Alternating minimal energy methods for linear systems in higher dimensions
Abstract
When high-dimensional
problems are concerned, not much algorithms can break the curse of
dimensionality, and solve them efficiently and reliably. Among those, tensor
product algorithms, which implement the idea of separation of variables for
multi-index arrays (tensors), seem to be the most general and also very
promising. They originated in quantum physics and chemistry and descent broadly
from the density matrix renormalization group (DMRG) and matrix
product states (MPS) formalisms. The same tensor formats were recently
re-discovered in the numerical linear algebra (NLA) community as the tensor
train (TT) format.
Algorithms developed in the quantum physics community are based on the
optimisation in tensor formats, that is performed subsequently for all
components of a tensor format (i.e. all sites or modes).
The DMRG/MPS schemes are very efficient but very difficult to analyse, and at
the moment only local convergence results for the simplest algorithm are
available. In the NLA community, a common approach is to use a classical
iterative scheme (e.g. GMRES) and enforce the compression to a tensor format at
every step. The formal analysis is quite straightforward, but tensor ranks of
the vectors which span the Krylov subspace grow rapidly with iterations, and
the methods are struggling in practice.
The first attempt to merge classical iterative algorithms and DMRG/MPS methods
was made by White (2005), where the second Krylov vector is used to expand the
search space on the optimisation step.
The idea proved to be useful, but the implementation was based on the fair
amount of physical intuition, and the algorithm is not completely justified.
We have recently proposed the AMEn algorithm for linear systems, that also
injects the gradient direction in the optimisation step, but in a way that
allows to prove the global convergence of the resulted scheme. The
scheme can be easily applied for the computation of the ground state --- the
differences to the algorithm of S. White are emphasized in Dolgov and
Savostyanov (2013).
The AMEn scheme is already acknowledged in the NLA community --- for example it
was recently applied for the computation of extreme eigenstates by Kressner,
Steinlechner and Uschmajew (2013), using the block-TT format proposed by in
Dolgov, Khoromskij, Oseledets and Savostyanov (2014).
At the moment, AMEn algorithm was applied
- to simulate the NMR spectra of large molecules (such as ubiquitin),
- to solve the Fokker-Planck equation for the non-Newtonian polymeric
flows,
- to the chemical master equation describing the mesoscopic model of gene
regulative networks,
- to solve the Heisenberg model problem for a periodic spin chain.
We aim to extend this framework and the analysis to other problems of NLA:
eigenproblems, time-dependent problems, high-dimensional interpolation, and
matrix functions; as well as to a wider list of high-dimensional
problems.
This is a joint work with Sergey Dolgov the from Max-Planck Institute for
Mathematics in the Sciences, Leipzig, Germany.
Alternating minimal energy methods for linear systems in higher dimensions.
Abstract
We propose a new algorithm for the approximate solution of large-scale high-dimensional tensor-structured linear systems. It can be applied to high-dimensional differential equations, which allow a low-parametric approximation of the multilevel matrix, right-hand side and solution in a tensor product format. We apply standard one-site tensor optimisation algorithm (ALS), but expand the tensor manifolds using the classical iterative schemes (e.g. steepest descent). We obtain the rank--adaptive algorithm with the theoretical convergence estimate not worse than the one of the steepest descent, and fast practical convergence, comparable or even better than the convergence of more expensive two-site optimisation algorithm (DMRG).
The method is successfully applied for a high--dimensional problem of quantum chemistry, namely the NMR simulation of a large peptide.
This is a joint work with S.Dolgov (Max-Planck Institute, Leipzig, Germany), supported by RFBR and EPSRC grants.
Keywords: high--dimensional problems, tensor train format, ALS, DMRG, steepest descent, convergence rate, superfast algorithms, NMR.
Partial actions of Groups in Coarse Geometry
Abstract
Group actions play an important role in both topological problems and coarse geometric conjectures. I will introduce the idea of a partial action of a group on a metric space and explain, in the case of certain classes of coarsely disconnected spaces, how partial actions can be used to give a geometric proof of a result of Willett and Yu concerning the coarse Baum-Connes conjecture.
17:00
"Tits alternatives for graph products of groups".
Abstract
Graph products of groups naturally generalize direct and free products and have a rich subgroup structure. Basic examples of graph products are right angled Coxeter and Artin groups. I will discuss various forms of Tits Alternative for subgroups and
their stability under graph products. The talk will be based on a joint work with Yago Antolin Pichel.
Entropy Splitting for High-Order Numerical Simulation of Compressible Turbulence
Abstract
This work forms part of a larger research project to develop efficient
low-dissipative high-order numerical techniques for high-speed
turbulent flow simulation, including shock wave interactions with
turbulence. The requirements on a numerical method are stringent.For
the turbulence the method must be capable of resolving accurately a
wide range of length scales, whilst for shock waves the method must be
stable and not generate excessive local oscillations. Conventional
methods are either too dissipative, or incapable of shock capturing.
Higher-order ENO, WENO or hybrid schemes are too expensive for
practical computations. Previous work of Yee, Sandham & Djomehri
(1999) developed high-order shock-capturing schemes which minimize the
use of numerical dissipation away from shock
waves. The objective of the present study is to further minimize the
use of numerical dissipation for shock-free compressible turbulence
simulations.
Generalised finite and infinite elements for flow acoustics
Towards an SDP-based Algorithm for the satisfiability problem
Abstract
The satisfiability (SAT) problem is a central problem in mathematical
logic, computing theory, and artificial intelligence. We consider
instances of SAT specified by a set of boolean variables and a
propositional formula in conjunctive normal form. Given such an instance,
the SAT problem asks whether there is a truth assignment to the variables
such that the formula is satisfied. It is well known that SAT is in
general NP-complete, although several important special cases can be
solved in polynomial time. Extending the work of de Klerk, Warners and van
Maaren, we present new linearly sized semidefinite programming (SDP)
relaxations arising from a recently introduced paradigm of higher
semidefinite liftings for discrete optimization problems. These
relaxations yield truth assignments satisfying the SAT instance if a
feasible matrix of sufficiently low rank is computed. The sufficient rank
values differ between relaxations and can be viewed as a measure of the
relative strength of each relaxation. The SDP relaxations also have the
ability to prove that a given SAT formula is unsatisfiable. Computational
results on hard instances from the SAT Competition 2003 show that the SDP
approach has the potential to complement existing techniques for SAT.
Convex quadratic semi-definite programming problem: algorithms and applications
Abstract
The talk starts with a general introduction of the convex
quadratic semidefinite programming problem (QSDP), followed by a number of
interesting examples arising from finance, statistics and computer sciences.
We then discuss the concept of primal nondegeneracy for QSDP and show that
some QSDPs are nondegenerate and others are not even under the linear
independence assumption. The talk then moves on to the algorithmic side by
introducing the dual approach and how it naturally leads to Newton's method,
which is quadratically convergent for degenerate problems. On the
implementation side of the Newton method, we stress that direct methods for
the linear equations in Newton's method are impossible simply because the
equations are quite large in size and dense. Our numerical experiments use
the conjugate gradient method, which works quite well for the nearest
correlation matrix problem. We also discuss difficulties for us to find
appropriate preconditioners for the linear system encountered. The talk
concludes in discussing some other available methods and some future topics.