Calibrating the chemical-diffusive model using the detonation cell data

AbstractIn unstructured finite volume method, loop on different mesh components such as cells, faces, nodes, etc is used widely for the traversal of data. Mesh loop results in direct or indirect data access that affects data locality significantly. By loop on mesh, many threads accessing the same data lead to data dependence. Both data locality and data dependence play an important part in the performance of GPU simulations. For optimizing a GPU-accelerated unstructured finite volume Computational Fluid Dynamics (CFD) program, the performance of hot spots under different loops on cells, faces, and nodes is evaluated on Nvidia Tesla V100 and K80. Numerical tests under different mesh scales show that the effects of mesh loop modes are different on data locality and data dependence. Specifically, face loop makes the best data locality, so long as access to face data exists in kernels. Cell loop brings the smallest overheads due to non-coalescing data access, when both cell and node data are used in computing without face data. Cell loop owns the best performance in the condition that only indirect access of cell data exists in kernels. Atomic operations reduced the performance of kernels largely in K80, which is not obvious on V100. With the suitable mesh loop mode in all kernels, the overall performance of GPU simulations can be increased by 15%-20%. Finally, the program on a single GPU V100 can achieve maximum 21.7 and average 14.1 speed up compared with 28 MPI tasks on two Intel CPUs Xeon Gold 6132.

Download Full-text

Identifying cell types from single-cell data based on similarities and dissimilarities between cells

BMC Bioinformatics ◽

10.1186/s12859-020-03873-z ◽

2021 ◽

Vol 22 (S3) ◽

Author(s):

Yuanyuan Li ◽

Ping Luo ◽

Yi Lu ◽

Fang-Xiang Wu

Keyword(s):

Gene Expression ◽

Single Cell ◽

Spectral Clustering ◽

Incidence Matrix ◽

Expression Patterns ◽

Cell Types ◽

Clustering Method ◽

Different Types ◽

Cell Data ◽

Spectral Clustering Method

Abstract Background With the development of the technology of single-cell sequence, revealing homogeneity and heterogeneity between cells has become a new area of computational systems biology research. However, the clustering of cell types becomes more complex with the mutual penetration between different types of cells and the instability of gene expression. One way of overcoming this problem is to group similar, related single cells together by the means of various clustering analysis methods. Although some methods such as spectral clustering can do well in the identification of cell types, they only consider the similarities between cells and ignore the influence of dissimilarities on clustering results. This methodology may limit the performance of most of the conventional clustering algorithms for the identification of clusters, it needs to develop special methods for high-dimensional sparse categorical data. Results Inspired by the phenomenon that same type cells have similar gene expression patterns, but different types of cells evoke dissimilar gene expression patterns, we improve the existing spectral clustering method for clustering single-cell data that is based on both similarities and dissimilarities between cells. The method first measures the similarity/dissimilarity among cells, then constructs the incidence matrix by fusing similarity matrix with dissimilarity matrix, and, finally, uses the eigenvalues of the incidence matrix to perform dimensionality reduction and employs the K-means algorithm in the low dimensional space to achieve clustering. The proposed improved spectral clustering method is compared with the conventional spectral clustering method in recognizing cell types on several real single-cell RNA-seq datasets. Conclusions In summary, we show that adding intercellular dissimilarity can effectively improve accuracy and achieve robustness and that improved spectral clustering method outperforms the traditional spectral clustering method in grouping cells.

Download Full-text