Smartfluidnet accelerates Eulerian fluid simulation with neural networks.
problem Current neural network methods for Eulerian fluid simulation lack flexibility and generalization.
method Smartfluidnet automates model generation and dynamic switching to meet user requirements.
result Smartfluidnet achieves 1.46x and 590x speedup compared to state-of-the-art models, with better simulation quality.
Surrogate models speed up RL training in dynamic systems.
problem High computational cost of high-fidelity simulations.
method Developed and tested surrogate models for RL training.
result Surrogate models can significantly accelerate RL training.
This paper speeds up simulations of hypersonic reentry by combining traditional and neural methods.
problem Accurately simulating hypersonic reentry with chemical reactions is computationally expensive.
method A hybrid simulation code combining a traditional fluid dynamics solver with a neural network approximating chemical reactions.
result Achieved significant acceleration factors (imes10 to imes18.6) while maintaining accuracy. Computer simulations are invaluable tools for scientific discovery. However, accurate simulations are often slow to execute, which limits their applicability to extensive parameter exploration, large-scale data analysis, and uncertainty quantification. A promising route to accelerate simulations by building fast emulat…
Timewarp accelerates molecular dynamics by learning to simulate long timescales.
problem Efficiently simulating long timescales in molecular dynamics.
method Uses a normalizing flow to learn large time steps in Markov chain Monte Carlo.
result Generalizes to unseen small peptides, accelerating sampling.
Deep neural networks (DNN) are increasingly being accelerated on application-specific hardware such as the Google TPU designed especially for deep learning. Timing speculation is a promising approach to further increase the energy efficiency of DNN accelerators. Architectural exploration for timing speculation requires…
Accelerates pulsar light curve inference with learned representations and optimization.
problem Computational expense of Markov chain Monte Carlo methods for posterior inference.
method Combining U-Net latent representations with local simulator-guided optimization.
result 120x reduction in inference time (24 hours to 12 minutes) with accuracy preserved.
This paper studies accelerations in Q-learning algorithms. We propose an accelerated target update scheme by incorporating the historical iterates of Q functions. The idea is conceptually inspired by the momentum-based accelerated methods in the optimization theory. Conditions under which the proposed accelerated algor…
INP accelerates stochastic simulations using deep Bayesian active learning.
problem Computational expense of stochastic simulations at fine-grained resolution.
method Interactive Neural Process (INP) framework combining spatiotemporal surrogate model and active learning acquisition function.
result STNP outperforms baselines in accelerating stochastic simulations and LIG achieves state-of-the-art for Bayesian active learning.
BoostMD accelerates molecular dynamics simulations by 8x with ML force fields.
problem Long inference times of ML force fields limit practical use in molecular dynamics.
method BoostMD uses previous time-step features to predict energies and forces, reducing complexity and computational cost.
result BoostMD achieves an 8-fold speedup and accurately samples the Boltzmann distribution.
We study learning properties of accelerated gradient descent methods for linear least-squares in Hilbert spaces. We analyze the implicit regularization properties of Nesterov acceleration and a variant of heavy-ball in terms of corresponding learning error bounds. Our results show that acceleration can provides faster …
Neural network factorization speeds up Vlasov equation simulations.
problem Accelerating simulations of collisionless plasma described by the Vlasov equation.
method Data-driven low-rank matrix factorization using convolutional neural networks.
result The method outperforms standard linear algebra at inference time.
We develop a proxy model based on deep learning methods to accelerate the simulations of oil reservoirs--by three orders of magnitude--compared to industry-strength physics-based PDE solvers. This paper describes a new architectural approach to this task, accompanied by a thorough experimental evaluation on a publicly …
Accelerated RPCholesky speeds up kernel matrix approximations.
problem Efficiently approximating large kernel matrices.
method Accelerated randomly pivoted Cholesky (RPCholesky) with block matrix computations and rejection sampling.
result Approximates kernel matrices up to 40 times faster.
We propose accelerated randomized coordinate descent algorithms for stochastic optimization and online learning. Our algorithms have significantly less per-iteration complexity than the known accelerated gradient algorithms. The proposed algorithms for online learning have better regret performance than the known rando…
Approximate Bayesian computation (ABC) methods are used to approximate posterior distributions using simulation rather than likelihood calculations. We introduce Gaussian process (GP) accelerated ABC, which we show can significantly reduce the number of simulations required. As computational resource is usually the mai…
A new ML method speeds up PDE simulations without needing classical training.
problem Accelerating transient PDE simulations using machine learning.
method Online-learned preconditioners using a bandit algorithm.
result One-shot acceleration of PDE simulations.
