Uncertainty
Learning Conditional Average Treatment Effects in Regression Discontinuity Designs using Bayesian Additive Regression Trees
Alcantara, Rafael, Hahn, P. Richard, Carvalho, Carlos, Lopes, Hedibert
Such designs arise when treatment assignment is based on whether a particular covariate -- referred to as the running variable -- lies above or below a known value, referred to as the cutoff value. Because treatment is deterministically assigned as a known function of the running variable, RDDs are trivially deconfounded: treatment assignment is independent of the outcome variable, given the running variable (because treatment is conditionally constant). However, estimation of treatment effects in RDDs is more complicated than simply controlling for the running variable, because doing so introduces a complete lack of overlap, which is the other key condition needed to justify regression adjustment for causal inference. Nonetheless, treatment effects at the cutoff may still be identified. Specifically, it is well-known that treatment effects at the cutoff can be estimated from RDDs as the magnitude of a discontinuity in the conditional mean response function at that point (Hahn et al., 2001). This paper investigates the use of Bayesian additive regression tree models (Chipman et al., 2010; Hahn et al., 2020) for the purpose of estimating conditional average treatments effects (CATE) at the cutoff, conditional on observed covariates other than the running variable. To the best of our knowledge, such data-driven CATE estimation has not been a focus of the existing RDD literature and we are the first to propose BART for this purpose.
An interpretation of the Brownian bridge as a physics-informed prior for the Poisson equation
Alberts, Alex, Bilionis, Ilias
Physics-informed machine learning is one of the most commonly used methods for fusing physical knowledge in the form of partial differential equations with experimental data. The idea is to construct a loss function where the physical laws take the place of a regularizer and minimize it to reconstruct the underlying physical fields and any missing parameters. However, there is a noticeable lack of a direct connection between physics-informed loss functions and an overarching Bayesian framework. In this work, we demonstrate that Brownian bridge Gaussian processes can be viewed as a softly-enforced physics-constrained prior for the Poisson equation. We first show equivalence between the variational form of the physics-informed loss function for the Poisson equation and a kernel ridge regression objective. Then, through the connection between Gaussian process regression and kernel methods, we identify a Gaussian process for which the posterior mean function and physics-informed loss function minimizer agree. This connection allows us to probe different theoretical questions, such as convergence and behavior of inverse problems. We also connect the method to the important problem of identifying model-form error in applications.
Clustering Context in Off-Policy Evaluation
Guzman-Olivares, Daniel, Schmidt, Philipp, Golebiowski, Jacek, Bekasov, Artur
Off-policy evaluation can leverage logged data to estimate the effectiveness of new policies in e-commerce, search engines, media streaming services, or automatic diagnostic tools in healthcare. However, the performance of baseline off-policy estimators like IPS deteriorates when the logging policy significantly differs from the evaluation policy. Recent work proposes sharing information across similar actions to mitigate this problem. In this work, we propose an alternative estimator that shares information across similar contexts using clustering. We study the theoretical properties of the proposed estimator, characterizing its bias and variance under different conditions. We also compare the performance of the proposed estimator and existing approaches in various synthetic problems, as well as a real-world recommendation dataset. Our experimental results confirm that clustering contexts improves estimation accuracy, especially in deficient information settings.
Rare event modeling with self-regularized normalizing flows: what can we learn from a single failure?
Dawson, Charles, Tran, Van, Li, Max Z., Fan, Chuchu
Increased deployment of autonomous systems in fields like transportation and robotics have seen a corresponding increase in safety-critical failures. These failures can be difficult to model and debug due to the relative lack of data: compared to tens of thousands of examples from normal operations, we may have only seconds of data leading up to the failure. This scarcity makes it challenging to train generative models of rare failure events, as existing methods risk either overfitting to noise in the limited failure dataset or underfitting due to an overly strong prior. We address this challenge with CalNF, or calibrated normalizing flows, a self-regularized framework for posterior learning from limited data. CalNF achieves state-of-the-art performance on data-limited failure modeling and inverse problems and enables a first-of-a-kind case study into the root causes of the 2022 Southwest Airlines scheduling crisis.
