We present DiffTaichi, a new differentiable programming language tailored for building high-performance differentiable physical simulators. Based on an imperative programming language, DiffTaichi generates gradients of simulation steps using source code transformations that preserve arithmetic intensity and parallelism…
Moate Simulation improves accuracy and speed of financial derivative pricing.
problem Efficiently pricing financial derivatives with high accuracy.
method Discrete time simulation of probability distributions using Moate Simulation.
result Moate Simulation provides highly accurate distributions for financial derivatives pricing.
New method improves sample-efficiency in neural posterior estimation using simulator gradients.
problem High-fidelity posterior estimation with complex physical simulations is time-consuming.
method Neural Posterior Estimation (NPE) with differentiable simulators and gradient information.
result Improves sample-efficiency in posterior density estimation.
New method tackles rugged optimization landscapes in contact-rich scenarios.
problem Optimization challenges in dynamic environments with deformable objects.
method Combines Bayesian optimization with semi-local 'leaps' for global search.
result Outperforms gradient-based and gradient-free baselines in simulation and real robot experiments.
We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks that can be integrated into these environments without writing any additional c…
Novel deep learning approach for fast, differentiable fluid simulations.
problem Challenges in solving incompressible fluid dynamics equations efficiently.
method Physics-constrained training approach for convolutional neural networks.
result Trained models can handle various fluid phenomena and offer fast simulations.
Complex computer simulators are increasingly used across fields of science as generative models tying parameters of an underlying theory to experimental observations. Inference in this setup is often difficult, as simulators rarely admit a tractable density or likelihood function. We introduce Adversarial Variational O…
Model predicts multi-agent trajectories using a differentiable simulator.
problem Predicting future positions of multiple interacting agents.
method Conditional recurrent variational neural networks (CVRNNs) with a kinematic bicycle model.
result Achieves state-of-the-art results on INTERACTION dataset.
Hybrid model combines neural networks and fluid dynamics for efficient, generalized simulations.
problem Inefficient and poor generalization of deep learning approximations of fluid dynamics.
method Combines graph neural networks with a differentiable PDE solver inside a neural network.
result Hybrid model generalizes well to new scenarios and outperforms both neural network and traditional methods.
ξ-torch simplifies physics-informed learning by providing differentiable functionals.
problem Training physics-informed deep neural networks requires differentiable physical simulations.
method ξ-torch offers a library of differentiable functionals for scientific simulations.
result Improves numerical stability and reduces memory requirements for higher order derivatives.
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is typically simulated with differential equations parameterized by a Hamiltonian,…
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.
Novel compression method preserves privacy while reducing communication costs.
problem Reducing communication costs in differential privacy mechanisms.
method Poisson private representation (PPR) for compressing and simulating local randomizers.
result Achieves compression within a logarithmic gap from theoretical lower bound.
We generalize stochastic smoothing for gradient estimation of non-differentiable functions.
problem Gradient estimation for non-differentiable functions.
method Developed a general framework for relaxation and gradient estimation of non-differentiable black-box functions using stochastic smoothing with reduced assumptions.
result Empirically validated the effectiveness of variance reduction strategies for various non-differentiable tasks.
A new differentiable resampling method for Monte Carlo simulations.
problem Improving the efficiency and differentiability of resampling in Monte Carlo simulations.
method Proposes a diffusion model surrogate for resampling, proving consistency and outperforming existing methods.
result The proposed method outperforms state-of-the-art differentiable resampling methods on various benchmarks.
A new method uses recurrent nets to efficiently estimate SEIR model parameters.
problem Estimating SEIR model parameters is slow and inaccurate with grid search.
method Transform non-differentiable problem to differentiable one using recurrent nets.
result Significantly better parameter estimations with fewer simulations.
Framework for pricing waterfall structures using simulation and uncertainty modeling.
problem Pricing complex structured finance instruments under uncertainty.
method Simulation-based uncertainty modeling, calibrated probability distributions, PyTorch implementation, Adjoint Algorithmic Differentiation (AAD).
result Efficient gradient computation for risk sensitivity analysis and optimization.
