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The paper describes the coupling of the MercuryDPM discrete element method (DEM) code and the implementation of the kernel-independent fast multipole method (KIFMM). The combined simulation framework allows addressing the large class of…
We introduce Stream-K, a work-centric parallelization of matrix multiplication (GEMM) and related computations in dense linear algebra. Whereas contemporary decompositions are primarily tile-based, our method operates by partitioning an…
Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…
Studying the growth and metabolism of microbes provides critical insights into their evolutionary adaptations to harsh environments, which are essential for microbial research and biotechnology applications. In this study, we developed an…
With the global population increasing and arable land resources becoming increasingly limited, smart and precision agriculture have emerged as essential directions for sustainable agricultural development. Artificial intelligence (AI),…
Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…
This paper introduces Discrete Markov Probabilistic Models (DMPMs), a novel discrete diffusion algorithm for discrete data generation. The algorithm operates in discrete bit space, where the noising process is a continuous-time Markov chain…
As a counterpoint to recent numerical methods for crystal surface evolution, which agree well with microscopic dynamics but suffer from significant stiffness that prevents simulation on fine spatial grids, we develop a new numerical method…
It is known that the solution of a conservative steady-state two-sided fractional diffusion problem can exhibit singularities near the boundaries. As consequence of this, and due to the conservative nature of the problem, we adopt a finite…
We introduce a meshless method for solving both continuous and discrete variational formulations of a volume constrained, nonlocal diffusion problem. We use the discrete solution to approximate the continuous solution. Our method is…
In traditional phase-field modeling of multiphase materials, a significant challenge arises from the non-local nature of fracture energy regularization, where interfacial toughness is inherently coupled with the properties of the…
Knowledge of the underlying mechanisms of multiphase flow dynamics in porous media is crucial for optimizing subsurface engineering applications like geological carbon sequestration. However, studying the micro-mechanisms of multiphase…
We train a generative diffusion model (DM) to simulate ultra-relativistic heavy-ion collisions from end to end. The model takes initial entropy density profiles as input and produces two-dimensional final particle spectra, successfully…
Many engineering systems require accurate simulations of complex physical systems. Yet, analytical solutions are only available for simple problems, necessitating numerical approximations such as the Finite Element Method (FEM). The cost…
In this paper, we present a new immersed finite element scheme for solving elliptic interface problems on unfitted meshes by combining the skeletal finite element method (FEM) with the standard FEM. The skeletal FEM is used for the…
This paper addresses the problem of generating dense point clouds from given sparse point clouds to model the underlying geometric structures of objects/scenes. To tackle this challenging issue, we propose a novel end-to-end learning-based…
A simple and efficient interface-fitted mesh generation algorithm is developed in this paper. This algorithm can produce a local anisotropic fitting mixed mesh which consists of both triangles and quadrilaterals near the interface. A new…
Grasp synthesis is a fundamental task in robotic manipulation which usually has multiple feasible solutions. Multimodal grasp synthesis seeks to generate diverse sets of stable grasps conditioned on object geometry, making the robust…
We conceptualise and numerically simulate a resonant metamaterial interface incorporating non-local, or beyond nearest neighbour, coupling that acts as a discrete angular filter. It can be designed to yield perfect transmission at…
Material properties such as permeability fields in heterogeneous porous media are often represented as discontinuous, piecewise constant data tied to a given spatial discretization. Such representations are inherently mesh-dependent,…