相关论文: Molecular Energy Learning Using Alternative Blackb…

Programming a robot manipulator should be as intuitive as possible. To achieve that, the paradigm of teaching motion skills by providing few demonstrations has become widely popular in recent years. Probabilistic versions thereof take into…

The widespread adoption of complex machine learning models in high-stakes domains has brought the "black-box" problem to the forefront of responsible AI research. This paper aims at addressing this issue by improving the Explainable…

GEneral Matrix Multiply (GEMM) is a central operation in deep learning and corresponds to the largest chunk of the compute footprint. Therefore, improving its efficiency is an active topic of ongoing research. A popular strategy is the use…

We present a maximum likelihood (ML) algorithm that is fast enough to detect gamma-ray transients in real time on low-performance processors often used for space applications. We validate the routine with simulations and find that, relative…

Transformer models have emerged as the leading approach for achieving state-of-the-art performance across various application domains, serving as the foundation for advanced large-scale deep learning (DL) models. However, efficiently…

We explore the performance of a statistical learning technique based on Gaussian Process (GP) regression as an efficient non-parametric method for constructing multi-dimensional potential energy surfaces (PES) for polyatomic molecules.…

In this letter, we present a novel Gaussian Process Learning-based Probabilistic Optimal Power Flow (GP-POPF) for solving POPF under renewable and load uncertainties of arbitrary distribution. The proposed method relies on a non-parametric…

The Extreme Learning Machine (ELM) is a single-hidden layer feedforward neural network (SLFN) learning algorithm that can learn effectively and quickly. The ELM training phase assigns the input weights and bias randomly and does not change…

Many science and engineering problems rely on expensive computational simulations, where a multi-fidelity approach can accelerate the exploration of a parameter space. We study efficient allocation of a simulation budget using a Gaussian…

We propose a new approach to combine Restricted Boltzmann Machines (RBMs) that can be used to solve combinatorial optimization problems. This allows synthesis of larger models from smaller RBMs that have been pretrained, thus effectively…

We introduce a simple and scalable method for training Gaussian process (GP) models that exploits cross-validation and nearest neighbor truncation. To accommodate binary and multi-class classification we leverage P\`olya-Gamma auxiliary…

Quantum circuit mapping is a critical process in quantum computing that involves adapting logical quantum circuits to adhere to hardware constraints, thereby generating physically executable quantum circuits. Current quantum circuit mapping…

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some…

Low energy barrier magnet (LBM) technology has recently been proposed as a candidate for accelerating algorithms based on energy minimization and probabilistic graphs because their physical characteristics have a one-to-one mapping onto the…

Experimental multi-parameter optimization can enhance the interfacing of cold atoms with waveguides and cavities. Recent implementations of machine learning (ML) algorithms demonstrate the optimization of complex cold atom ex perimental…

Methodologies for training machine learning potentials (MLPs) to quantum-mechanical simulation data have recently seen tremendous progress. Experimental data has a very different character than simulated data, and most MLP training…

Gaussian processes allow for flexible specification of prior assumptions of unknown dynamics in state space models. We present a procedure for efficient Bayesian learning in Gaussian process state space models, where the representation is…

Future advancement of engineering applications is dependent on design of novel materials with desired properties. Enormous size of known chemical space necessitates use of automated high throughput screening to search the desired material.…

The generalization accuracy of machine learning models of potential energy surfaces (PES) and force fields (FF) for large polyatomic molecules can be generally improved either by increasing the number of training points or by improving the…

To speed up Gaussian process inference, a number of fast kernel matrix-vector multiplication (MVM) approximation algorithms have been proposed over the years. In this paper, we establish an exact fast kernel MVM algorithm based on exact…