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We formulate the RNA folding problem as an $N\times N$ matrix field theory. This matrix formalism allows us to give a systematic classification of the terms in the partition function according to their topological character. The theory is…

Statistical Mechanics · Physics 2009-11-07 H. Orland , A. Zee

Deep neural networks (DNNs) frequently contain far more weights, represented at a higher precision, than are required for the specific task which they are trained to perform. Consequently, they can often be compressed using techniques such…

Machine Learning · Computer Science 2020-12-03 Vinu Joseph , Saurav Muralidharan , Animesh Garg , Michael Garland , Ganesh Gopalakrishnan

We propose two algorithms that can find local minima faster than the state-of-the-art algorithms in both finite-sum and general stochastic nonconvex optimization. At the core of the proposed algorithms is $\text{One-epoch-SNVRG}^+$ using…

Machine Learning · Computer Science 2018-06-25 Dongruo Zhou , Pan Xu , Quanquan Gu

In this paper we experiment with using neural network structures to predict a protein's secondary structure ({\alpha} helix positions) from only its primary structure (amino acid sequence). We implement a fully connected neural network…

Machine Learning · Computer Science 2022-08-25 Sidharth Malhotra , Robin Walters

Recently, a framework considering RNA sequences and their RNA secondary structures as pairs, led to some information-theoretic perspectives on how the semantics encoded in RNA sequences can be inferred. In this context, the pairing arises…

Biomolecules · Quantitative Biology 2017-11-30 Fenix W. Huang , Qijun He , Christopher Barrett , Christian M. Reidys

Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…

Soft Condensed Matter · Physics 2019-01-07 Marco Giulini , Raffaello Potestio

Electricity load forecasting plays an important role in the energy planning such as generation and distribution. However, the nonlinearity and dynamic uncertainties in the smart grid environment are the main obstacles in forecasting…

Neural and Evolutionary Computing · Computer Science 2018-11-09 Faisal Mohammad , Ki Boem Lee , Young-Chon Kim

In this paper we report a new promising idea on the design and manufacturing of ply composite structures, tailored to exhibit maximum stiffness under given weight constraints and loading conditions. It is based on the idea behind an…

Computational Physics · Physics 2020-02-26 Igor A. Ostanin

Structural prediction has long been considered critical in RNA research, especially following the success of AlphaFold2 in protein studies, which has drawn significant attention to the field. While recent advances in machine learning and…

Biomolecules · Quantitative Biology 2024-09-26 Jiaxing Yang

Optimizing the mRNA codon has an essential impact on gene expression for a specific target protein. It is an NP-hard problem; thus, exact solutions to such optimization problems become computationally intractable for realistic problem sizes…

Quantum Physics · Physics 2024-05-13 Hongfeng Zhang , Aritra Sarkar , Koen Bertels

In a previous paper [CSIAM Trans. Appl. Math. 2 (2021), 1-55], the authors proposed a theoretical framework for the analysis of RNA velocity, which is a promising concept in scRNA-seq data analysis to reveal the cell state-transition…

Numerical Analysis · Mathematics 2025-02-25 Tiejun Li , Yizhuo Wang , Guoguo Yang , Peijie Zhou

Nature evolves structures like honeycombs at optimized performance with limited material. These efficient structures can be artificially created with the collaboration of structural topology optimization and additive manufacturing. However,…

Computational Engineering, Finance, and Science · Computer Science 2023-03-22 Shengze Zhong , Parinya Punpongsanon , Daisuke Iwai , Kosuke Sato

We present a fully dynamic data structure for the maintenance of lower envelopes of pseudo-lines. The structure has $O(\log^2 n)$ update time and $O(\log n)$ vertical ray shooting query time. To achieve this performance, we devise a new…

Computational Geometry · Computer Science 2019-03-26 Pankaj K. Agarwal , Ravid Cohen , Dan Halperin , Wolfgang Mulzer

We propose GrainGNN, a surrogate model for the evolution of polycrystalline grain structure under rapid solidification conditions in metal additive manufacturing. High fidelity simulations of solidification microstructures are typically…

Computational Engineering, Finance, and Science · Computer Science 2024-02-02 Yigong Qin , Stephen DeWitt , Balasubramaniam Radhakrishnan , George Biros

Predicting protein secondary structure using lattice model is one of the most studied computational problem in bioinformatics. Here secondary structure or three dimensional structure of protein is predicted from its amino acid sequence.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-18 Dipan Lal Shaw , M. Sohel Rahman , A. S. M. Sohidull Islam , Shuvasish Karmaker

Feedforward neural networks with random hidden nodes suffer from a problem with the generation of random weights and biases as these are difficult to set optimally to obtain a good projection space. Typically, random parameters are drawn…

Machine Learning · Computer Science 2019-09-18 Grzegorz Dudek

The microstructure analyses of porous media have considerable research value for the study of macroscopic properties. As the premise of conducting these analyses, the accurate reconstruction of microstructure digital model is also an…

Image and Video Processing · Electrical Eng. & Systems 2023-04-26 Zhenchuan Ma , Xiaohai He , Pengcheng Yan , Fan Zhang , Qizhi Teng

{\em Algorithms with predictions} incorporate machine learning predictions into algorithm design. A plethora of recent works incorporated predictions to improve on worst-case optimal bounds for online problems. In this paper, we initiate…

Data Structures and Algorithms · Computer Science 2023-09-12 Monika Henzinger , Barna Saha , Martin P. Seybold , Christopher Ye

RNA forms elaborate secondary structures through intramolecular base pairing. These structures perform critical biological functions within each cell. Due to the availability of a polynomial algorithm to calculate the partition function…

Biomolecules · Quantitative Biology 2019-03-04 William D. Baez , Kay Jörg Wiese , Ralf Bundschuh

The alignment of biological networks has the potential to teach us as much about biology and disease as has sequence alignment. Sequence alignment can be optimally solved in polynomial time. In contrast, network alignment is $NP$-hard,…

Molecular Networks · Quantitative Biology 2016-07-12 Nil Mamano , Wayne Hayes
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