We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with intractable likelihoods. Optimization of these forward models is particularly chall…
Differentiable pipeline replaces non-differentiable CAE components for shape optimization.
problem Gradient-based optimization is limited by non-differentiable components in CAE workflows.
method Surrogate models replace non-differentiable pipeline components, enabling gradient-based optimization.
result Gradient-based shape optimization possible without differentiable solvers.
Neural SDEs reduce variance in stochastic simulations.
problem Efficiency of Monte Carlo simulations in finance.
method Use neural SDEs with control variates parameterized by neural networks.
result Prove optimality conditions for variance reduction in SDEs with infinite activity.
New sampling scheme improves ML accuracy in physics simulations.
problem Improving accuracy of ML models in physics simulations.
method Taylor-based data sampling scheme for DNNs.
result Reduces error in DNN solutions of ODE systems.
SDE Matching eliminates simulation for training Latent SDEs, achieving similar performance.
problem Training Latent SDEs with adjoint sensitivity methods is computationally expensive and limited.
method SDE Matching, inspired by Score- and Flow Matching, eliminates simulation for training Latent SDEs.
result SDE Matching achieves performance comparable to adjoint sensitivity methods while reducing computational complexity.
Proposes EDESH-SA for better inventory management under uncertainty.
problem Inventory management under uncertainty.
method Ensemble Differential Evolution with simulation-based hybridization and self-adaptation.
result Improves financial performance and optimizes search spaces.
We propose a lifelong learning architecture, the Neural Computer Agent (NCA), where a Reinforcement Learning agent is paired with a predictive model of the environment learned by a Differentiable Neural Computer (DNC). The agent and DNC model are trained in conjunction iteratively. The agent improves its policy in simu…
We introduce a novel paradigm for learning non-parametric drift and diffusion functions for stochastic differential equation (SDE). The proposed model learns to simulate path distributions that match observations with non-uniform time increments and arbitrary sparseness, which is in contrast with gradient matching that…
Differentiable learning via SGD and GD can simulate various learning problems, depending on precision and minibatch size.
problem Understanding the power of differentiable learning via SGD and GD compared to statistical query (SQ) learning.
method Comparing the learning power of SGD and GD on population and empirical losses with statistical query learning.
result The learning power of SGD and GD depends on the precision of gradient calculations relative to the minibatch size or sample size.
Performing inference over simulators is generally intractable as their runtime means we cannot compute a marginal likelihood. We develop a likelihood-free inference method to infer parameters for a cardiac simulator, which replicates electrical flow through the heart to the body surface. We improve the fit of a state-o…
Quantum machine learning solves high-dimensional PDEs with lower variance and improved accuracy.
problem Approximating solutions to high-dimensional parabolic PDEs.
method Pure Variational Quantum Circuit (VQC) for BSDE approximation, using temporal discretization and Monte Carlo simulation.
result VQC achieves lower variance and improved accuracy in most cases, particularly in highly nonlinear regimes.
Private variable selection method controls FDR with simulations showing reasonable power.
problem Performing variable selection with privacy constraints.
method Private knockoff filter using Gaussian and Laplace mechanisms.
result Achieves controlled false discovery rate (FDR) in variable selection.
NP-ODE models FEA simulations with uncertainty, improving accuracy and efficiency.
problem Limitations of FEA in terms of computational cost and uncertainty quantification.
method Physics-informed neural process aided ordinary differential equations (NP-ODE).
result NP-ODE outperforms benchmark methods in uncertainty quantification and prediction accuracy.
Method generates dense fields from sparse measurements without needing spatial statistics or examples.
problem Generating dense physical fields from sparse measurements.
method Introduces a differentiable numerical simulator into neural network training.
result Superior results on fluid mechanics problems compared to statistical and neural network methods.
We present a taxonomy of research on Machine Learning (ML) applied to enhance simulations together with a catalog of some activities. We cover eight patterns for the link of ML to the simulations or systems plus three algorithmic areas: particle dynamics, agent-based models and partial differential equations. The patte…
Deep learning accelerates Monte Carlo SDE simulations with large time steps.
problem Accurate simulation of SDEs with large time steps.
method Polynomial chaos expansion with neural network learned stochastic collocation points.
result Data-driven scheme achieves strong convergence in Monte Carlo simulations.
