Parameters in climate models are usually calibrated manually, exploiting only small subsets of the available data. This precludes both optimal calibration and quantification of uncertainties. Traditional Bayesian calibration methods that allow uncertainty quantification are too expensive for climate models; they are also not robust in the presence of internal climate variability. For example, Markov chain Monte Carlo (MCMC) methods typically require $O(10^5)$ model runs and are sensitive to internal variability noise, rendering them infeasible for climate models. Here we demonstrate an approach to model calibration and uncertainty quantification that requires only $O(10^2)$ model runs and can accommodate internal climate variability. The approach consists of three stages: (i) a calibration stage uses variants of ensemble Kalman inversion to calibrate a model by minimizing mismatches between model and data statistics; (ii) an emulation stage emulates the parameter-to-data map with Gaussian processes (GP), using the model runs in the calibration stage for training; (iii) a sampling stage approximates the Bayesian posterior distributions by sampling the GP emulator with MCMC. We demonstrate the feasibility and computational efficiency of this calibrate-emulate-sample (CES) approach in a perfect-model setting. Using an idealized general circulation model, we estimate parameters in a simple convection scheme from synthetic data generated with the model. The CES approach generates probability distributions of the parameters that are good approximations of the Bayesian posteriors, at a fraction of the computational cost usually required to obtain them. Sampling from this approximate posterior allows the generation of climate predictions with quantified parametric uncertainties.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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Differential equations in general and neural ODEs in particular are an essential technique in continuous-time system identification. While many deterministic learning algorithms have been designed based on numerical integration via the adjoint method, many downstream tasks such as active learning, exploration in reinforcement learning, robust control, or filtering require accurate estimates of predictive uncertainties. In this work, we propose a novel approach towards estimating epistemically uncertain neural ODEs, avoiding the numerical integration bottleneck. Instead of modeling uncertainty in the ODE parameters, we directly model uncertainties in the state space. Our algorithm - distributional gradient matching (DGM) - jointly trains a smoother and a dynamics model and matches their gradients via minimizing a Wasserstein loss. Our experiments show that, compared to traditional approximate inference methods based on numerical integration, our approach is faster to train, faster at predicting previously unseen trajectories, and in the context of neural ODEs, significantly more accurate.
This work formulates a new approach to reduced modeling of parameterized, time-dependent partial differential equations (PDEs). The method employs Operator Inference, a scientific machine learning framework combining data-driven learning and physics-based modeling. The parametric structure of the governing equations is embedded directly into the reduced-order model, and parameterized reduced-order operators are learned via a data-driven linear regression problem. The result is a reduced-order model that can be solved rapidly to map parameter values to approximate PDE solutions. Such parameterized reduced-order models may be used as physics-based surrogates for uncertainty quantification and inverse problems that require many forward solves of parametric PDEs. Numerical issues such as well-posedness and the need for appropriate regularization in the learning problem are considered, and an algorithm for hyperparameter selection is presented. The method is illustrated for a parametric heat equation and demonstrated for the FitzHugh-Nagumo neuron model.
In this article we propose an inverse analysis algorithm to find the best fit of multiple material parameters in different coupled multi-physics biofilm models. We use a nonlinear continuum mechanical approach to model biofilm deformation that occurs in flow cell experiments. The objective function is based on a simple geometrical measurement of the distance of the fluid biofilm interface between model and experiments. A Levenberg-Marquardt algorithm based on finite difference approximation is used as an optimizer. The proposed method uses a moderate to low amount of model evaluations. For a first presentation and evaluation the algorithm is applied and tested on different numerical examples based on generated numerical results and the addition of Gaussian noise. Achieved numerical results show that the proposed method serves well for different physical effects investigated and numerical approaches chosen for the model. Presented examples show the inverse analysis for multiple parameters in biofilm models including fluid-solid interaction effects, poroelasticity, heterogeneous material properties and growth.
Potts models, which can be used to analyze dependent observations on a lattice, have seen widespread application in a variety of areas, including statistical mechanics, neuroscience, and quantum computing. To address the intractability of Potts likelihoods for large spatial fields, we propose fast ordered conditional approximations that enable rapid inference for observed and hidden Potts models. Our methods can be used to directly obtain samples from the approximate joint distribution of an entire Potts field. The computational complexity of our approximation methods is linear in the number of spatial locations; in addition, some of the necessary computations are naturally parallel. We illustrate the advantages of our approach using simulated data and a satellite image.
