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Suppose we are given a large matrix $A=(a_{i,j})$ that cannot be stored in memory but is in a disk or is presented in a data stream. However, we need to compute a matrix decomposition of the entry-wisely transformed matrix,…
The evolution of a composite closed system using the integral wave equation with the kernel in the form of path integral is considered. It is supposed that a quantum particle is a subsystem of this system. The evolution of the reduced…
Modern computation relies crucially on modular architectures, breaking a complex algorithm into self-contained subroutines. A client can then call upon a remote server to implement parts of the computation independently via an application…
Speculative decoding is a technique to leverage hardware concurrency in order to enable multiple steps of token generation in a single forward pass, thus improving the efficiency of large-scale autoregressive (AR) Transformer models.…
We investigate strategies for simulating open quantum systems coupled to dissipative baths by comparing explicit wave function-based discretization [via multi-layer multi-configuration time-dependent Hartree (ML-MCTDH)] and the implicit…
We present an efficient algorithm for calculating the minimum energy path (MEP) and energy barriers between local minima on a multidimensional potential energy surface (PES). Such paths play a central role in the understanding of transition…
Many physical and chemical processes in the condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
Quantum computers hold great promise for efficiently simulating Fermionic systems, benefiting fields like quantum chemistry and materials science. To achieve this, algorithms typically begin by choosing a Fermion-to-qubit mapping to encode…
Weighted model integration (WMI) extends Weighted model counting (WMC) to the integration of functions over mixed discrete-continuous domains. It has shown tremendous promise for solving inference problems in graphical models and…
We consider approximate dynamic programming in $\gamma$-discounted Markov decision processes and apply it to approximate planning with linear value-function approximation. Our first contribution is a new variant of Approximate Policy…
This work presents a data-driven reduced-order modeling framework to accelerate the computations of $N$-body dynamical systems and their pair-wise interactions. The proposed framework differs from traditional acceleration methods, like the…
Quantum image processing is one of the promising fields of quantum information. The complexity overhead to design circuits to represent quantum images is a significant problem. So, we proposed a new method to minimize the total number…
We describe the TreePM method for carrying out large N-Body simulations to study formation and evolution of the large scale structure in the Universe. This method is a combination of Barnes and Hut tree code and Particle-Mesh code. It…
Model parameter inference is a universal problem across science. This challenge is particularly pronounced in developmental biology, where faithful mechanistic descriptions require spatial-stochastic models with numerous parameters, yet…
An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…
Processing-In-Memory (PIM) is a novel approach that augments existing DRAM memory chips with lightweight logic. By allowing to offload computations to the PIM system, this architecture allows for circumventing the data-bottleneck problem…
The metaplectic transform (MT), also known as the linear canonical transform, is a unitary integral mapping which is widely used in signal processing and can be viewed as a generalization of the Fourier transform. For a given function…
Current motion planning approaches for autonomous mobile robots often assume that the low level controller of the system is able to track the planned motion with very high accuracy. In practice, however, tracking error can be affected by…
Multiplex tissue imaging (MTI) enables high- dimensional, spatially resolved measurements of the tumor microenvironment (TME), but most clinical datasets are tempo- rally undersampled and longitudinally limited, restricting direct inference…