SNAPO optimizes policies for complex sequential decisions using differentiable simulation.
problem Optimizing policies for high-dimensional, sequential decisions under uncertainty.
method Embeds neural policy in a differentiable simulator, computes gradients efficiently.
result Produces sensitivities at a cost proportional to one reverse pass, regardless of sensitivity count.
Paper explores how non-neural simulators can enhance DP synthetic data generation.
problem Generating differentially private synthetic data without access to foundation models.
method Private Evolution (PE) framework using inference APIs and simulators.
result Sim-PE framework improves downstream classification accuracy and FID scores.
New neural stack and Turing Machine architectures prove stability and computational power.
problem Designing stable neural network architectures for Turing Machine simulation.
method Introducing neural stack and Turing Machine architectures, proving stability and computational equivalence.
result Differentiable nnTM with bounded neurons can simulate Turing Machine in real-time and is equivalent to UTM.
The paper clarifies the approximation of SGD with Ito SDEs for finite learning rates.
problem Theoretical justification and experimental verification of the Ito SDE approximation for finite learning rates in SGD.
method An efficient simulation algorithm SVAG and a necessary condition test for the SDE approximation.
result The Ito SDE approximation can meaningfully capture training and generalization properties of deep nets with finite learning rates.
Paper presents voxel graph operators for vector data models.
problem Efficient conversion and analysis of geometric models.
method Topological voxelization, graph construction, differential operator derivation.
result Discrete differential and integral operators from voxel complexes.
New method combines Monte Carlo and tensor networks for solving complex equations.
problem Solving high-dimensional partial differential equations efficiently.
method Uses Monte Carlo simulations and tensor train sketching for updates and re-estimations.
result Demonstrates versatility and efficacy in solving specific equations.
AutoSimulate efficiently optimizes synthetic data generation.
problem Optimizing synthetic data generation for machine learning.
method Differentiable approximation of the objective function for efficient optimization.
result Significantly faster (up to 50x) and more efficient (up to 30x) synthetic data generation.
DPConvCNP learns to predict private data accurately and privately.
problem Balancing privacy and accuracy in machine learning models.
method Meta-learning combined with improved DP mechanism.
result DPConvCNP outperforms DP GP baseline, especially on non-Gaussian data.
Paper compares semi-supervised training for differentiable particle filters.
problem Lack of labelled data in real-world applications.
method Compares two semi-supervised training objectives.
result Improved performance in environments with scarce labelled data.
Automates building structural design with reduced mass and carbon footprint.
problem Time-consuming and laborious manual design process for buildings.
method Formulated building structures as graphs, trained end-to-end pipeline with a differentiable simulator.
result Optimal structural designs comparable to GA, with reduced building mass and carbon footprint.
This paper presents a novel approach to numerically solve stochastic differential games for nonlinear systems. The proposed approach relies on the nonlinear Feynman-Kac theorem that establishes a connection between parabolic deterministic partial differential equations and forward-backward stochastic differential equat…
Differentiable methods fail due to spectral issues in Jacobians.
problem Chaos-based failures in differentiable programming.
method Trace failures to the spectrum of Jacobians.
result Criteria for avoiding spectral failure in optimization.
This work leverages recent advances in probabilistic machine learning to discover conservation laws expressed by parametric linear equations. Such equations involve, but are not limited to, ordinary and partial differential, integro-differential, and fractional order operators. Here, Gaussian process priors are modifie…
We propose a finite difference scheme to simulate solutions to a certain type of hyperbolic stochastic partial differential equation (HSPDE). These solutions can in turn estimate so called volatility modulated Volterra (VMV) processes and Lévy semistationary (LSS) processes, which is a class of processes that have been…
This paper proposes a new method to learn integration schemes for complex ODEs.
problem Learning efficient integration schemes for non-linear ODEs and their identification.
method A novel framework to learn integration schemes that minimize an integration-related cost function.
result The proposed learning-based approach provides integration schemes close to analytical solutions.