The generalized extreme value (GEV) distribution is a popular model for analyzing and forecasting extreme weather data. To increase prediction accuracy, spatial information is often pooled via a latent Gaussian process on the GEV parameters. Inference for such hierarchical GEV models is typically carried out using Markov chain Monte Carlo (MCMC) methods. However, MCMC can be prohibitively slow and computationally intensive when the number of latent variables is moderate to large. In this paper, we develop a fast Bayesian inference method for spatial GEV models based on the Laplace approximation. Through simulation studies, we compare the speed and accuracy of our method to both MCMC and a more sophisticated but less flexible Bayesian approximation. A case study in forecasting extreme wind speeds is presented.
This paper develops a general causal inference method for treatment effects models with noisily measured confounders. The key feature is that a large set of noisy measurements are linked with the underlying latent confounders through an unknown, possibly nonlinear factor structure. The main building block is a local principal subspace approximation procedure that combines $K$-nearest neighbors matching and principal component analysis. Estimators of many causal parameters, including average treatment effects and counterfactual distributions, are constructed based on doubly-robust score functions. Large-sample properties of these estimators are established, which only require relatively mild conditions on the principal subspace approximation. The results are illustrated with an empirical application studying the effect of political connections on stock returns of financial firms, and a Monte Carlo experiment. The main technical and methodological results regarding the general local principal subspace approximation method may be of independent interest.
Deep neural networks can be roughly divided into deterministic neural networks and stochastic neural networks.The former is usually trained to achieve a mapping from input space to output space via maximum likelihood estimation for the weights, which leads to deterministic predictions during testing. In this way, a specific weights set is estimated while ignoring any uncertainty that may occur in the proper weight space. The latter introduces randomness into the framework, either by assuming a prior distribution over model parameters (i.e. Bayesian Neural Networks) or including latent variables (i.e. generative models) to explore the contribution of latent variables for model predictions, leading to stochastic predictions during testing. Different from the former that achieves point estimation, the latter aims to estimate the prediction distribution, making it possible to estimate uncertainty, representing model ignorance about its predictions. We claim that conventional deterministic neural network based dense prediction tasks are prone to overfitting, leading to over-confident predictions, which is undesirable for decision making. In this paper, we investigate stochastic neural networks and uncertainty estimation techniques to achieve both accurate deterministic prediction and reliable uncertainty estimation. Specifically, we work on two types of uncertainty estimations solutions, namely ensemble based methods and generative model based methods, and explain their pros and cons while using them in fully/semi/weakly-supervised framework. Due to the close connection between uncertainty estimation and model calibration, we also introduce how uncertainty estimation can be used for deep model calibration to achieve well-calibrated models, namely dense model calibration. Code and data are available at //github.com/JingZhang617/UncertaintyEstimation.
Synthetic control methods are commonly used to estimate the treatment effect on a single treated unit in panel data settings. A synthetic control (SC) is a weighted average of control units built to match the treated unit's pre-treatment outcome trajectory, with weights typically estimated by regressing pre-treatment outcomes of the treated unit to those of the control units. However, it has been established that such regression estimators can fail to be consistent. In this paper, we introduce a proximal causal inference framework to formalize identification and inference for both the SC weights and the treatment effect on the treated. We show that control units previously perceived as unusable can be repurposed to consistently estimate the SC weights. We also propose to view the difference in the post-treatment outcomes between the treated unit and the SC as a time series, which opens the door to a rich literature on time-series analysis for treatment effect estimation. We further extend the traditional linear model to accommodate general nonlinear models allowing for binary and count outcomes which are understudied in the SC literature. We illustrate our proposed methods with simulation studies and an application to evaluation of the 1990 German Reunification.
We consider the task of learning the parameters of a {\em single} component of a mixture model, for the case when we are given {\em side information} about that component, we call this the "search problem" in mixture models. We would like to solve this with computational and sample complexity lower than solving the overall original problem, where one learns parameters of all components. Our main contributions are the development of a simple but general model for the notion of side information, and a corresponding simple matrix-based algorithm for solving the search problem in this general setting. We then specialize this model and algorithm to four common scenarios: Gaussian mixture models, LDA topic models, subspace clustering, and mixed linear regression. For each one of these we show that if (and only if) the side information is informative, we obtain parameter estimates with greater accuracy, and also improved computation complexity than existing moment based mixture model algorithms (e.g. tensor methods). We also illustrate several natural ways one can obtain such side information, for specific problem instances. Our experiments on real data sets (NY Times, Yelp, BSDS500) further demonstrate the practicality of our algorithms showing significant improvement in runtime and accuracy.
Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.
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