LA-VDM accelerates VDM using landmarks to improve data analysis.
problem Efficiently analyzing complex datasets with nonuniform sampling densities.
method Landmark-constrained two-stage normalization to accelerate VDM.
result LA-VDM accurately recovers parallel transport and converges to the connection Laplacian.
HF-opt uses Hamiltonian dynamics to optimize functions, achieving accelerated rates with randomized integration time.
problem Optimizing functions efficiently and accelerating convergence rates.
method Randomized Hamiltonian flow (RHF) with accelerated convergence rates.
result RHGD achieves accelerated convergence rates similar to Nesterov's AGD.
RHMC accelerates sampling from log-concave distributions.
problem Sampling from log-concave probability distributions efficiently.
method RHMC uses simulated Hamiltonian dynamics with random integration times.
result RHMC converges exponentially fast in KL divergence for log-concave distributions.
In recent years, Convolutional Neural Network (CNN) based methods have achieved great success in a large number of applications and have been among the most powerful and widely used techniques in computer vision. However, CNN-based methods are computational-intensive and resource-consuming, and thus are hard to be inte…
COCA accelerates N-body simulations by correcting ML errors.
problem Computational expense and limited trustworthiness of ML emulations.
method Hybrid framework combining ML and N-body simulator in an emulated frame of reference. result COCA reduces emulation errors with fewer force evaluations.
Approximate Bayesian Computation (ABC) is a method to obtain a posterior distribution without a likelihood function, using simulations and a set of distance metrics. For that reason, it has recently been gaining popularity as an analysis tool in cosmology and astrophysics. Its drawback, however, is a slow convergence r…
Deep learning predicts fluid flow in porous media, accelerating simulations by orders of magnitude.
problem Accurate simulation of fluid flow in complex porous media requires excessive computational resources.
method Combining deep learning with direct simulation, using Gated U-Net CNNs trained on datasets of 2D and 3D porous media.
result Deep learning predictions can reach over 90% accuracy for permeability estimation and accelerate simulations by orders of magnitude.
We present theoretical results on the convergence of \emph{non-convex} accelerated gradient descent in matrix factorization models with ℓ2-norm loss. The purpose of this work is to study the effects of acceleration in non-convex settings, where provable convergence with acceleration should not be considered a \em…
ASBART accelerates Soft BART for faster Bayesian regression.
problem Slow computation in Soft BART.
method Proposed ASBART, a variant of Soft BART.
result ASBART is about 10 times faster than Soft BART with similar accuracy.
JAX-LOB simulates thousands of LOBs for RL training.
problem Efficient simulation of large LOBs for RL training.
method GPU-accelerated JAX implementation of LOB simulator.
result JAX-LOB processes thousands of LOBs in parallel with reduced processing time.
New MCMC method speeds up quantum physics simulations by a factor of 100.
problem Simulating quantum many-body systems with high computational complexity.
method FFT-accelerated MCMC with coupled particle and auxiliary variables.
result Achieves O(NlogN) scaling, significantly faster than traditional O(N3) methods. New algorithms accelerate SVGD convergence using deep unfolding.
problem Improving the speed of SVGD convergence.
method Integrating deep unfolding into SVGD for parameter learning.
result Proposed algorithms achieve faster convergence in various tasks.
Improved convergence of fixed-point methods using windowed Anderson acceleration.
problem Improving convergence of fixed-point methods for symmetric operators.
method Windowed Anderson acceleration for symmetric fixed-point iterations.
result Windowed Anderson acceleration improves convergence over standard fixed-point methods.
A new beta-VAE based regression model accelerates oilfield optimization studies.
problem Computational expense of full-physics reservoir simulations.
method beta-VAE for interpretable latent space representation, probabilistic dense layers for uncertainty quantification.
result Interpretable latent representation and quantified uncertainty for optimization decisions.
We present VegasFlow, a new software for fast evaluation of high dimensional integrals based on Monte Carlo integration techniques designed for platforms with hardware accelerators. The growing complexity of calculations and simulations in many areas of science have been accompanied by advances in the computational too…
A new algorithm improves convergence rates for convex optimization problems.
problem Convex optimization problems with finite-sum structure.
method Nesterov Accelerated Shuffling Gradient (NASG) integrating Nesterov's acceleration with different shuffling schemes.
result Improved convergence rate of O(1/T) for unified shuffling schemes.
