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Stereoisomers have the same molecular formula and the same atom connectivity and their existence can be related to the presence of different three-dimensional arrangements. Stereoisomerism is of great importance in many different fields…
Physiological signals are often organized in the form of multiple dimensions (e.g., channel, time, task, and 3D voxel), so it is better to preserve original organization structure when processing. Unlike vector-based methods that destroy…
For over 40 years lithographic silicon scaling has driven circuit integration and performance improvement in the semiconductor industry. As silicon scaling slows down, the industry is increasingly dependent on IC package technologies to…
We propose an efficient algorithm to analyze $3D$ atomic resolution crystal images based on a fast $3D$ synchrosqueezed wave packet transform. The proposed algorithm can automatically extract microscopic information from $3D$ atomic…
Low-order linear System IDentification (SysID) addresses the challenge of estimating the parameters of a linear dynamical system from finite samples of observations and control inputs with minimal state representation. Traditional…
Dimensionality reduction is a topic of recent interest. In this paper, we present the classification constrained dimensionality reduction (CCDR) algorithm to account for label information. The algorithm can account for multiple classes as…
The work proposes an image segmentation algorithm that isolates slender regions in three-dimensional microstructures. Characterizing slender regions in material microstructures is an extremely important aspect in material science because…
Scanning tunneling and atomic force microscopies (STM/nc-AFM) are rapidly progressing to offer unprecedented spatial resolution of a diverse array of chemical species. In particular, they are employed to characterize on-surface chemical…
We introduce and analyze the new range-separated (RS) canonical/Tucker tensor format which aims for numerical modeling of the 3D long-range interaction potentials in multi-particle systems. The main idea of the RS tensor format is the…
Open-world promptable 3D semantic segmentation remains brittle as semantics are inferred in the input sensor coordinates. Yet, humans, in contrast, interpret parts via functional roles in a canonical space -- wings extend laterally, handles…
In this paper we present a semi-automatic 2D-3D local registration pipeline capable of coloring 3D models obtained from 3D scanners by using uncalibrated images. The proposed pipeline exploits the Structure from Motion (SfM) technique in…
We study the problem of finding structured low-rank matrices using nuclear norm regularization where the structure is encoded by a linear map. In contrast to most known approaches for linearly structured rank minimization, we do not (a) use…
Canonical Polyadic Decomposition (CPD) of a third-order tensor is a minimal decomposition into a sum of rank-$1$ tensors. We find new mild deterministic conditions for the uniqueness of individual rank-$1$ tensors in CPD and present an…
Atomic norm minimization (ANM) is a key approach for line spectral estimation (LSE). Most related algorithms formulate ANM as a semidefinite programming (SDP), which incurs high computational cost. In this letter, we revisit the ANM problem…
Rydberg atom arrays are a promising platform for quantum optimization, encoding computationally hard problems by reducing them to independent set problems with unit-disk graph topology. In Nguyen et al., PRX Quantum 4, 010316 (2023), a…
Realistic microscale domains are an essential step towards making modern multiscale simulations more applicable to computational materials engineering. For this purpose, 3D computed tomography scans can be very expensive or technically…
Localized representation of the Kohn-Sham subspace plays an important role in quantum chemistry and materials science. The recently developed selected columns of the density matrix (SCDM) method [J. Chem. Theory Comput. 11, 1463, 2015] is a…
Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do…
This work presents an approach for automating the discretization and approximation procedures in constructing digital representations of composites from Micro-CT images featuring intricate microstructures. The proposed method is guided by…
The sparse dictionary coding framework represents signals as a linear combination of a few predefined dictionary atoms. It has been employed for images, time series, graph signals and recently for 2-way (or 2D) spatio-temporal data…