arXiv subjects

Wei-Hau Chang

Publications and source records attributed to Wei-Hau Chang.

3 recordsLinked to original sources

arXiv2021

Two-stage dimension reduction for noisy high-dimensional images and application to Cryogenic Electron Microscopy

Principal component analysis (PCA) is arguably the most widely used dimension-reduction method for vector-type data. When applied to a sample of images, PCA requires vectorization of the image data, which in turn entails solving an eigenvalue problem for the sample covariance matrix. We propose herein a two-stage dimension reduction (2SDR) method for image reconstruction from high-dimensional noisy image data. The first stage treats the image as a matrix, which is a tensor of order 2, and uses multilinear principal component analysis (MPCA) for matrix rank reduction and image denoising. The second stage vectorizes the reduced-rank matrix and achieves further dimension and noise reduction. Simulation studies demonstrate excellent performance of 2SDR, for which we also develop an asymptotic theory that establishes consistency of its rank selection. Applications to cryo-EM (cryogenic electronic microscopy), which has revolutionized structural biology, organic and medical chemistry, cellular and molecular physiology in the past decade, are also provided and illustrated with benchmark cryo-EM datasets. Connections to other contemporaneous developments in image reconstruction and high-dimensional statistical inference are also discussed.

eess.IV↗

arXiv2021

Cryo-RALib -- a modular library for accelerating alignment in cryo-EM

Thanks to automated cryo-EM and GPU-accelerated processing, single-particle cryo-EM has become a rapid structure determination method that permits capture of dynamical structures of molecules in solution, which has been recently demonstrated by the determination of COVID-19 spike protein in March, shortly after its breakout in late January 2020. This rapidity is critical for vaccine development in response to emerging pandemic. This explains why a 2D classification approach based on multi-reference alignment (MRA) is not as popular as the Bayesian-based approach despite that the former has advantage in differentiating structural variations under low signal-to-noise ratio. This is perhaps because that MRA is a time-consuming process and a modular GPU-acceleration library for MRA is lacking. Here, we introduce a library called Cryo-RALib that expands the functionality of CUDA library used by GPU ISAC. It contains a GPU-accelerated MRA routine for accelerating MRA-based classification algorithms. In addition, we connect the cryo-EM image analysis with the python data science stack so as to make it easier for users to perform data analysis and visualization. Benchmarking on the TaiWan Computing Cloud (TWCC) container shows that our implementation can accelerate the computation by one order of magnitude. The library is available at https://github.com/phonchi/Cryo-RAlib.

q-bio.QM↗

arXiv2014

$γ$-SUP: A clustering algorithm for cryo-electron microscopy images of asymmetric particles

Cryo-electron microscopy (cryo-EM) has recently emerged as a powerful tool for obtaining three-dimensional (3D) structures of biological macromolecules in native states. A minimum cryo-EM image data set for deriving a meaningful reconstruction is comprised of thousands of randomly orientated projections of identical particles photographed with a small number of electrons. The computation of 3D structure from 2D projections requires clustering, which aims to enhance the signal to noise ratio in each view by grouping similarly oriented images. Nevertheless, the prevailing clustering techniques are often compromised by three characteristics of cryo-EM data: high noise content, high dimensionality and large number of clusters. Moreover, since clustering requires registering images of similar orientation into the same pixel coordinates by 2D alignment, it is desired that the clustering algorithm can label misaligned images as outliers. Herein, we introduce a clustering algorithm $γ$-SUP to model the data with a $q$-Gaussian mixture and adopt the minimum $γ$-divergence for estimation, and then use a self-updating procedure to obtain the numerical solution. We apply $γ$-SUP to the cryo-EM images of two benchmark macromolecules, RNA polymerase II and ribosome. In the former case, simulated images were chosen to decouple clustering from alignment to demonstrate $γ$-SUP is more robust to misalignment outliers than the existing clustering methods used in the cryo-EM community. In the latter case, the clustering of real cryo-EM data by our $γ$-SUP method eliminates noise in many views to reveal true structure features of ribosome at the projection level.

stat.AP↗