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The Variational Quantum Eigensolver (VQE) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…
Previous multi-task dense prediction studies developed complex pipelines such as multi-modal distillations in multiple stages or searching for task relational contexts for each task. The core insight beyond these methods is to maximize the…
Optimizing deformation energies over a mesh, in two or three dimensions, is a common and critical problem in physical simulation and geometry processing. We present three new improvements to the state of the art: a barrier-aware line-search…
With this work, we release CLAIRE, a distributed-memory implementation of an effective solver for constrained large deformation diffeomorphic image registration problems in three dimensions. We consider an optimal control formulation. We…
Accurately describing strongly correlated electronic systems remains a central challenge in quantum chemistry, as electron-electron interactions give rise to complex many-body wavefunctions that are difficult to capture with conventional…
We present an efficient, robust and fully GPU-accelerated aggregation-based algebraic multigrid preconditioning technique for the solution of large sparse linear systems. These linear systems arise from the discretization of elliptic PDEs.…
We propose a quantum-classical hybrid method for solving large-scale mixed-integer quadratic problems (MIQP). Although extended Benders decomposition is effective for MIQP, its master problem which handles the integer and quadratic…
The rapid progress of noisy intermediate-scale quantum (NISQ) computing underscores the need to test and evaluate new devices and applications. Quantum chemistry is a key application area for these devices, and therefore serves as an…
This study aims to develop a simulation framework for rotating detonation engines (RDEs) using multicomponentFluid solver in OpenFOAM v12 and to demonstrate reducing the computational costs by adaptive mesh refinement (AMR) and dynamic load…
We present a framework using the Quantized Tensor Train (QTT) decomposition to accurately and efficiently solve volume and boundary integral equations in three dimensions. We describe how the QTT decomposition can be used as a hierarchical…
Deep Learning Architectures employ heavy computations and bulk of the computational energy is taken up by the convolution operations in the Convolutional Neural Networks. The objective of our proposed work is to reduce the energy…
Efficient and accurate decoding of quantum error-correcting codes is essential for fault-tolerant quantum computation, however, it is challenging due to the degeneracy of errors, the complex code topology, and the large space for logical…
Vlasov solvers that operate on a phase-space grid are highly accurate but also numerically demanding. Coarse velocity space resolutions, which are unproblematic in particle-in-cell (PIC) simulations, can lead to numerical heating or…
The iterative diagonalization of a sequence of large ill-conditioned generalized eigenvalue problems is a computational bottleneck in quantum mechanical methods employing a nonorthogonal basis for {\em ab initio} electronic structure…
We study energy-conserving Hamiltonian Boundary Value Methods (HBVMs) for Hamiltonian systems, which arise in applications where long-term preservation of energy and symplecticity is essential. HBVMs are multi-stage schemes whose stage…
Science and engineering problems frequently require solving a sequence of dual linear systems. Besides having to store only few Lanczos vectors, using the BiConjugate Gradient method (BiCG) to solve dual linear systems has advantages for…
We study the solution of block-structured linear algebra systems arising in optimization by using iterative solution techniques. These systems are the core computational bottleneck of many problems of interest such as parameter estimation,…
Large Language Models (LLMs) face significant deployment challenges due to their substantial resource requirements. While low-bit quantized weights can reduce memory usage and improve inference efficiency, current hardware lacks native…
We consider a multidimensional polychromatic radiative transfer (RT) problem, accounting for scattering processes in a general form, i.e. anisotropic (dipole) scattering with partial frequency redistribution. Given a discrete ordinates…
The variational quantum eigensolver (VQE) is a leading strategy that exploits noisy intermediate-scale quantum (NISQ) machines to tackle chemical problems outperforming classical approaches. To gain such computational advantages on…