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Cryogenic electron microscopy (cryo-EM) has become an enabling technology in drug discovery and in understanding molecular bases of disease by producing near-atomic resolution (less than 0.4 nm) 3D reconstructions of biological…

Computer Vision and Pattern Recognition · Computer Science 2020-07-23 Hong Xu , David E. Timm , Shireen Y. Elhabian

Optimizing machine learning algorithms that are used to solve the objective function has been of great interest. Several approaches to optimize common algorithms, such as gradient descent and stochastic gradient descent, were explored. One…

Machine Learning · Computer Science 2022-10-06 Hilal AlQuabeh , Farha AlBreiki , Dilshod Azizov

This paper investigates the problem of image classification with limited or no annotations, but abundant unlabeled data. The setting exists in many tasks such as semi-supervised image classification, image clustering, and image retrieval.…

Computer Vision and Pattern Recognition · Computer Science 2016-02-05 Dengxin Dai , Luc Van Gool

Cryo-electron microscopy is a state-of-the-art method for determining high-resolution three-dimensional models of molecules, from their two-dimensional projection images taken by an electron microscope. A crucial step in this method is to…

Image and Video Processing · Electrical Eng. & Systems 2022-12-16 Eitan Rosen , Yoel Shkolnisky

Cryo-EM data processing typically focuses on the structure of the main conformational state under investigation and discards images that belong to other states. This approach can reach atomic resolution, but ignores vast amounts of valuable…

Biomolecules · Quantitative Biology 2024-02-20 Felix Lambrecht , Andreas Kröpelin , Mario Lüttich , Michael Habeck , David Haselbach , Holger Stark

Cryogenic electron microscopy is widely used in structural biology, but its resolution is often limited by the dynamics of the macromolecule. Here, we developed a refinement protocol based on Gaussian mixture models that integrates particle…

Quantitative Methods · Quantitative Biology 2023-08-31 Muyuan Chen , Michael F. Schmid , Wah Chiu

In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…

Machine Learning · Computer Science 2021-01-06 Robin Winter , Frank Noé , Djork-Arné Clevert

Automated segmentation of ultrasound images can assist medical experts with diagnostic and therapeutic procedures. Although using the common modality of ultrasound, one typically needs separate datasets in order to segment, for example,…

Image and Video Processing · Electrical Eng. & Systems 2023-08-15 Dongik Shin , Beomsuk Kim , Seungjun Baek

The graph matching optimization problem is an essential component for many tasks in computer vision, such as bringing two deformable objects in correspondence. Naturally, a wide range of applicable algorithms have been proposed in the last…

Computer Vision and Pattern Recognition · Computer Science 2022-08-01 Stefan Haller , Lorenz Feineis , Lisa Hutschenreiter , Florian Bernard , Carsten Rother , Dagmar Kainmüller , Paul Swoboda , Bogdan Savchynskyy

Instance segmentation in electron microscopy (EM) volumes is tough due to complex shapes and sparse annotations. Self-supervised learning helps but still struggles with intricate visual patterns in EM. To address this, we propose a…

Computer Vision and Pattern Recognition · Computer Science 2023-09-06 Yinda Chen , Wei Huang , Xiaoyu Liu , Shiyu Deng , Qi Chen , Zhiwei Xiong

We propose a method to reconstruct the 3-D molecular structure from micrographs collected at just one sample tilt angle in the random conical tilt scheme in cryo-electron microscopy. Our method uses autocorrelation analysis on the…

Data Analysis, Statistics and Probability · Physics 2021-01-12 Ti-Yen Lan , Nicolas Boumal , Amit Singer

Single-particle cryo-electron microscopy (cryo-EM) has become one of the mainstream structural biology techniques because of its ability to determine high-resolution structures of dynamic bio-molecules. However, cryo-EM data acquisition…

Machine Learning · Computer Science 2022-04-18 Quanfu Fan , Yilai Li , Yuguang Yao , John Cohn , Sijia Liu , Seychelle M. Vos , Michael A. Cianfrocco

In this paper, we address the challenge of obtaining a comprehensive and symmetric representation of point particle groups, such as atoms in a molecule, which is crucial in physics and theoretical chemistry. The problem has become even more…

Chemical Physics · Physics 2024-02-13 Jigyasa Nigam , Sergey N. Pozdnyakov , Kevin K. Huguenin-Dumittan , Michele Ceriotti

Learning robust representations across extremely heterogeneous modalities remains a fundamental challenge in multi-modal vision. As a critical and profound instantiation of this challenge, high-resolution (HR) joint optical and synthetic…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Bowen Peng , Yongxiang Liu , Jie Zhou , Xiaodong Chen , Tianpeng Liu , Xiaogang Yu , Li Liu

Coordination games with explicit spatial or relational structure are of interest to economists, ecologists, sociologists, and others studying emergent global properties in collective behavior. When assemblies of individuals seek to…

Dynamical Systems · Mathematics 2025-06-18 John S. McAlister , Nina H. Fefferman , Tadele A. Mengesha

Cellular Electron Cryo-Tomography (CECT) is a powerful imaging technique for the 3D visualization of cellular structure and organization at submolecular resolution. It enables analyzing the native structures of macromolecular complexes and…

Quantitative Methods · Quantitative Biology 2018-05-16 Chang Liu , Xiangrui Zeng , Ruogu Lin , Xiaodan Liang , Zachary Freyberg , Eric Xing , Min Xu

Latent class model (LCM), which is a finite mixture of different categorical distributions, is one of the most widely used models in statistics and machine learning fields. Because of its non-continuous nature and the flexibility in shape,…

Machine Learning · Statistics 2021-03-23 Hao Chen , Lanshan Han , Alvin Lim

Homology features of spaces which appear in applications, for instance 3D meshes, are among the most important topological properties of these objects. Given a non-trivial cycle in a homology class, we consider the problem of computing a…

Computational Geometry · Computer Science 2022-03-18 Erin Wolf Chambers , Salman Parsa , Hannah Schreiber

While 3D instance segmentation (3DIS) has advanced significantly, most existing methods assume that all object classes are known in advance and uniformly distributed. However, this assumption is unrealistic in dynamic, real-world…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Vishal Thengane , Jean Lahoud , Hisham Cholakkal , Rao Muhammad Anwer , Lu Yin , Xiatian Zhu , Salman Khan

Binary optimization is a central problem in mathematical optimization and its applications are abundant. To solve this problem, we propose a new class of continuous optimization techniques which is based on Mathematical Programming with…

Optimization and Control · Mathematics 2017-12-07 Ganzhao Yuan , Bernard Ghanem