Robust DNN Surrogate Models with Uncertainty Quantification via
Adversarial Training
- URL: http://arxiv.org/abs/2211.09954v1
- Date: Thu, 10 Nov 2022 05:09:39 GMT
- Title: Robust DNN Surrogate Models with Uncertainty Quantification via
Adversarial Training
- Authors: Lixiang Zhang, Jia Li
- Abstract summary: surrogate models have been used to emulate mathematical simulators for physical or biological processes.
Deep Neural Network (DNN) surrogate models have gained popularity for their hard-to-match emulation accuracy.
In this paper, we show the severity of this issue through empirical studies and hypothesis testing.
- Score: 17.981250443856897
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: For computational efficiency, surrogate models have been used to emulate
mathematical simulators for physical or biological processes. High-speed
simulation is crucial for conducting uncertainty quantification (UQ) when the
simulation is repeated over many randomly sampled input points (aka, the Monte
Carlo method). In some cases, UQ is only feasible with a surrogate model.
Recently, Deep Neural Network (DNN) surrogate models have gained popularity for
their hard-to-match emulation accuracy. However, it is well-known that DNN is
prone to errors when input data are perturbed in particular ways, the very
motivation for adversarial training. In the usage scenario of surrogate models,
the concern is less of a deliberate attack but more of the high sensitivity of
the DNN's accuracy to input directions, an issue largely ignored by researchers
using emulation models. In this paper, we show the severity of this issue
through empirical studies and hypothesis testing. Furthermore, we adopt methods
in adversarial training to enhance the robustness of DNN surrogate models.
Experiments demonstrate that our approaches significantly improve the
robustness of the surrogate models without compromising emulation accuracy.
Related papers
- Uncertainty-aware Surrogate Models for Airfoil Flow Simulations with Denoising Diffusion Probabilistic Models [26.178192913986344]
We make a first attempt to use denoising diffusion probabilistic models (DDPMs) to train an uncertainty-aware surrogate model for turbulence simulations.
Our results show DDPMs can successfully capture the whole distribution of solutions and, as a consequence, accurately estimate the uncertainty of the simulations.
We also evaluate an emerging generative modeling variant, flow matching, in comparison to regular diffusion models.
arXiv Detail & Related papers (2023-12-08T19:04:17Z) - Learning Sample Difficulty from Pre-trained Models for Reliable
Prediction [55.77136037458667]
We propose to utilize large-scale pre-trained models to guide downstream model training with sample difficulty-aware entropy regularization.
We simultaneously improve accuracy and uncertainty calibration across challenging benchmarks.
arXiv Detail & Related papers (2023-04-20T07:29:23Z) - Robust Neural Posterior Estimation and Statistical Model Criticism [1.5749416770494706]
We argue that modellers must treat simulators as idealistic representations of the true data generating process.
In this work we revisit neural posterior estimation (NPE), a class of algorithms that enable black-box parameter inference in simulation models.
We find that the presence of misspecification, in contrast, leads to unreliable inference when NPE is used naively.
arXiv Detail & Related papers (2022-10-12T20:06:55Z) - Efficient Learning of Accurate Surrogates for Simulations of Complex Systems [0.0]
We introduce an online learning method empowered by sampling-driven sampling.
It ensures that all turning points on the model response surface are included in the training data.
We apply our method to simulations of nuclear matter to demonstrate that highly accurate surrogates can be reliably auto-generated.
arXiv Detail & Related papers (2022-07-11T20:51:11Z) - Multi-fidelity Hierarchical Neural Processes [79.0284780825048]
Multi-fidelity surrogate modeling reduces the computational cost by fusing different simulation outputs.
We propose Multi-fidelity Hierarchical Neural Processes (MF-HNP), a unified neural latent variable model for multi-fidelity surrogate modeling.
We evaluate MF-HNP on epidemiology and climate modeling tasks, achieving competitive performance in terms of accuracy and uncertainty estimation.
arXiv Detail & Related papers (2022-06-10T04:54:13Z) - Uncertainty quantification of two-phase flow in porous media via
coupled-TgNN surrogate model [6.705438773768439]
Uncertainty quantification (UQ) of subsurface two-phase flow usually requires numerous executions of forward simulations under varying conditions.
In this work, a novel coupled theory-guided neural network (TgNN) based surrogate model is built to facilitate efficiency under the premise of satisfactory accuracy.
arXiv Detail & Related papers (2022-05-28T02:33:46Z) - Learning continuous models for continuous physics [94.42705784823997]
We develop a test based on numerical analysis theory to validate machine learning models for science and engineering applications.
Our results illustrate how principled numerical analysis methods can be coupled with existing ML training/testing methodologies to validate models for science and engineering applications.
arXiv Detail & Related papers (2022-02-17T07:56:46Z) - Generalization of Neural Combinatorial Solvers Through the Lens of
Adversarial Robustness [68.97830259849086]
Most datasets only capture a simpler subproblem and likely suffer from spurious features.
We study adversarial robustness - a local generalization property - to reveal hard, model-specific instances and spurious features.
Unlike in other applications, where perturbation models are designed around subjective notions of imperceptibility, our perturbation models are efficient and sound.
Surprisingly, with such perturbations, a sufficiently expressive neural solver does not suffer from the limitations of the accuracy-robustness trade-off common in supervised learning.
arXiv Detail & Related papers (2021-10-21T07:28:11Z) - MEMO: Test Time Robustness via Adaptation and Augmentation [131.28104376280197]
We study the problem of test time robustification, i.e., using the test input to improve model robustness.
Recent prior works have proposed methods for test time adaptation, however, they each introduce additional assumptions.
We propose a simple approach that can be used in any test setting where the model is probabilistic and adaptable.
arXiv Detail & Related papers (2021-10-18T17:55:11Z) - ALT-MAS: A Data-Efficient Framework for Active Testing of Machine
Learning Algorithms [58.684954492439424]
We propose a novel framework to efficiently test a machine learning model using only a small amount of labeled test data.
The idea is to estimate the metrics of interest for a model-under-test using Bayesian neural network (BNN)
arXiv Detail & Related papers (2021-04-11T12:14:04Z) - Using Bayesian deep learning approaches for uncertainty-aware building
energy surrogate models [0.0]
Machine learning surrogate models are trained to emulate slow, high-fidelity engineering simulation models.
Deep learning models exist that follow the Bayesian paradigm.
We show that errors can be reduced by up to 30% when the 10% of samples with the highest uncertainty are transferred to the high-fidelity model.
arXiv Detail & Related papers (2020-10-05T15:04:18Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.