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Proteins are linear chain molecules that play a central role in life and health. Protein native state folds are modular assemblies of space-filling building blocks of {\alpha}-helices, \{beta}-sheets and tight turns. Here we deduce the…

Biological Physics · Physics 2025-10-09 Jayanth R. Banavar , Achille Giacometti , Trinh X. Hoang , Amos Maritan , Tatjana Škrbić

We investigate the recovery of structures from large-area, low dose exposures that distribute the dose over many identical copies of an object. The reconstruction is done via a maximum likelihood approach that does neither require to…

Materials Science · Physics 2018-03-28 C. Kramberger , J. C. Meyer

In this paper we describe an approach to construct large extendable collections of vectors in predefined spaces of given dimensions. These collections are useful for neural network latent space configuration and training. For classification…

Algebraic Geometry · Mathematics 2025-12-05 Igor V. Netay

Monocular 3D reconstruction of articulated object categories is challenging due to the lack of training data and the inherent ill-posedness of the problem. In this work we use video self-supervision, forcing the consistency of consecutive…

Computer Vision and Pattern Recognition · Computer Science 2021-04-28 Filippos Kokkinos , Iasonas Kokkinos

We propose a new approach for constructing a 3D representation from a 2D wireframe drawing. A drawing is simply a parallel projection of a 3D object onto a 2D surface; humans are able to recreate mental 3D models from 2D representations…

Computer Vision and Pattern Recognition · Computer Science 2010-07-16 Kyle Johnson , Clayton Chang , Hod Lipson

We report canonical and grand-canonical lattice Monte Carlo simulations of the self-assembly of addressable structures comprising hundreds of distinct component types. The nucleation behaviour, in the form of free-energy barriers to…

Soft Condensed Matter · Physics 2016-04-18 Aleks Reinhardt , Chon Pan Ho , Daan Frenkel

It is known that the majority of the human genome consists of repeated sequences. Furthermore, it is believed that a significant part of the rest of the genome also originated from repeated sequences and has mutated to its current form. In…

Information Theory · Computer Science 2014-01-21 Farzad Farnoud , Moshe Schwartz , Jehoshua Bruck

In a similar way in which the folding of single--domain proteins provide an important test in the study of self--organization, the folding of homodimers constitute a basic challenge in the quest for the mechanisms which are at the basis of…

Soft Condensed Matter · Physics 2007-05-23 G. Tiana , R. A. Broglia

The mechanism and driving forces of chromosome segregation in the bacterial cell cycle of E. coli is one of the least understood events in its life cycle. Using principles of entropic repulsion between polymer loops confined in a cylinder,…

Soft Condensed Matter · Physics 2021-12-24 Debarshi Mitra , Shreerang Pande , Apratim Chatterji

Proteins populate a manifold in the high-dimensional sequence space whose geometrical structure guides their natural evolution. Leveraging recently-developed structure prediction tools based on transformer models, we first examine the…

Biomolecules · Quantitative Biology 2023-11-13 A. Zambon , R. Zecchina , G. Tiana

A microscopic theory of the free energy barriers and folding routes for minimally frustrated proteins is presented, greatly expanding on the presentation of the variational approach outlined previously [J. J. Portman, S. Takada, P. G.…

Soft Condensed Matter · Physics 2009-10-31 John J. Portman , Shoji Takada , Peter G. Wolynes

We study the two-dimensional hierarchical rectangle packing problem, motivated by applications in analog integrated circuit layout, facility layout, and logistics. Unlike classical strip or bin packing, the dimensions of the container are…

Computational Geometry · Computer Science 2025-12-24 Josef Grus , Zdeněk Hanzálek , Christian Artigues , Cyrille Briand , Emmanuel Hebrard

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Biomolecules · Quantitative Biology 2020-10-14 Vitali Nesterov , Mario Wieser , Volker Roth

While extensive guidance exists for ensuring the reproducibility of one's own study, there is little discussion regarding the reproduction and replication of external studies within one's own research. To initiate this discussion, drawing…

Machine Learning · Computer Science 2024-01-10 Milton S. Gomez , Tom Beucler

Highly accurate biomolecular structure prediction is a key component of developing biomolecular foundation models, and one of the most critical aspects of building foundation models is identifying the recipes for scaling the model. In this…

Biomolecules · Quantitative Biology 2026-01-02 Yi Zhou , Chan Lu , Yiming Ma , Wei Qu , Fei Ye , Kexin Zhang , Lan Wang , Minrui Gui , Quanquan Gu

In spite of decades of research, much remains to be discovered about folding: the detailed structure of the initial (unfolded) state, vestigial folding instructions remaining only in the unfolded state, the interaction of the molecule with…

Biological Physics · Physics 2018-11-26 Walter A. Simmons

Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…

Biological Physics · Physics 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

We introduce POP3D, a novel framework that creates a full $360^\circ$-view 3D model from a single image. POP3D resolves two prominent issues that limit the single-view reconstruction. Firstly, POP3D offers substantial generalizability to…

Computer Vision and Pattern Recognition · Computer Science 2023-09-20 Nuri Ryu , Minsu Gong , Geonung Kim , Joo-Haeng Lee , Sunghyun Cho

Modern 3D printing technologies and the upcoming mass-customization paradigm call for efficient methods to produce and distribute arbitrarily-shaped 3D objects. This paper introduces an original algorithm to split a 3D model in parts that…

Graphics · Computer Science 2021-04-13 Marco Attene

We show that conformal blocks simplify greatly when there is a large difference between two of the scaling dimensions for external operators. In particular the spacetime dimension only appears in an overall constant which we determine via…

High Energy Physics - Theory · Physics 2014-09-09 Connor Behan
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