Related papers: Adaptive Finite State Projection with Quantile-Bas…
In this paper we present an active-set method for the solution of $\ell_1$-regularized convex quadratic optimization problems. It is derived by combining a proximal method of multipliers (PMM) strategy with a standard semismooth Newton…
In the real world, insufficient information, limited computation resources, and complex problem structures often force an autonomous agent to make a decision in time less than that required to solve the problem at hand completely. Flexible…
Quantum Krylov algorithms have emerged as a promising approach for ground-state energy estimation in the near-term quantum computing era. A major challenge, however, lies in their inherently substantial sampling cost, primarily due to the…
An efficient state estimation model, neural network estimation (NNE), empowered by machine learning techniques, is presented for full quantum state tomography (FQST). A parameterized function based on neural network is applied to map the…
We propose a high order adaptive-rank implicit integrators for stiff time-dependent PDEs, leveraging extended Krylov subspaces to efficiently and adaptively populate low-rank solution bases. This allows for the accurate representation of…
In this paper, we propose efficient quantum algorithms for solving nonlinear stochastic differential equations (SDE) via the associated Fokker-Planck equation (FPE). We discretize the FPE in space and time using two well-known numerical…
Large Language Models (LLMs) can enhance reasoning capabilities through test-time scaling by generating multiple traces. However, the combination of lengthy reasoning traces with multiple sampling introduces substantial computation and high…
Accurate prediction of rarefied gas flows is important for space vehicle design, particularly in rarefied regimes where the Navier-Stokes equations are no more valid. While the direct simulation Monte Carlo (DSMC) method acts as a numerical…
This paper deals with the identification of piecewise affine state-space models. These models are obtained by partitioning the state or input domain into a finite number of regions and by considering affine submodels in each region. The…
Quantum state tomography (QST) for reconstructing pure states requires exponentially increasing resources and measurements with the number of qubits by using state-of-the-art quantum compressive sensing (CS) methods. In this article, QST…
The semiconductor industry faces a computational crisis in extreme ultraviolet (EUV) lithography optimization, where traditional methods consume billions of CPU hours while failing to achieve sub-nanometer precision. We present a…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
In this paper, we consider a planning problem for a large-scale system modelled as a hierarchical finite state machine (HFSM) and develop a control algorithm for computing optimal plans between any two states. The control algorithm consists…
Subspace identification method (SIM) has been proven to be very useful and numerically robust for estimating state-space models. However, it is in general not believed to be as accurate as the prediction error method (PEM). Conversely, PEM,…
We focus on the problem of optimal control of large-scale systems whose models are obtained by discretization of partial differential equations using the Finite Element (FE) or Finite Difference (FD) methods. The motivation for studying…
Quantum phase estimation (QPE) is a key quantum algorithm, which has been widely studied as a method to perform chemistry and solid-state calculations on future fault-tolerant quantum computers. Recently, several authors have proposed…
Sequential Monte Carlo squared (SMC$^2$) methods can be used for parameter inference of intractable likelihood state-space models. These methods replace the likelihood with an unbiased particle filter estimator, similarly to particle Markov…
The phase field model is a widely used mathematical approach for describing crack propagation in continuum damage fractures. In the context of phase field fracture simulations, adaptive finite element methods (AFEM) are often employed to…
The current state of the art for large-scale quantum-mechanical simulations is the planewave (PW) pseudopotential method, as implemented in codes such as VASP, ABINIT, and many others. However, since the PW method uses a global Fourier…
Hybrid quantum/molecular mechanics (QM/MM) models play a pivotal role in molecular simulations. These models provide a balance between accuracy, surpassing pure MM models, and computational efficiency, offering advantages over pure QM…