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The increasing availability of GPUs for scientific computing has prompted interest in accelerating quantum chemical calculations through their use. The complexity of integral kernels for high angular momentum basis functions however often…
With the widespread use of self-consistent field methods, including Hartree-Fock and Density Functional Theory, the implications of accelerating these methods are immense. To this end, we develop a tensor hypercontraction construction with…
Multimodal medical analysis combining image and tabular data has gained increasing attention. However, effective fusion remains challenging due to cross-modal discrepancies in feature dimensions and modality contributions, as well as the…
In computer vision, the estimation of the fundamental matrix is a basic problem that has been extensively studied. The accuracy of the estimation imposes a significant influence on subsequent tasks such as the camera trajectory…
In this paper, we propose a mixed-precision convolution unit architecture which supports different integer and floating point (FP) precisions. The proposed architecture is based on low-bit inner product units and realizes higher precision…
The Fast Tracker (FTK) is a proposed upgrade to the ATLAS trigger system that will operate at full Level-1 output rates and provide high quality tracks reconstructed over the entire detector by the start of processing in Level-2. FTK solves…
Fuzzy C-Means (FCM) is a widely used clustering method. However, FCM and its many accelerated variants have low efficiency in the mid-to-late stage of the clustering process. In this stage, all samples are involved in the update of their…
Dense image prediction tasks demand features with strong category information and precise spatial boundary details at high resolution. To achieve this, modern hierarchical models often utilize feature fusion, directly adding upsampled…
The recent progress on global optimizations of covariant energy density functionals (CEDFs) and global calculations of binding energies within the covariant density functional theory (CDFT) has been analyzed and reviewed. Recently developed…
Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often…
Large scale-free graphs are famously difficult to process efficiently: the skewed vertex degree distribution makes it difficult to obtain balanced partitioning. Our research instead aims to turn this into an advantage by partitioning the…
Context. A novel high-performance exact pair counting toolkit called Fast Correlation Function Calculator (FCFC) is presented, which is publicly available at https://github.com/cheng-zhao/FCFC. Aims. As the rapid growth of modern…
Point cloud analytics is poised to become a key workload on battery-powered embedded and mobile platforms in a wide range of emerging application domains, such as autonomous driving, robotics, and augmented reality, where efficiency is…
We present efficient algorithms to build data structures and the lists needed for fast multipole methods. The algorithms are capable of being efficiently implemented on both serial, data parallel GPU and on distributed architectures. With…
High-throughput DFT calculations are key to screening existing/novel materials, sampling potential energy surfaces, and generating quantum mechanical data for machine learning. By including a fraction of exact exchange (EXX), hybrid…
A system-on-chip (SoC) photonic-electronic linear-algebra accelerator with the features of wavelength-division-multiplexing (WDM) based broadband photodetections and high-dimensional matrix-inversion operations fabricated in advanced…
The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basis of our implementation is a GNU-GPL code based on…
The generic vector memory based accelerator is considered which supports DIT and DIF FFT with fixed datapath. The regular mixed-radix factorization of the DFT matrix coherent with the accelerator architecture is proposed and the correction…
We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation…
Mixed-integer convex programming (MICP) has seen significant algorithmic and hardware improvements with several orders of magnitude solve time speedups compared to 25 years ago. Despite these advances, MICP has been rarely applied to…