相关论文: Systematic pathway generation and sorting in marte…

We consider the problem of partial order production: arrange the elements of an unknown totally ordered set T into a target partially ordered set S, by comparing a minimum number of pairs in T. Special cases include sorting by comparisons,…

We present superconducting quantum circuits which exhibit atomic energy spectrum and selection rules as ladder and lambda three-level configurations designed by means of genetic algorithms. These heuristic optimization techniques are…

A spatially extended classical system with metastable states subject to weak spatiotemporal noise can exhibit a transition in its activation behavior when one or more external parameters are varied. Depending on the potential, the…

Two path integral representations for the $T$-matrix in nonrelativistic potential scattering are derived and proved to produce the complete Born series when expanded to all orders. They are obtained with the help of "phantom" degrees of…

Silicon exhibits several metastable allotropes which recently attracted attention in the quest for materials with superior (e.g. optical) properties, compatible with Si technology. In this work we shed light on the atomic-scale mechanisms…

We apply the Dijkstra algorithm to generate optimal paths between two given sites on a lattice representing a disordered energy landscape. We study the geometrical and energetic scaling properties of the optimal path where the energies are…

Conditional graph generation tasks involve training a model to generate a graph given a set of input conditions. Many previous studies employ autoregressive models to incrementally generate graph components such as nodes and edges. However,…

A novel mechanism for the appearance of oriented processes is investigated with a flexible dynamical system overcoming barriers. Under non-equilibrium condition with external driving, reaction paths deviate from that at equilibrium with an…

A magnetically trapped atom experiences an adiabatic geometric (Berry's) phase due to changing field direction. We investigate theoretically such an Aharonov-Bohm-like geometric phase for atoms adiabatically moving inside a storage ring as…

We demonstrate that the counting statistics of currents in periodically driven ergodic stochastic systems can show sharp changes of some of its properties in response to continuous changes of the driving protocol. To describe this effect,…

Given a graph $G$ and two spanning trees $T$ and $T'$ in $G$, Spanning Tree Reconfiguration asks whether there is a step-by-step transformation from $T$ to $T'$ such that all intermediates are also spanning trees of $G$, by exchanging an…

Many networked systems involve multiple modes of transport. Such systems are called multimodal, and examples include logistic networks, biomedical phenomena, manufacturing process and telecommunication networks. Existing techniques for…

A consequent approach is proposed to construct symplectic force-gradient algorithms of arbitrarily high orders in the time step for precise integration of motion in classical and quantum mechanics simulations. Within this approach the basic…

A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…

The optimal transport problem has many applications in machine learning, physics, biology, economics, etc. Although its goal is very clear and mathematically well-defined, finding its optimal solution can be challenging for large datasets…

We investigate high-order harmonic generation in inhomogeneous media for reduced dimensionality models. We perform a phase-space analysis, in which we identify specific features caused by the field inhomogeneity. We compute high-order…

We propose a supervised machine learning algorithm, decision trees, to analyze molecular dynamics output. The approach aims to identify the predominant geometric features which correlate with trajectories that transition between two…

Optimization of atomic structures presents a challenging problem, due to their highly rough and non-convex energy landscape, with wide applications in the fields of drug design, materials discovery, and mechanics. Here, we present a graph…

We introduce an atomistic classifier based on a combination of spectral graph theory and a Voronoi tessellation method. This classifier allows for the discrimination between structures from different minima of a potential energy surface,…

This chapter provides a comprehensive survey of foundational results and recent advances concerning minimal generating sets for the mapping class group of a nonorientable surface, $\mathrm{Mod}(N_{g})$, and its index-two twist subgroup,…