Related papers: RPYFMM: Parallel Adaptive Fast Multipole Method fo…
Fractional Laplace equations are becoming important tools for mathematical modeling and prediction. Recent years have shown much progress in developing accurate and robust algorithms to numerically solve such problems, yet most solvers for…
Tensor processing is the cornerstone of modern technological advancements, powering critical applications in data analytics and artificial intelligence. While optical computing offers exceptional advantages in bandwidth, parallelism, and…
Current large scale implementations of deep learning and data mining require thousands of processors, massive amounts of off-chip memory, and consume gigajoules of energy. Emerging memory technologies such as nanoscale two-terminal…
Biomolecular electrostatics is key in protein function and the chemical processes affecting it. Implicit-solvent models via the Poisson-Boltzmann (PB) equation provide insights with less computational cost than atomistic models, making…
We have developed a new computer code, RELDAFNA, to solve the conservative equations of special relativistic hydrodynamics (SRHD) using adaptive mesh refinement (AMR) on parallel computers. We have implemented a characteristic-wise, finite…
Among optimal hierarchical algorithms for the computational solution of elliptic problems, the Fast Multipole Method (FMM) stands out for its adaptability to emerging architectures, having high arithmetic intensity, tunable accuracy, and…
Restricted Boltzmann Machine (RBM) is a generative stochastic neural network that can be applied to collaborative filtering technique used by recommendation systems. Prediction accuracy of the RBM model is usually better than that of other…
Random Batch Methods (RBM) for mean-field interacting particle systems enable the reduction of the quadratic computational cost associated with particle interactions to a near-linear cost. The essence of these algorithms lies in the random…
The Restricted Boltzmann Machine (RBM) is a stochastic neural network capable of solving a variety of difficult tasks such as NP-Hard combinatorial optimization problems and integer factorization. The RBM architecture is also very compact;…
Partial differential equation (PDE) solvers are fundamental to engineering simulation. Classical mesh-based approaches (finite difference/volume/element) are fast and accurate on high-quality meshes but struggle with higher-order operators…
NMR is a tool of choice for the measure of diffusion coefficients of species in solution. The DOSY experiment, a 2D implementation of this measure, has proven to be particularly useful for the study of complex mixtures, molecular…
The Random Batch Method (RBM) proposed in [Jin et al. J Comput Phys, 2020] is an efficient algorithm for simulating interacting particle systems (IPS). In this paper, we investigate the Random Batch Method with replacement (RBM-r), which is…
Sparse Matrix-Matrix Multiplication (SpMM) is a fundamental computation in graph analytics, scientific simulation, and sparse deep learning workloads. However, the extreme irregularity of real-world sparse matrices prevents existing…
We present \textsc{dm-PhiSNet}, a physically constrained \textsc{PhiSNet}-based equivariant model that predicts one-electron reduced density matrices (1-RDMs) directly from molecular geometries in an atomic-orbital (AO) basis for…
Recent progress in large-scale flow and diffusion models raised two fundamental algorithmic challenges: (i) control-based reward adaptation of pre-trained flows, and (ii) integration of multiple models, i.e., flow merging. While current…
Binary matrix-vector multiplication (BMVM) is a key operation in post-quantum cryptography schemes like the Classic McEliece cryptosystem. Conventional computing architectures incur significant energy efficiency loss due to data movement of…
The increasing interest in TinyML, i.e., near-sensor machine learning on power budgets of a few tens of mW, is currently pushing toward enabling TinyML-class training as opposed to inference only. Current training algorithms, based on…
Computational Fluid Dynamics (CFD) simulations are essential for analyzing and optimizing fluid flows in a wide range of real-world applications. These simulations involve approximating the solutions of the Navier-Stokes differential…
An adaptive modeling method (AMM) that couples a deep neural network potential and a classical force field is introduced to address the accuracy-efficiency dilemma faced by the molecular simulation community. The AMM simulated system is…
Image fusion aims to integrate complementary information across modalities to generate high-quality fused images, thereby enhancing the performance of high-level vision tasks. While global spatial modeling mechanisms show promising results,…