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We discuss an instability in the leapfrog integration algorithm, widely used in current Hybrid Monte Carlo (HMC) simulations of lattice QCD. We demonstrate the instability in the simple harmonic oscillator (SHO) system where it is manifest.…
We report an efficient algorithm using density fitting for the relativistic complete active space self-consistent field (CASSCF) method, which is significantly more stable than the algorithm previously reported by one of the authors [J. E.…
We extend previous work concerning rest-frame partial-wave mixing in Hamiltonian effective field theory to both elongated and moving systems, where two particles are in a periodic elongated cube or have nonzero total momentum, respectively.…
Recently, continuous-time dynamical systems have proved useful in providing conceptual and quantitative insights into gradient-based optimization, widely used in modern machine learning and statistics. An important question that arises in…
This report investigates the fitting of the Hessian or its inverse for stochastic optimizations using a Hessian fitting criterion derived from the preconditioned stochastic gradient descent (PSGD) method. This criterion is closely related…
We present a new class of integrators for stiff PDEs. These integrators are generalizations of FLow AVeraging integratORS (FLAVORS) for stiff ODEs and SDEs introduced in [Tao, Owhadi and Marsden 2010] with the following properties: (i)…
We construct several variational integrators--integrators based on a discrete variational principle--for systems with Lagrangians of the form L = L_A + epsilon L_B, with epsilon << 1, where L_A describes an integrable system. These…
An overview of Hamiltonian systems with noncanonical Poisson structures is given. Examples of bi-Hamiltonian ode's, pde's and lattice equations are presented. Numerical integrators using generating functions, Hamiltonian splitting,…
We consider a one-dimensional optical lattice of three-dimensional Harmonic Oscillators which are loaded with neutral fermionic atoms trapped into two hyperfine states. By means of a standard variational coherent-state procedure, we derive…
Langevin and Brownian simulations play a prominent role in computational research, and state of the art integration algorithms provide trajectories with different stability ranges and accuracy in reproducing statistical averages. The…
We propose a matrix-free finite element (FE) homogenization scheme that is considerably more efficient than generic FE implementations. The efficiency of our scheme follows from a preconditioned well-scaled reformulation allowing for the…
We propose an efficient algorithm for the ground state of frustration-free one-dimensional gapped Hamiltonians. This algorithm is much simpler than the original one by Landau et al., and thus may be easily accessible to a general audience…
Symplectic integration algorithms have become popular in recent years in long-term orbital integrations because these algorithms enforce certain conservation laws that are intrinsic to Hamiltonian systems. For problems with large variations…
We consider 1D lattices described by Hubbard or Bose-Hubbard models, in the presence of periodic high-frequency perturbations, such as uniform ac force or modulation of hopping coefficients. Effective Hamiltonians for interacting particles…
Recently a new class of numerical integration methods -- ``mixed variable symplectic integrators'' -- has been introduced for studying long-term evolution in the conservative gravitational few-body problem. These integrators are an order of…
New ladder operators are constructed for a rational extension of the harmonic oscillator associated with type III Hermite exceptional orthogonal polynomials and characterized by an even integer $m$. The eigenstates of the Hamiltonian…
We apply a new coordinate space method for the evaluation of lattice Feynman diagrams suggested by L\"uscher and Weisz to field theories in two dimensions. Our work is to be presented for the theories with massless propagators. The main…
Light-Front quantization is one of the most promising and physical tools towards studying deep inelastic scattering on the basis of quark gluon degrees of freedom. The simplified vacuum structure (nontrivial vacuum effects can only appear…
Parton fragmentation functions (FFs) are indispensable for understanding processes of hadron production ubiquitously existing in high-energy collisions, but their first principle determination has never been realized due to the…
The emergence of big data has caused a dramatic shift in the operating regime for optimization algorithms. The performance bottleneck, which used to be computations, is now often communications. Several gradient compression techniques have…