Quantitative Biology 2010-11-12 S. K. Nechaev , M. V. Tamm , O. V. Valba

There have been increasing interests on the Volterra series identification with the kernel-based regularization method. The major difficulties are on the kernel design and efficiency of the corresponding implementation. In this paper, we…

Systems and Control · Electrical Eng. & Systems 2025-05-28 Yu Xu , Biqiang Mu , Tianshi Chen

Inverse design is a common yet challenging engineering problem, particularly for nonlinear functional responses such as mechanical behavior or spectral analysis. Deep generative models are motivated by intractability, non-existence or…

Computational Engineering, Finance, and Science · Computer Science 2025-10-09 Haoxuan Dylan Mu , Mingjian Tang , Wei Gao , Wei "Wayne" Chen

Despite its importance, choosing the structural form of the kernel in nonparametric regression remains a black art. We define a space of kernel structures which are built compositionally by adding and multiplying a small number of base…

Machine Learning · Statistics 2013-05-15 David Duvenaud , James Robert Lloyd , Roger Grosse , Joshua B. Tenenbaum , Zoubin Ghahramani

This research is to search for alternatives to the resolution of complex medical diagnosis where human knowledge should be apprehended in a general fashion. Successful application examples show that human diagnostic capabilities are…

Neural and Evolutionary Computing · Computer Science 2010-09-28 S. M. Kamruzzaman , Ahmed Ryadh Hasan , Abu Bakar Siddiquee , Md. Ehsanul Hoque Mazumder

This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the…

Quantitative Methods · Quantitative Biology 2017-01-04 Andrii Riazanov , Mikhail Karasikov , Sergei Grudinin

Among an infinite number of possible folds, nature has chosen only about 1000 distinct folds to form protein structures. Theoretical studies suggest that selected folds are intrinsically more designable than others; these selected folds are…

Soft Condensed Matter · Physics 2009-11-11 Cristiano L. Dias , Martin Grant

Nanotechnology and synthetic biology currently constitute one of the most innovative, interdisciplinary fields of research, poised to radically transform society in the 21st century. This paper concerns the synthetic design of ribonucleic…

Biomolecules · Quantitative Biology 2015-05-29 Ivan Dotu , Juan Antonio Garcia-Martin , Betty L. Slinger , Vinodh Mechery , Michelle M. Meyer , Peter Clote

A fundamental challenge in the design of photonic devices, and electromagnetic structures more generally, is the optimization of their overall architecture to achieve a desired response. To this end, topology or shape optimizers based on…

Evolutionary neural architecture search (ENAS) employs evolutionary algorithms to find high-performing neural architectures automatically, and has achieved great success. However, compared to the empirical success, its rigorous theoretical…

Neural and Evolutionary Computing · Computer Science 2024-04-09 Zeqiong Lv , Chao Qian , Yanan Sun

Messenger RNA (mRNA) vaccines are being used for COVID-19, but still suffer from the critical issue of mRNA instability and degradation, which is a major obstacle in the storage, distribution, and efficacy of the vaccine. Previous work…

RNA plays a pivotal role in diverse biological processes, ranging from gene regulation to catalysis. Recent advances in RNA design, such as RfamGen, Ribodiffusion and RDesign, have demonstrated promising results, with successful designs of…

Biomolecules · Quantitative Biology 2025-03-11 Letian Gao , Zhi John Lu

In this work, we investigate a challenging problem, which has been considered to be an important criterion in designing codewords for DNA computing purposes, namely secondary structure avoidance in single-stranded DNA molecules. In short,…

Information Theory · Computer Science 2023-02-28 Tuan Thanh Nguyen , Kui Cai , Han Mao Kiah , Duc Tu Dao , Kees A. Schouhamer Immink

Neural networks are prone to misclassify slightly modified input images. Recently, many defences have been proposed, but none have improved the robustness of neural networks consistently. Here, we propose to use adversarial attacks as a…

Neural and Evolutionary Computing · Computer Science 2021-06-11 Shashank Kotyan , Danilo Vasconcellos Vargas

A residual design ${\cal{D}}_B$ with respect to a block $B$ of a given design $\cal{D}$ is defined to be linearly embeddable over $GF(p)$ if the $p$-ranks of the incidence matrices of ${\cal{D}}_B$ and $\cal{D}$ differ by one. A sufficient…

Combinatorics · Mathematics 2016-07-25 Vladimir D. Tonchev

Evolution in time-varying environments naturally leads to adaptable biological systems that can easily switch functionalities. Advances in the synthesis of environmentally-responsive materials therefore open up the possibility of creating a…

Non-coding RNA are functional molecules that are not translated into proteins. Their function comes as important regulators of biological function. Because they are not translated, they need not be as stable as other types of RNA. The TKF91…

Other Quantitative Biology · Quantitative Biology 2024-05-27 Brandon Legried

Designing new molecules with a set of predefined properties is a core problem in modern drug discovery and development. There is a growing need for de-novo design methods that would address this problem. We present MolecularRNN, the graph…

Machine Learning · Computer Science 2019-06-03 Mariya Popova , Mykhailo Shvets , Junier Oliva , Olexandr Isayev