rgmin
Bibliography#
Every reference the crate’s rustdoc and narrative docs cite, exported
from the rgmin-docs ookcite collection (validated DOIs only; the
gate list rustdoc must draw from is docs/CITATIONS.md). Regenerate
docs/source/references.bib through ookcite export_collection;
never edit the BibTeX by hand.
R. Fletcher. Function minimization by conjugate gradients. The Computer Journal, 1964. doi:10.1093/comjnl/7.2.149.
R. Fletcher and M. J. D. Powell. A rapidly convergent descent method for minimization. The Computer Journal, 1963. doi:10.1093/comjnl/6.2.163.
Y. H. Dai and Y. Yuan. A nonlinear conjugate gradient method with a strong global convergence property. SIAM Journal on Optimization, 1999. doi:10.1137/s1052623497318992.
William W. Hager and Hongchao Zhang. A new conjugate gradient method with guaranteed descent and an efficient line search. SIAM Journal on Optimization, 2005. doi:10.1137/030601880.
Y. Liu and C. Storey. Efficient generalized conjugate gradient algorithms, part 1: theory. Journal of Optimization Theory and Applications, 1991. doi:10.1007/bf00940464.
Dong C. Liu and Jorge Nocedal. On the limited memory bfgs method for large scale optimization. Mathematical Programming, 1989. doi:10.1007/bf01589116.
Jorge Nocedal. Updating quasi-newton matrices with limited storage. Mathematics of Computation, 1980. doi:10.1090/s0025-5718-1980-0572855-7.
Jose Luis Morales and Jorge Nocedal. Remark on "algorithm 778: l-bfgs-b: fortran subroutines for large-scale bound constrained optimization". ACM Transactions on Mathematical Software, 2011. doi:10.1145/2049662.2049669.
Richard H. Byrd, Peihuang Lu, Jorge Nocedal, and Ciyou Zhu. A limited memory algorithm for bound constrained optimization. SIAM Journal on Scientific Computing, 1995. doi:10.1137/0916069.
D. F. Shanno. Conditioning of quasi-newton methods for function minimization. Mathematics of Computation, 1970. doi:10.1090/s0025-5718-1970-0274029-x.
C. G. Broyden. The convergence of a class of double-rank minimization algorithms 1. general considerations. IMA Journal of Applied Mathematics, 1970. doi:10.1093/imamat/6.1.76.
Philip Wolfe. Convergence conditions for ascent methods. SIAM Review, 1969. doi:10.1137/1011036.
Q. Huangfu and J. A. J. Hall. Parallelizing the dual revised simplex method. Mathematical Programming Computation, 2018. doi:10.1007/s12532-017-0130-5.
R. Fletcher. A new approach to variable metric algorithms. The Computer Journal, 1970. doi:10.1093/comjnl/13.3.317.
Jorge Nocedal and Stephen J. Wright. Numerical Optimization. Springer, 2006. ISBN 9780387303031. doi:10.1007/978-0-387-40065-5.
Magnus R. Hestenes. Multiplier and gradient methods. Journal of Optimization Theory and Applications, 1969. doi:10.1007/bf00927673.
Diederik P. Kingma and Jimmy Ba. Adam: a method for stochastic optimization. Technical Report, arXiv, 2014. doi:10.48550/arxiv.1412.6980.
J. Kennedy and R. Eberhart. Particle swarm optimization. In Proceedings of ICNN'95 - International Conference on Neural Networks. 1995. doi:10.1109/icnn.1995.488968.
Ajit Banerjee, Noah Adams, Jack Simons, and Ron Shepard. Search for stationary points on surfaces. The Journal of Physical Chemistry, 1985. doi:10.1021/j100247a015.
Marcos Raydan. The barzilai and borwein gradient method for the large scale unconstrained minimization problem. SIAM Journal on Optimization, 1997. doi:10.1137/s1052623494266365.
Trond Steihaug. The conjugate gradient method and trust regions in large scale optimization. SIAM Journal on Numerical Analysis, 1983. doi:10.1137/0720042.
