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Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical interatomic potentials at quantum-level accuracy. They can be trained based on high-fidelity…
The approximate computation of all gravitational forces between $N$ interacting particles via the fast multipole method (FMM) can be made as accurate as direct summation, but requires less than $\mathcal{O}(N)$ operations. FMM groups…
This paper introduces mathematical formalism for Spatial (SP) of Hierarchical Temporal Memory (HTM) with a spacial consideration for its hardware implementation. Performance of HTM network and its ability to learn and adjust to a problem at…
In this paper, we present a novel general framework grounded in the factor graph theory to solve kinematic and dynamic problems for multi-body systems. Although the motion of multi-body systems is considered to be a well-studied problem and…
This paper proposes a novel and insightful activation method termed FPLUS, which exploits mathematical power function with polar signs in form. It is enlightened by common inverse operation while endowed with an intuitive meaning of…
Accurate identification of material parameters is crucial for predictive modeling in computational mechanics. The two primary approaches in the experimental mechanics' community for calibration from full-field digital image correlation data…
Tabular Foundation Models (TFMs) have recently shown strong in-context learning capabilities on structured data, achieving zero-shot performance comparable to traditional machine learning methods. We find that zero-shot TFMs already achieve…
Motivated by a host of recent applications requiring some amount of redundancy, frames are becoming a standard tool in the signal processing toolbox. In this paper, we study a specific class of frames, known as discrete Fourier transform…
Controlling nonlinear dynamics arise in various engineering fields. We present efforts to model the forced van der Pol system control using physics-informed neural networks (PINN) compared to benchmark methods, including idealized nonlinear…
A general polarizable embedded (PE) quantum mechanics/molecular mechanics scheme for periodic systems is presented, describing mutual polarization of the two subsystems. The QM system, described with density functional theory (DFT), is…
Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should…
This paper presents a quantum-enhanced optimization approach for solving optimal power flow (OPF) by integrating the interior point method (IPM) with a coherent variational quantum linear solver (CVQLS). The objective is to explore the…
Molecular simulations are essential tools in computational chemistry, enabling the prediction and understanding of molecular interactions and thermodynamic properties of biomolecules. However, traditional force fields face significant…
Soft Clustering plays a very important rule on clustering real world data where a data item contributes to more than one cluster. Fuzzy logic based algorithms are always suitable for performing soft clustering tasks. Fuzzy C Means (FCM)…
The C preprocessor (CPP) is a standard tool for introducing variability into source programs and is often applied either implicitly or explicitly for implementing a Software Product Line (SPL). Despite its practical relevance, CPP has many…
Various Non-negative Matrix factorization (NMF) based methods add new terms to the cost function to adapt the model to specific tasks, such as clustering, or to preserve some structural properties in the reduced space (e.g., local…
This work aims to introduce the framework of polynomial optimization theory to solve fractional polynomial problems (FPPs). Unlike other widely used optimization frameworks, the proposed one applies to a larger class of FPPs, not…
Moving Morphable Component (MMC) based topology optimization approach is an explicit algorithm since the boundary of the entity explicitly described by its functions. Compared with other pixel or node point-based algorithms, it is optimized…
Data fusion models based on Coupled Matrix and Tensor Factorizations (CMTF) have been effective tools for joint analysis of data from multiple sources. While the vast majority of CMTF models are based on the strictly multilinear…
Fast algorithms for the computation of $N$-body problems can be broadly classified into mesh-based interpolation methods, and hierarchical or multiresolution methods. To this last class belongs the well-known fast multipole method (FMM),…