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In this paper, we demonstrate the efficiency of simulations via direct computation of the partition function under various macroscopic conditions, such as different temperatures or volumes. The method can compute partition functions by…
We provide a new approach to approximate emulation of large computer experiments. By focusing expressly on desirable properties of the predictive equations, we derive a family of local sequential design schemes that dynamically define the…
In this text we develop the formalism of products and powers of linear codes under componentwise multiplication. As an expanded version of the author's talk at AGCT-14, focus is put mostly on basic properties and descriptive statements that…
We study some aspects of a Monte Carlo method invented by Maggs and Rossetto for simulating systems of charged particles. It has the feature that the discretized electric field is updated locally when charges move. Results of simulations of…
Molecular dynamics (MD) simulations of complex electrochemical systems, such as ionic liquid supercapacitors, are increasingly including the constant potential method (CPM) to model conductive electrodes at specified potential difference,…
The modular composite representation (MCR) is a computing model that represents information with high-dimensional integer vectors using modular arithmetic. Originally proposed as a generalization of the binary spatter code model, it aims to…
We present a novel numerical method for solving the elliptic partial differential equation problem for the electrostatic potential with piecewise constant conductivity. We employ an integral equation approach for which we derive a system of…
Growth in both size and complexity of modern data challenges the applicability of traditional likelihood-based inference. Composite likelihood (CL) methods address the difficulties related to model selection and computational intractability…
The coupled cluster method (CCM) is a method of quantum many-body theory that may provide accurate results for the ground-state properties of lattice quantum spin systems even in the presence of strong frustration and for lattices of…
In networks, there are often more than one source of capacity. The capacities can be permanently or temporarily owned by the decision maker. Depending on the nature of sources, we identify the permanent capacity, spot market capacity and…
In a recent paper, J. Chem. Phys. 162, 214101 (2025), a novel approach for the rigidification of a molecular cluster was proposed, in which starting with an all-atom (AA) potential, a coarse-grained (CG) potential for the associated cluster…
Composite function minimization captures a wide spectrum of applications in both computer vision and machine learning. It includes bound constrained optimization and cardinality regularized optimization as special cases. This paper proposes…
Cellular manufacturing (CM) is an approach that includes both flexibility of job shops and high production rate of flow lines. Although CM provides many benefits in reducing throughput times, setup times, work-in-process inventories but the…
Support vector machines (SVM) and other kernel techniques represent a family of powerful statistical classification methods with high accuracy and broad applicability. Because they use all or a significant portion of the training data,…
We propose a method for Monte Carlo simulations of systems with a complex action. The method has the advantages of being in principle applicable to any such system and provides a solution to the overlap problem. We apply it in random matrix…
An analytical solution for the optical efficiency of a luminescent solar concentrator is presented. Due to a large number of input parameters and their complex effect on the device efficiency numerical simulations have been previously used…
Compute-In-Memory (CIM) systems, particularly those utilizing ReRAM and memristive technologies, offer a promising path toward energy-efficient neural network computation. However, conventional quantization and compression techniques often…
Multiple Constant Multiplication (MCM) over integers is a frequent operation arising in embedded systems that require highly optimized hardware. An efficient way is to replace costly generic multiplication by bit-shifts and additions, i.e.…
This paper delves into the problem of computing robust controlled invariants for monotone continuous-time systems, with a specific focus on lower-closed specifications. We consider the classes of state monotone (SM) and control-state…
Ab initio Monte Carlo simulations have been performed to determine the equilibrium properties of liquid lithium and lithium clusters at different temperatures. First-principles density-functional methods were employed to calculate the…