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Foundation models in computer vision have demonstrated exceptional performance in zero-shot and few-shot tasks by extracting multi-purpose features from large-scale datasets through self-supervised pre-training methods. However, these…

Computer Vision and Pattern Recognition · Computer Science 2024-10-29 Yingjun Shen , Haizhao Dai , Qihe Chen , Yan Zeng , Jiakai Zhang , Yuan Pei , Jingyi Yu

Cellular processes are governed by macromolecular complexes inside the cell. Study of the native structures of macromolecular complexes has been extremely difficult due to lack of data. With recent breakthroughs in Cellular electron cryo…

Quantitative Methods · Quantitative Biology 2018-06-12 Chengqian Che , Ruogu Lin , Xiangrui Zeng , Karim Elmaaroufi , John Galeotti , Min Xu

In recent years the scientific community has devoted much effort in the development of deep learning models for the generation of new molecules with desirable properties (i.e. drugs). This has produced many proposals in literature. However,…

Machine Learning · Computer Science 2020-08-24 Davide Rigoni , Nicolò Navarin , Alessandro Sperduti

Modern-day display systems demand high-quality rendering. However, rendering at higher resolution requires a large number of data samples and is computationally expensive. Recent advances in deep learning-based image and video…

Graphics · Computer Science 2022-10-18 Sudarshan Devkota , Sumanta Pattanaik

In this paper we study the formal algebraic structure underlying the intrinsic classification algorithm, recently introduced by Hadani, Shkolnisky, Singer and Zhao, for classifying noisy projection images of similar viewing directions in…

Representation Theory · Mathematics 2011-04-07 Ronny Hadani , Amit Singer

Cryo-electron microscopy can now routinely deliver atomic resolution structures for a variety of biological systems. The relevance and value of these structures is directly related to their ability to help rationalize experimental…

We revisit the topic of common lines between projection images in single particle cryo-electron microscopy (cryo-EM). We derive a novel low-rank constraint on a certain $2n \times n$ matrix storing properly-scaled basis vectors for the…

Optimization and Control · Mathematics 2024-06-10 Tommi Muller , Adriana L. Duncan , Eric J. Verbeke , Joe Kileel

The synthesis of product design concepts stands at the crux of early-phase development processes for technical products, traditionally posing an intricate interdisciplinary challenge. The application of deep learning methods, particularly…

Machine Learning · Computer Science 2025-05-22 Phillip Mueller , Lars Mikelsons

Deep generative models have emerged as a powerful tool for learning useful molecular representations and designing novel molecules with desired properties, with applications in drug discovery and material design. However, most existing deep…

Cryo-electron tomography (cryo-ET) provides direct 3D visualization of macromolecules inside the cell, enabling analysis of their in situ morphology. This morphology can be regarded as an SE(3)-invariant, denoised volumetric representation…

Computer Vision and Pattern Recognition · Computer Science 2026-01-06 Mostofa Rafid Uddin , Mahek Vora , Qifeng Wu , Muyuan Chen , Min Xu

Cryo-electron tomography (cryo-ET) provides a unique window into molecular organization in cellular environments (in situ). However, the interpretation of molecular structural information is complicated by several intrinsic properties of…

Biomolecules · Quantitative Biology 2026-02-17 Slavica Jonic

Microscopy image enhancement plays a pivotal role in understanding the details of biological cells and materials at microscopic scales. In recent years, there has been a significant rise in the advancement of microscopy image enhancement,…

Image and Video Processing · Electrical Eng. & Systems 2025-09-29 Debasish Dutta , Neeharika Sonowal , Risheraj Barauh , Deepjyoti Chetia , Sanjib Kr Kalita

Proteins are the fundamental macromolecules that play diverse and crucial roles in all living matter and have tremendous implications in healthcare, manufacturing, and biotechnology. Their functions are largely determined by the sequences…

Biomolecules · Quantitative Biology 2024-09-17 Boqiao Lai

Designing new chemical compounds with desired pharmaceutical properties is a challenging task and takes years of development and testing. Still, a majority of new drugs fail to prove efficient. Recent success of deep generative modeling…

Machine Learning · Computer Science 2021-09-15 Karina Zadorozhny , Lada Nuzhna

Cellular Electron Cryotomography (CryoET) offers the ability to look inside cells and observe macromolecules frozen in action. A primary challenge for this technique is identifying and extracting the molecular components within the crowded…

Quantitative Methods · Quantitative Biology 2021-08-04 Muyuan Chen , Wei Dai , Ying Sun , Darius Jonasch , Cynthia Y He , Michael F. Schmid , Wah Chiu , Steven J Ludtke

Motivation: Structural heterogeneity in single-particle cryo-electron microscopy (cryo-EM) data represents a major challenge for high-resolution structure determination. Unsupervised classification may serve as the first step in the…

Data Analysis, Statistics and Probability · Physics 2017-11-01 Jiayi Wu , Yong-Bei Ma , Charles Congdon , Bevin Brett , Shuobing Chen , Qi Ouyang , Youdong Mao

One of the difficulties in 3D reconstruction of molecules from images in single particle Cryo-Electron Microscopy (Cryo-EM), in addition to high levels of noise and unknown image orientations, is heterogeneity in samples: in many cases, the…

Computer Vision and Pattern Recognition · Computer Science 2016-07-13 Roy R. Lederman , Amit Singer

There is a clear need for developments in characterisation techniques that provide detailed information about structure-function relationships in biology. Using electron microscopy to achieve high resolution while maintaining a broad field…

Quantitative Methods · Quantitative Biology 2023-09-12 Chen Huang , Judy S. Kim , Angus I. Kirkland

Materials discovery is decisive for tackling urgent challenges related to energy, the environment, health care and many others. In chemistry, conventional methodologies for innovation usually rely on expensive and incremental strategies to…

Machine Learning · Computer Science 2020-06-09 Daniel Schwalbe-Koda , Rafael Gómez-Bombarelli

We introduce a framework for recovering an image from its rotationally and translationally invariant features based on autocorrelation analysis. This work is an instance of the multi-target detection statistical model, which is mainly used…

Image and Video Processing · Electrical Eng. & Systems 2022-03-03 Nicholas F. Marshall , Ti-Yen Lan , Tamir Bendory , Amit Singer