Low-Order Scaling <i>G</i>₀<i>W</i>₀ by Pair Atomic Density Fitting حسب Arno Förster (8356044)

"…We demonstrate the scalability of our algorithm on a series of water clusters with up to 432 atoms and 7776 basis functions and observe asymptotic quadratic scaling with realistic threshold qualities controlling distance effects and basis sets of triple-ζ (TZ) plus double polarization quality. …"

A Generalized Attraction–Repulsion Potential and Revisited Fragment Library Improves PEP-FOLD Peptide Structure Prediction حسب Vincent Binette (12256395)

"…We find that the new predictions are superior, in particular with respect to the prediction of small β-targets, to those of APPTest and RaptorX and bring, with its original approach, additional understanding on folded structures, even when less precise than AlphaFold2. With their strong physical influence, the revised structural library and coarse-grained potential offer, however, the means for a deeper understanding of the nature of folding and open a solid basis for studying flexibility and other dynamical properties not accessible to IA structure prediction approaches.…"

A Generalized Attraction–Repulsion Potential and Revisited Fragment Library Improves PEP-FOLD Peptide Structure Prediction حسب Vincent Binette (12256395)

"…We find that the new predictions are superior, in particular with respect to the prediction of small β-targets, to those of APPTest and RaptorX and bring, with its original approach, additional understanding on folded structures, even when less precise than AlphaFold2. With their strong physical influence, the revised structural library and coarse-grained potential offer, however, the means for a deeper understanding of the nature of folding and open a solid basis for studying flexibility and other dynamical properties not accessible to IA structure prediction approaches.…"

DataSheet1_An optimized three-dimensional time-space domain staggered-grid finite-difference method.docx حسب Wei Liu (20030)

"…Examining the numerical dispersion, algorithm stability and computational cost, we compare our optimized time-space domain LS-based 3D SFD method with three conventional TE-based and LS-based 3D SFD methods to illustrate and demonstrate its effectiveness and feasibility. …"

Table_1_Integrated Evolutionary Learning: An Artificial Intelligence Approach to Joint Learning of Features and Hyperparameters for Optimized, Explainable Machine Learning.DOCX حسب Nina de Lacy (6559520)

"…In IEL the machine learning algorithm of choice is nested inside an evolutionary algorithm which selects features and hyperparameters over generations on the basis of an information function to converge on an optimal solution. …"

Table_2_Integrated Evolutionary Learning: An Artificial Intelligence Approach to Joint Learning of Features and Hyperparameters for Optimized, Explainable Machine Learning.DOCX حسب Nina de Lacy (6559520)

"…In IEL the machine learning algorithm of choice is nested inside an evolutionary algorithm which selects features and hyperparameters over generations on the basis of an information function to converge on an optimal solution. …"

Table4_Identifying Key MicroRNA Signatures for Neurodegenerative Diseases With Machine Learning Methods.XLSX حسب ZhanDong Li (11653330)

Table3_Identifying Key MicroRNA Signatures for Neurodegenerative Diseases With Machine Learning Methods.XLSX حسب ZhanDong Li (11653330)

Table2_Identifying Key MicroRNA Signatures for Neurodegenerative Diseases With Machine Learning Methods.XLSX حسب ZhanDong Li (11653330)

Table5_Identifying Key MicroRNA Signatures for Neurodegenerative Diseases With Machine Learning Methods.XLSX حسب ZhanDong Li (11653330)

Table1_Identifying Key MicroRNA Signatures for Neurodegenerative Diseases With Machine Learning Methods.XLSX حسب ZhanDong Li (11653330)

Analysis of kinematics and leveling performance of a novel cable-driven parallel automatic leveling robot for spacecraft hoisting حسب Zhuohong Dai (21215147)

"…This study offers new solutions for spacecraft hoisting, also provides theoretical basis and reference for the optimization design and precise control of the robot in the future.…"