相关论文: Direct minimization of electronic structure calcul…

This paper studies a novel algorithm for nonconvex composite minimization which can be interpreted in terms of dual space nonlinear preconditioning for the classical proximal gradient method. The proposed scheme can be applied to additive…

In this document we present a twistor correspondence for half-flat almost-Grassmannian structures on real and complex manifolds. We provide foundational results regarding local theory in the complex setting and a global correspondence when…

Recently, a Riemannian proximal Newton method has been developed for optimizing problems in the form of $\min_{x\in\mathcal{M}} f(x) + \mu \|x\|_1$, where $\mathcal{M}$ is a compact embedded submanifold and $f(x)$ is smooth. Although this…

We carry further our work [DV2] on orthonormal integrators based on Householder and Givens transformations. We propose new algorithms and pay particular attention to appropriate implementation of these techniques. We also present a suite of…

We propose a novel evolutionary algorithm for optimizing real-valued objective functions defined on the Grassmann manifold Gr}(k,n), the space of all k-dimensional linear subspaces of R^n. While existing optimization techniques on Gr}(k,n)…

We consider multi-value expansion planning (MEP), a general bilevel optimization model in which a planner optimizes arbitrary functions of the dispatch outcome in the presence of a partially controllable, competitive electricity market. The…

This paper explores variants of the subspace iteration algorithm for computing approximate invariant subspaces. The standard subspace iteration approach is revisited and new variants that exploit gradient-type techniques combined with a…

We address the problem of computing the smallest symplectic eigenvalues and the corresponding eigenvectors of symmetric positive-definite matrices in the sense of Williamson's theorem. It is formulated as minimizing a trace cost function…

Two-stage orthogonalization is essential in numerical algorithms such as Krylov subspace methods. For this task we need to orthogonalize a matrix $A$ against another matrix $V$ with orthonormal columns. A common approach is to employ the…

In recent years, stochastic variance reduction algorithms have attracted considerable attention for minimizing the average of a large but finite number of loss functions. This paper proposes a novel Riemannian extension of the Euclidean…

In this paper, we propose nonlinear conjugate gradient methods for vector optimization on Riemannian manifolds. The concepts of Wolfe and Zoutendjik conditions are extended for Riemannian manifolds. Specifically, we establish the existence…

Gaussian variational approximation is a popular methodology to approximate posterior distributions in Bayesian inference especially in high dimensional and large data settings. To control the computational cost while being able to capture…

In this work we introduce and study novel Quasi Newton minimization methods based on a Hessian approximation Broyden Class-\textit{type} updating scheme, where a suitable matrix $\tilde{B}_k$ is updated instead of the current Hessian…

Neural networks successfully capture the computational power of the human brain for many tasks. Similarly inspired by the brain architecture, Nearest Neighbor (NN) representations is a novel approach of computation. We establish a firmer…

In many applications, it is desired to obtain extreme eigenvalues and eigenvectors of large Hermitian matrices by efficient and compact algorithms. In particular, orthogonalization-free methods are preferred for large-scale problems for…

We consider the proximal gradient method on Riemannian manifolds for functions that are possibly not geodesically convex. Starting from the forward-backward-splitting, we define an intrinsic variant of the proximal gradient method that uses…

We develop an accelerated gradient descent algorithm on the Grassmann manifold to compute the subspace spanned by a number of leading eigenvectors of a symmetric positive semi-definite matrix. This has a constant cost per iteration and a…

We propose a fully discrete variational scheme for nonlinear evolution equations with gradient flow structure on the space of finite Radon measures on an interval with respect to a generalized version of the Wasserstein distance with…

We consider the problem of minimizing a non-convex function over a smooth manifold $\mathcal{M}$. We propose a novel algorithm, the Orthogonal Directions Constrained Gradient Method (ODCGM) which only requires computing a projection onto a…

In methods like geminal-based approaches or coupled cluster that are solved using the projected Schr\"odinger equation, direct computation of the 2-electron reduced density matrix (2-RDM) is impractical and one falls back to a 2-RDM based…