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We consider non-adiabatic transitions in multiple dimensions, which occur when the Born-Oppenheimer approximation breaks down. We present a general, multi-dimensional algorithm which can be used to accurately and efficiently compute the…
We examine self-avoiding walks in dimensions 4 to 8 using high-precision Monte-Carlo simulations up to length N=16384, providing the first such results in dimensions $d > 4$ on which we concentrate our analysis. We analyse the scaling…
Monte Carlo simulations, using the PERM algorithm, of interacting self-avoiding walks (ISAW) and interacting self-avoiding trails (ISAT) in five dimensions are presented which locate the collapse phase transition in those models. It is…
This paper describes an application of the Quantum Approximate Optimisation Algorithm (QAOA) to efficiently find approximate solutions for computational problems contained in the polynomially bounded NP optimisation complexity class (NPO…
In recent work, Lissovoi, Oliveto, and Warwicker (Artificial Intelligence (2023)) proved that the Move Acceptance Hyper-Heuristic (MAHH) leaves the local optimum of the multimodal CLIFF benchmark with remarkable efficiency. The $O(n^3)$…
Simulation of continuous time evolution requires time discretization on both classical and quantum computers. A finer time step improves simulation precision, but it inevitably leads to increased computational efforts. This is particularly…
Many promising applications of quantum computing with a provable speedup center around the HHL algorithm. Due to restrictions on the hardware and its significant demand on qubits and gates in known implementations, its execution is…
Q-learning is a stochastic approximation version of the classic value iteration. The literature has established that Q-learning suffers from both maximization bias and slower convergence. Recently, multi-step algorithms have shown practical…
We show how to apply the absorbing Markov chain Monte Carlo algorithm of Novotny to simulate kinetically constrained models of glasses. We consider in detail one-spin facilitated models, such as the East model and its generalizations to…
Quantum walks, the quantum analogue of the classical random walk, have been shown to underpin quantum algorithms for fluid dynamics. We propose the quantum half-adder gate method for quantum walks as a good benchmark algorithm, specifically…
We give faster algorithms for producing sparse approximations of the transition matrices of $k$-step random walks on undirected, weighted graphs. These transition matrices also form graphs, and arise as intermediate objects in a variety of…
Quantum walks are known to have nontrivial interactions with absorbing boundaries. In particular it has been shown that an absorbing boundary in the one dimensional quantum walk partially reflects information, as observed by absorption…
Szegedy's quantization of a reversible Markov chain provides a quantum walk whose spectral gap is quadratically larger than that of the classical walk. Quantum computers are therefore expected to provide a speedup of Metropolis-Hastings…
We study the problem of "isotropically rounding" a polytope $K\subset\mathbb{R}^n$, that is, computing a linear transformation which makes the uniform distribution on the polytope have roughly identity covariance matrix. We assume $K$ is…
Let D be a domain in the plane containing the origin. We are interested in the ensemble of self-avoiding walks (SAW's) in D which start at the origin and end on the boundary of the domain. We introduce an ensemble of SAW's that we expect to…
It is known that a better than $2$-approximation algorithm for the girth in dense directed unweighted graphs needs $n^{3-o(1)}$ time unless one uses fast matrix multiplication. Meanwhile, the best known approximation factor for a…
Nonadiabatic geometric quantum computation is dedicated to the realization of high-fidelity and robust quantum gates, which are necessary for fault-tolerant quantum computation. However, it is limited by cyclic and mutative evolution path,…
We describe the first strongly subquadratic time algorithm with subexponential approximation ratio for approximately computing the Fr\'echet distance between two polygonal chains. Specifically, let $P$ and $Q$ be two polygonal chains with…
This paper researches how the systematic errors in phase inversions affect the success rate and the number of iterations in optimized quantum random-walk search algorithm. Through geometric description of this algorithm, the model of the…
The move-acceptance hyper-heuristic was recently shown to be able to leave local optima with astonishing efficiency (Lissovoi et al., Artificial Intelligence (2023)). In this work, we propose two modifications to this algorithm that…