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We present a technique for applying (forward and) reverse-mode automatic differentiation (AD) on a non-recursive second-order functional array language that supports nested parallelism and is primarily aimed at efficient GPU execution. The…
The emergence of foundational models and generative artificial intelligence (GenAI) is poised to transform productivity in scientific computing, especially in code development, refactoring, and translating from one programming language to…
With the growth of machine learning algorithms with geometry primitives, a high-efficiency library with differentiable geometric operators are desired. We present an optimized Differentiable Geometry Algorithm Library (DGAL) loaded with…
Gradient-based methods are well-suited for derivative-free optimization (DFO), where finite-difference (FD) estimates are commonly used as gradient surrogates. Traditional stochastic approximation methods, such as Kiefer-Wolfowitz (KW) and…
Computational Fluid Dynamics (CFD) is used in the design and optimization of gas turbines and many other industrial/ scientific applications. However, the practical use is often limited by the high computational cost, and the accurate…
We show how the basic Combinatory Homomorphic Automatic Differentiation (CHAD) algorithm can be optimised, using well-known methods, to yield a simple, composable, and generally applicable reverse-mode automatic differentiation (AD)…
This paper reviews the adaptive sparse grid discontinuous Galerkin (aSG-DG) method for computing high dimensional partial differential equations (PDEs) and its software implementation. The C\texttt{++} software package called AdaM-DG,…
Branching processes are a class of continuous-time Markov chains (CTMCs) prevalent for modeling stochastic population dynamics in ecology, biology, epidemiology, and many other fields. The transient or finite-time behavior of these systems…
The saddle point (SP) calculation is a grand challenge for computationally intensive energy function in computational chemistry area, where the saddle point may represent the transition state (TS). The traditional methods need to evaluate…
Recently, autoregressive (AR) image models have demonstrated remarkable generative capabilities, positioning themselves as a compelling alternative to diffusion models. However, their sequential nature leads to long inference times,…
We introduce OpenRAND, a C++17 library aimed at facilitating reproducible scientific research through the generation of statistically robust and yet replicable random numbers. OpenRAND accommodates single and multi-threaded applications on…
Variational Quantum Circuits (VQCs), or the so-called quantum neural-networks, are predicted to be one of the most important near-term quantum applications, not only because of their similar promises as classical neural-networks, but also…
We present semantic correctness proofs of automatic differentiation (AD). We consider a forward-mode AD method on a higher-order language with algebraic data types and we characterise it as the unique structure-preserving macro given a…
Robust federated learning aims to maintain reliable performance despite the presence of adversarial or misbehaving workers. While state-of-the-art (SOTA) robust distributed gradient descent (Robust-DGD) methods were proven theoretically…
Adaptive Computation (AC) has been shown to be effective in improving the efficiency of Open-Domain Question Answering (ODQA) systems. However, current AC approaches require tuning of all model parameters, and training state-of-the-art ODQA…
Automatic differentiation---the mechanical transformation of numeric computer programs to calculate derivatives efficiently and accurately---dates to the origin of the computer age. Reverse mode automatic differentiation both antedates and…
In multi-task learning (MTL), gradient conflict poses a significant challenge. Effective methods for addressing this problem, including PCGrad, CAGrad, and GradNorm, in their original implementations are computationally demanding, which…
Stochastic gradient descent (SGD) is a widely adopted iterative method for optimizing differentiable objective functions. In this paper, we propose and discuss a novel approach to scale up SGD in applications involving non-convex functions…
Lax-Wendroff methods combined with discontinuous Galerkin/flux reconstruction spatial discretization provide a high-order, single-stage, quadrature-free method for solving hyperbolic conservation laws. In this work, we introduce automatic…
Distributed gradient descent (DGD) is an efficient way of implementing gradient descent (GD), especially for large data sets, by dividing the computation tasks into smaller subtasks and assigning to different computing servers (CSs) to be…