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Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

Proteins play a vital role in biological processes and are indispensable for living organisms. Accurate representation of proteins is crucial, especially in drug development. Recently, there has been a notable increase in interest in…

Biomolecules · Quantitative Biology 2026-05-28 Dan Kalifa , Uriel Singer , Kira Radinsky

Structural information about protein-protein interactions, often missing at the interactome scale, is important for mechanistic understanding of cells and rational discovery of therapeutics. Protein docking provides a computational…

Biomolecules · Quantitative Biology 2020-12-17 Yue Cao , Yang Shen

The process of protein search for specific binding sites on DNA is fundamentally important since it marks the beginning of all major biological processes. We present a theoretical investigation that probes the role of DNA sequence symmetry,…

Subcellular Processes · Quantitative Biology 2016-01-20 Alexey A. Shvets , Anatoly B. Kolomeisky

ChaosNet is a type of artificial neural network framework developed for classification problems and is influenced by the chaotic property of the human brain. Each neuron of the ChaosNet architecture is the one-dimensional chaotic map called…

Machine Learning · Computer Science 2023-07-25 Sneha K H , Adhithya Sudeesh , Pramod P Nair , Prashanth Suravajhala

Mapping between sequence and structure is currently an open problem in structural biology. Despite many experimental and computational efforts it is not clear yet how the structure is encoded in the sequence. Answering this question may…

Biomolecules · Quantitative Biology 2013-10-08 Iddo Friedberg

We introduce ProcGen3D, a new approach for 3D content creation by generating procedural graph abstractions of 3D objects, which can then be decoded into rich, complex 3D assets. Inspired by the prevalent use of procedural generators in…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Xinyi Zhang , Daoyi Gao , Naiqi Li , Angela Dai

Proteins, by virtue of their central role in most biological processes, represent one of the key subjects of the study of molecular evolution. Inherent to the indispensability of proteins for living cells is the fact that a given protein…

Biomolecules · Quantitative Biology 2007-05-23 Eric J. Deeds , Eugene I. Shakhnovich

The generalization ability of Convolutional neural networks (CNNs) for biometrics drops greatly due to the adverse effects of various occlusions. To this end, we propose a novel unified framework integrated the merits of both CNNs and…

Computer Vision and Pattern Recognition · Computer Science 2020-09-15 Min Ren , Yunlong Wang , Zhenan Sun , Tieniu Tan

This paper presents Planar Gaussian Splatting (PGS), a novel neural rendering approach to learn the 3D geometry and parse the 3D planes of a scene, directly from multiple RGB images. The PGS leverages Gaussian primitives to model the scene…

Computer Vision and Pattern Recognition · Computer Science 2024-12-04 Farhad G. Zanjani , Hong Cai , Hanno Ackermann , Leila Mirvakhabova , Fatih Porikli

Recent advancements in algorithms for sequential decision-making under imperfect information have shown remarkable success in large games such as limit- and no-limit poker. These algorithms traditionally formalize the games using the…

Computer Science and Game Theory · Computer Science 2023-12-07 Vojtěch Kovařík , David Milec , Michal Šustr , Dominik Seitz , Viliam Lisý

Protein dynamics play a crucial role in many biological processes and drug interactions. However, measuring, and simulating protein dynamics is challenging and time-consuming. While machine learning holds promise in deciphering the…

Machine Learning · Computer Science 2024-08-23 Sina Sarparast , Aldo Zaimi , Maximilian Ebert , Michael-Rock Goldsmith

3D Gaussian Splatting (3DGS) is a recent approach for scene rendering. Although primarily designed for view synthesis, its potential for scene understanding tasks remains underexplored. In this work, we conduct a comparative evaluation of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Julia Farganus , Krzysztof Żurawicki , Arkadiusz Gaweł , Weronika Jakubowska , Halina Kwaśnicka

Procedural content generation (PCG) has made substantial progress in shaping static 2D/3D geometry, while most methods treat gameplay mechanics as auxiliary and optimize only over space. We argue that this limits controllability and…

Artificial Intelligence · Computer Science 2026-02-24 Kaijie Xu , Clark Verbrugge

Genetic algorithms, computer programs that simulate natural evolution, are increasingly applied across many disciplines. They have been used to solve various optimisation problems from neural network architecture search to strategic games,…

Neural and Evolutionary Computing · Computer Science 2021-09-14 Aymeric Vie , Alissa M. Kleinnijenhuis , Doyne J. Farmer

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying…

Machine Learning · Computer Science 2023-01-31 William Gilpin

It is shown that metric representation of DNA sequences is one-to-one. By using the metric representation method, suppression of nucleotide strings in the DNA sequences is determined. For a DNA sequence, an optimal string length to display…

Biological Physics · Physics 2007-05-23 Zuo-Bing Wu

Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…

Quantitative Methods · Quantitative Biology 2020-11-17 Matthew Ragoza , Tomohide Masuda , David Ryan Koes

Theory of multi-dimensional representation of free energy surface of protein folding is developed by adopting structural order parameters of multiple regions in protein as multiple coordinates. Various scenarios of folding are classified in…

Biomolecules · Quantitative Biology 2009-11-13 Kazuhito Itoh , Masaki Sasai

One of the key advantages of 3D rendering is its ability to simulate intricate scenes accurately. One of the most widely used methods for this purpose is Gaussian Splatting, a novel approach that is known for its rapid training and…

Graphics · Computer Science 2024-05-31 Artur Kasymov , Bartosz Czekaj , Marcin Mazur , Jacek Tabor , Przemysław Spurek
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