Related papers: RESPACK: An ab initio tool for derivation of effec…
The ability to handle outliers is essential for performing the perspective-n-point (PnP) approach in practical applications, but conventional RANSAC+P3P or P4P methods have high time complexities. We propose a fast PnP solution named R1PPnP…
Information Retrieval (IR) evaluation involves far more complexity than merely presenting performance measures in a table. Researchers often need to compare multiple models across various dimensions, such as the Precision-Recall trade-off…
We report the development of a parallel FORTRAN code, RCCPAC, to solve the relativistic coupled-cluster equations for closed-shell and one-valence atoms and ions. The parallelization is implemented through the use of message passing…
Sampled structure sequences obtained, for instance, from real-time reactivity explorations or first-principles molecular dynamics simulations contain valuable information about chemical reactivity. Eventually, such sequences allow for the…
The calculation of minimum energy paths for transitions such as atomic and/or spin re-arrangements is an important task in many contexts and can often be used to determine the mechanism and rate of transitions. An important challenge is to…
Reconstructing continuous signals from a small number of discrete samples is a fundamental problem across science and engineering. In practice, we are often interested in signals with 'simple' Fourier structure, such as bandlimited,…
If the duration of the input pulse resonantly interacting with a system is comparable or smaller than the time required for the system to achieve the steady state, transient effects become important. For complex systems, a quantitative…
Finding reliably and efficiently the spectrum of the resonant states of an optical system under varying parameters of the medium surrounding it is a technologically important task, primarily due to various sensing applications.…
As the performance gains from accelerating quantized matrix multiplication plateau, the softmax operation becomes the critical bottleneck in Transformer inference. This bottleneck stems from two hardware limitations: (1) limited data…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
Fpack is a utility program for optimally compressing images in the FITS (Flexible Image Transport System) data format (see http://fits.gsfc.nasa.gov). The associated funpack program restores the compressed image file back to its original…
We consider the problem of estimating the sparse time-varying parameter vectors of a point process model in an online fashion, where the observations and inputs respectively consist of binary and continuous time series. We construct a novel…
Discrete rearranging patterns include cellular patterns, for instance liquid foams, biological tissues, grains in polycrystals; assemblies of particles such as beads, granular materials, colloids, molecules, atoms; and interconnected…
This paper studies the problem of parameter estimation in resonant, acoustic fluid-structure interaction problems over a wide frequency range. Problems with multiple resonances are known to be subjected to local minima, which represents a…
Data accesses between on- and off-chip memories account for a large fraction of overall energy consumption during inference with deep learning networks. We present APack, a simple and effective, lossless, off-chip memory compression…
For almost a century, since Bernal\'s attempts at a molecular theory of liquid structure(Bernal [1]), correlation functions have been the bridge to compare theoretical calculations with experimental measurements in the study of disordered…
In this paper, we propose a computational framework for the optimal design of broadband absorbing materials composed of plasmonic nanoparticle arrays. This design problem poses several key challenges: (1) the complex multi-particle…
Computing the equilibrium properties of complex systems, such as free energy differences, is often hampered by rare events in the dynamics. Enhanced sampling methods may be used in order to speed up sampling by, for example, using high…
Refraction at the interface between two materials is fundamental to the interaction of light with photonic devices and to the propagation of light through the atmosphere at large. Underpinning the traditional rules for the refraction of an…
Proposed below is a reversible digital computer modeled after the natural behavior of a quantum system. Using approaches usually reserved for idealized quantum computers, the Reversible CAM, or State Vector Parallel (RSVP) processor can…