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Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational diversity of dynamic biomolecular complexes, often requiring…

Machine Learning · Computer Science 2025-12-02 Rishwanth Raghu , Axel Levy , Gordon Wetzstein , Ellen D. Zhong

Single-particle electron cryomicroscopy is an essential tool for high-resolution 3D reconstruction of proteins and other biological macromolecules. An important challenge in cryo-EM is the reconstruction of non-rigid molecules with parts…

Image and Video Processing · Electrical Eng. & Systems 2021-05-31 Amit Moscovich , Amit Halevi , Joakim Andén , Amit Singer

Computed tomography (CT) can capture volumes large enough to measure a statistically meaningful number of micron-sized particles with a sufficiently good resolution to allow for the analysis of individual particles. However, the development…

Principal component analysis (PCA) is a classical and ubiquitous method for reducing data dimensionality, but it is suboptimal for heterogeneous data that are increasingly common in modern applications. PCA treats all samples uniformly so…

Statistics Theory · Mathematics 2021-12-02 David Hong , Kyle Gilman , Laura Balzano , Jeffrey A. Fessler

In the effort to aid cytologic diagnostics by establishing automatic single cell screening using high throughput digital holographic microscopy for clinical studies thousands of images and millions of cells are captured. The bottleneck lies…

Image and Video Processing · Electrical Eng. & Systems 2024-10-28 Julia Sistermanns , Ellen Emken , Gregor Weirich , Oliver Hayden , Wolfgang Utschick

We address the problem of un-supervised soft-clustering called micro-clustering. The aim of the problem is to enumerate all groups composed of records strongly related to each other, while standard clustering methods separate records at…

Data Structures and Algorithms · Computer Science 2016-06-07 Takeaki Uno , Hiroki Maegawa , Takanobu Nakahara , Yukinobu Hamuro , Ryo Yoshinaka , Makoto Tatsuta

Image segmentation, one of the most critical vision tasks, has been studied for many years. Most of the early algorithms are unsupervised methods, which use hand-crafted features to divide the image into many regions. Recently, owing to the…

Computer Vision and Pattern Recognition · Computer Science 2021-03-11 Qinghong Lin , Weichan Zhong , Jianglin Lu

We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…

Computational Physics · Physics 2020-07-15 Benedikt Hartl , Shubham Sharma , Oliver Brügner , Stijn F. L. Mertens , Michael Walter , Gerhard Kahl

This paper proposes a probabilistic approach for the detection and the tracking of particles in fluorescent time-lapse imaging. In the presence of a very noised and poor-quality data, particles and trajectories can be characterized by an a…

Computer Vision and Pattern Recognition · Computer Science 2017-04-04 Mariella Dimiccoli , Jean-Pascal Jacob , Lionel Moisan

Particle filtering is used to compute good nonlinear estimates of complex systems. It samples trajectories from a chosen distribution and computes the estimate as a weighted average. Easy-to-sample distributions often lead to degenerate…

Machine Learning · Computer Science 2021-10-07 Fernando Gama , Nicolas Zilberstein , Richard G. Baraniuk , Santiago Segarra

This work presents an unsupervised and semi-automatic image segmentation approach where we formulate the segmentation as a inference problem based on unary and pairwise assignment probabilities computed using low-level image cues. The…

Computer Vision and Pattern Recognition · Computer Science 2023-05-16 Ayelet Heimowitz , Yosi Keller

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

Data processing constitutes a critical component of high-contrast exoplanet imaging. Its role is almost as important as the choice of a coronagraph or a wavefront control system, and it is intertwined with the chosen observing strategy.…

Instrumentation and Methods for Astrophysics · Physics 2016-04-20 C. A. Gomez Gonzalez , O. Absil , P. -A. Absil , M. Van Droogenbroeck , D. Mawet , J. Surdej

We study a class of orbit recovery problems in which we observe independent copies of an unknown element of $\mathbb{R}^p$, each linearly acted upon by a random element of some group (such as $\mathbb{Z}/p$ or $\mathrm{SO}(3)$) and then…

Statistics Theory · Mathematics 2023-06-26 Afonso S. Bandeira , Ben Blum-Smith , Joe Kileel , Amelia Perry , Jonathan Niles-Weed , Alexander S. Wein

Sparse principal component analysis (PCA) is a well-established dimensionality reduction technique that is often used for unsupervised feature selection (UFS). However, determining the regularization parameters is rather challenging, and…

Machine Learning · Computer Science 2025-04-07 Long Chen , Xianchao Xiu

Cryogenic electron microscopy (cryo-EM) has transformed structural biology by allowing to reconstruct 3D biomolecular structures up to near-atomic resolution. However, the 3D reconstruction process remains challenging, as the 3D structures…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Bongjin Koo , Julien Martel , Ariana Peck , Axel Levy , Frédéric Poitevin , Nina Miolane

Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different…

Materials Science · Physics 2024-05-15 Armand Barbot , Riccardo Gatti

Principal Component Analysis (PCA) is a method for estimating a subspace given noisy samples. It is useful in a variety of problems ranging from dimensionality reduction to anomaly detection and the visualization of high dimensional data.…

Statistics Theory · Mathematics 2019-06-14 David Hong , Laura Balzano , Jeffrey A. Fessler

We present an imaging algorithm for polarimetric interferometric data from radio telescopes. It is based on Bayesian statistics and thereby able to provide uncertainties and to incorporate prior information such as positivity of the total…

Instrumentation and Methods for Astrophysics · Physics 2025-04-02 Philipp Arras , Jakob Roth , Martin Reinecke , Richard A. Perley , Andrei Frolov , Rüdiger Westermann , Torsten A. Enßlin

In this paper, we propose a simple but effective semantic part-based weighting aggregation (PWA) for image retrieval. The proposed PWA utilizes the discriminative filters of deep convolutional layers as part detectors. Moreover, we propose…

Computer Vision and Pattern Recognition · Computer Science 2017-11-30 Jian Xu , Cunzhao Shi , Chengzuo Qi , Chunheng Wang , Baihua Xiao
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