Principal component analysis combined with truncated-Newton minimization for dimensionality reduction of chemical databases

DOI10.1007/S10107-002-0345-7zbMath1030.90514OpenAlexW2052054742MaRDI QIDQ1411638

Eugene M. Fluder, Dexuan Xie, Suresh B. Singh, Tamar Schlick

Publication date: 29 October 2003

Published in: Mathematical Programming. Series A. Series B (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10107-002-0345-7

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Methods of quasi-Newton type (90C53)

Related Items (2)

An incomplete Hessian Newton minimization method and its application in a chemical database problem ⋮ Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization

Uses Software

• L-BFGS
• ARPACK
• Unnamed Item
• Unnamed Item

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