Lai Wei

Sadman Sadeed Omee, Lai Wei, Jianjun Hu

While crystal structure prediction (CSP) remains a longstanding challenge, we introduce ParetoCSP, a novel algorithm for CSP, which combines a multi-objective genetic algorithm (MOGA) with a neural network inter-atomic potential (IAP) model to find energetically optimal crystal structures given chemical compositions. We enhance the NSGA-III algorithm by incorporating the genotypic age as an independent optimization criterion and employ the M3GNet universal IAP to guide the GA search. Compared to GN-OA, a state-of-the-art neural potential based CSP algorithm, ParetoCSP demonstrated significantly better predictive capabilities, outperforming by a factor of $2.562$ across $55$ diverse benchmark structures, as evaluated by seven performance metrics. Trajectory analysis of the traversed structures of all algorithms shows that ParetoCSP generated more valid structures than other algorithms, which helped guide the GA to search more effectively for the optimal structures

Lai Wei, Shanshan Song

Multiview subspace clustering (MVSC) has attracted an increasing amount of attention in recent years. Most existing MVSC methods first collect complementary information from different views and consequently derive a consensus reconstruction coefficient matrix to indicate the subspace structure of a multi-view data set. In this paper, we initially assume the existence of a consensus reconstruction coefficient matrix and then use it to build a consensus graph filter. In each view, the filter is employed for smoothing the data and designing a regularizer for the reconstruction coefficient matrix. Finally, the obtained reconstruction coefficient matrices from different views are used to create constraints for the consensus reconstruction coefficient matrix. Therefore, in the proposed method, the consensus reconstruction coefficient matrix, the consensus graph filter, and the reconstruction coefficient matrices from different views are interdependent. We provide an optimization algorithm to obtain their optimal values. Extensive experiments on diverse multi-view data sets demonstrate that our approach outperforms some state-of-the-art methods.