J. E. Dennis and Robert B. Schnabel. Numerical Methods for Unconstrained Optimization and Nonlinear Equations. Society for Industrial and Applied Mathematics, 1996. ISBN 9780898713640. doi:10.1137/1.9781611971200.
Jon Baker. An algorithm for the location of transition states. Journal of Computational Chemistry, 1986. doi:10.1002/jcc.540070402.
Jonathan Barzilai and Jonathan M. Borwein. Two-point step size gradient methods. IMA Journal of Numerical Analysis, 1988. doi:10.1093/imanum/8.1.141.
Coralia Cartis, Nicholas I. M. Gould, and Philippe L. Toint. Adaptive cubic regularisation methods for unconstrained optimization. part i: motivation, convergence and numerical results. Mathematical Programming, 2011. doi:10.1007/s10107-009-0286-5.
Erik Bitzek, Pekka Koskinen, Franz Gahler, Michael Moseler, and Peter Gumbsch. Structural relaxation made simple. Physical Review Letters, 2006. doi:10.1103/physrevlett.97.170201.
Jorge J. More and D. C. Sorensen. Computing a trust region step. SIAM Journal on Scientific and Statistical Computing, 1983. doi:10.1137/0904038.
Jorge J. More and David J. Thuente. Line search algorithms with guaranteed sufficient decrease. ACM Transactions on Mathematical Software, 1994. doi:10.1145/192115.192132.
Julien Guenole, Wolfram G. Nohring, Aviral Vaid, Frederic Houlle, Zhuocheng Xie, Aruna Prakash, and Erik Bitzek. Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps. Computational Materials Science, 2020. doi:10.1016/j.commatsci.2020.109584.
J. C. Spall. Multivariate stochastic approximation using a simultaneous perturbation gradient approximation. IEEE Transactions on Automatic Control, 1992. doi:10.1109/9.119632.
Eric D. Hermes, Khachik Sargsyan, Habib N. Najm, and Judit Zador. Sella, an open-source automation-friendly molecular saddle point optimizer. Journal of Chemical Theory and Computation, 2022. doi:10.1021/acs.jctc.2c00395.
Nicolas Boumal. An Introduction to Optimization on Smooth Manifolds. Cambridge University Press, 2023. ISBN 9781009166164. doi:10.1017/9781009166164.
Michael Page and James W. McIver. On evaluating the reaction path hamiltonian. The Journal of Chemical Physics, 1988. doi:10.1063/1.454172.
P.-A. Absil, R. Mahony, and R. Sepulchre. Optimization Algorithms on Matrix Manifolds. Princeton University Press, 2008. ISBN 9781400830244. doi:10.1515/9781400830244.
Zachary Frangella, Joel A. Tropp, and Madeleine Udell. Randomized nystrom preconditioning. SIAM Journal on Matrix Analysis and Applications, 2023. doi:10.1137/21m1466244.
L. Grippo, F. Lampariello, and S. Lucidi. A nonmonotone line search technique for newton's method. SIAM Journal on Numerical Analysis, 1986. doi:10.1137/0723046.
Andrew R. Conn, Nicholas I. M. Gould, and Philippe L. Toint. Trust Region Methods. Society for Industrial and Applied Mathematics, 2000. doi:10.1137/1.9780898719857.
Dong-Hui Li and Masao Fukushima. On the global convergence of the bfgs method for nonconvex unconstrained optimization problems. SIAM Journal on Optimization, 2001. doi:10.1137/s1052623499354242.
Kazuhiro Ishida, Keiji Morokuma, and Andrew Komornicki. The intrinsic reaction coordinate. an ab initio calculation for hnc to hcn. The Journal of Chemical Physics, 1977. doi:10.1063/1.434152.
Martin Fodslette Moller. A scaled conjugate gradient algorithm for fast supervised learning. Neural Networks, 1993. doi:10.1016/s0893-6080(05)80056-5.