Recently, deep neural networks (DNNs) have shown advantages in accelerating optimization algorithms. One approach is to unfold finite number of iterations of conventional optimization algorithms and to learn parameters in the algorithms. However, these are forward methods and are indeed neither iterative nor convergent…
Deep-PrAE improves rare-event simulation for black-box systems.
problem Evaluating rare safety-critical events in learning-based systems.
method Combines deep neural networks with IS to create statistically guaranteed estimations.
result Deep-PrAE provides accurate bounds on safety-critical event probabilities.
A quantum walk-based method for generating precise probability distributions efficiently.
problem Generating high-precision probability distributions for various applications.
method Integrates variational quantum circuits with split-step quantum walks to dynamically tune coin parameters and evolve quantum states.
result Achieves high simulation fidelity and reduces computational overhead compared to conventional methods.
Macromolecular and biomolecular folding landscapes typically contain high free energy barriers that impede efficient sampling of configurational space by standard molecular dynamics simulation. Biased sampling can artificially drive the simulation along pre-specified collective variables (CVs), but success depends crit…
Framework optimizes cloud container sizing for ML tasks.
problem Challenges in cloud container configuration for ML services.
method Autonomous scaling using nested-loop Monte Carlo simulation.
result Reduces compute cost and accelerates ML algorithms.
Accelerates Bayesian optimization of function networks with partial evaluations.
problem Optimizing expensive-to-evaluate function networks with varying node costs.
method Proposes an accelerated algorithm that uses global Monte Carlo simulations to select node-specific candidate inputs.
result Achieves up to a 16x speedup over the original p-KGFN algorithm while maintaining competitive query efficiency.
While recent developments in autonomous vehicle (AV) technology highlight substantial progress, we lack tools for rigorous and scalable testing. Real-world testing, the de facto evaluation environment, places the public in danger, and, due to the rare nature of accidents, will require billions of miles in or…
E-QRGMM accelerates uncertainty quantification in simulations.
problem Challenges in covariate-dependent uncertainty quantification.
method Integrates cubic Hermite interpolation with gradient estimation.
result Substantially improves computational efficiency and accuracy.
GPU speeds up Monte Carlo simulations for large time steps.
problem Slow convergence and inaccurate solutions with large time steps in Monte Carlo simulations.
method Generalizes the Seven League scheme for GPU acceleration.
result Significantly improved computational speed.
Accelerated gradient method tackles nonconvex penalties in sparse learning.
problem Optimizing nonconvex penalties in sparse statistical learning.
method Generalized Nesterov's accelerated gradient method with hyperparameter optimization.
result Convergence can be made considerably faster with optimal hyperparameters.
Federated learning (FL) provides a communication-efficient approach to solve machine learning problems concerning distributed data, without sending raw data to a central server. However, existing works on FL only utilize first-order gradient descent (GD) and do not consider the preceding iterations to gradient update w…
In this paper, we propose an acceleration scheme for online memory-limited PCA methods. Our scheme converges to the first k>1 eigenvectors in a single data pass. We provide empirical convergence results of our scheme based on the spiked covariance model. Our scheme does not require any predefined parameters such as t…
Fast simulates Volterra processes using RFF, focusing on S-fBM.
problem Efficiently simulate Volterra processes for fractional Brownian motion.
method Random Fourier Features (RFF) approximation of kernel, spectral representation, Hamiltonian Monte Carlo sampling.
result Quantitative guarantees for RFF approximation, competitive in terms of efficiency and error.
KineticSim accelerates financial market simulations 3406x over CPU.
problem Simulating financial markets at scale with multi-agent models is bottlenecked by sequential processing and GPU kernel overhead.
method Formalized and implemented a reusable parallel design pattern for iterative multi-agent reductions in thread-block shared memory.
result Achieved a peak throughput of over 54.7 billion agent-events per second, delivering 3406x speedup over CPU.
FedNAG improves federated learning accuracy and reduces training time.
problem Efficiency of federated learning with gradient descent.
method Nesterov Accelerated Gradient (NAG) applied to federated learning (FL) with additional momentum and model aggregation.
result FedNAG increases learning accuracy by 3-24% and reduces training time by 11-70%.