Post-Hoc Uncertainty Quantification in Pre-Trained Neural Networks via Activation-Level Gaussian Processes
Bergna, Richard, Depeweg, Stefan, Ordonez, Sergio Calvo, Plenk, Jonathan, Cartea, Alvaro, Hernandez-Lobato, Jose Miguel
Uncertainty quantification in neural networks through methods such as Dropout, Bayesian neural networks and Laplace approximations is either prone to underfitting or computationally demanding, rendering these approaches impractical for large-scale datasets. In this work, we address these shortcomings by shifting the focus from uncertainty in the weight space to uncertainty at the activation level, via Gaussian processes. More specifically, we introduce the Gaussian Process Activation function (GAPA) to capture neuron-level uncertainties. Our approach operates in a post-hoc manner, preserving the original mean predictions of the pre-trained neural network and thereby avoiding the underfitting issues commonly encountered in previous methods. We propose two methods. The first, GAPA-Free, employs empirical kernel learning from the training data for the hyperparameters and is highly efficient during training. The second, GAPA-Variational, learns the hyperparameters via gradient descent on the kernels, thus affording greater flexibility. Empirical results demonstrate that GAPA-Variational outperforms the Laplace approximation on most datasets in at least one of the uncertainty quantification metrics.
Amortized Conditional Independence Testing
Duong, Bao, Hoang, Nu, Nguyen, Thin
Testing for the conditional independence structure in data is a fundamental and critical task in statistics and machine learning, which finds natural applications in causal discovery-a highly relevant problem to many scientific disciplines. Existing methods seek to design explicit test statistics that quantify the degree of conditional dependence, which is highly challenging yet cannot capture nor utilize prior knowledge in a data-driven manner. In this study, an entirely new approach is introduced, where we instead propose to amortize conditional independence testing and devise ACID ( Amortized C onditional In D ependence test)- a novel transformer-based neural network architecture that learns to test for conditional independence . ACID can be trained on synthetic data in a supervised learning fashion, and the learned model can then be applied to any dataset of similar natures or adapted to new domains by fine-tuning with a negligible computational cost. Our extensive empirical evaluations on both synthetic and real data reveal that ACID consistently achieves state-of-the-art performance against existing baselines under multiple metrics, and is able to generalize robustly to unseen sample sizes, dimensionalities, as well as non-linearities with a remarkably low inference time.
Forecasting intermittent time series with Gaussian Processes and Tweedie likelihood
Damato, Stefano, Azzimonti, Dario, Corani, Giorgio
We introduce the use of Gaussian Processes (GPs) for the probabilistic forecasting of intermittent time series. The model is trained in a Bayesian framework that accounts for the uncertainty about the latent function and marginalizes it out when making predictions. We couple the latent GP variable with two types of forecast distributions: the negative binomial (NegBinGP) and the Tweedie distribution (TweedieGP). While the negative binomial has already been used in forecasting intermittent time series, this is the first time in which a fully parameterized Tweedie density is used for intermittent time series. We properly evaluate the Tweedie density, which is both zero-inflated and heavy tailed, avoiding simplifying assumptions made in existing models. We test our models on thousands of intermittent count time series. Results show that our models provide consistently better probabilistic forecasts than the competitors. In particular, TweedieGP obtains the best estimates of the highest quantiles, thus showing that it is more flexible than NegBinGP.
On Benchmarking Human-Like Intelligence in Machines
Ying, Lance, Collins, Katherine M., Wong, Lionel, Sucholutsky, Ilia, Liu, Ryan, Weller, Adrian, Shu, Tianmin, Griffiths, Thomas L., Tenenbaum, Joshua B.
Recent benchmark studies have claimed that AI has approached or even surpassed human-level performances on various cognitive tasks. However, this position paper argues that current AI evaluation paradigms are insufficient for assessing human-like cognitive capabilities. We identify a set of key shortcomings: a lack of human-validated labels, inadequate representation of human response variability and uncertainty, and reliance on simplified and ecologically-invalid tasks. We support our claims by conducting a human evaluation study on ten existing AI benchmarks, suggesting significant biases and flaws in task and label designs. To address these limitations, we propose five concrete recommendations for developing future benchmarks that will enable more rigorous and meaningful evaluations of human-like cognitive capacities in AI with various implications for such AI applications.
R-ParVI: Particle-based variational inference through lens of rewards
A reward-guided, gradient-free ParVI method, \textit{R-ParVI}, is proposed for sampling partially known densities (e.g. up to a constant). R-ParVI formulates the sampling problem as particle flow driven by rewards: particles are drawn from a prior distribution, navigate through parameter space with movements determined by a reward mechanism blending assessments from the target density, with the steady state particle configuration approximating the target geometry. Particle-environment interactions are simulated by stochastic perturbations and the reward mechanism, which drive particles towards high density regions while maintaining diversity (e.g. preventing from collapsing into clusters). R-ParVI offers fast, flexible, scalable and stochastic sampling and inference for a class of probabilistic models such as those encountered in Bayesian inference and generative modelling.
Constrained Generative Modeling with Manually Bridged Diffusion Models
Naderiparizi, Saeid, Liang, Xiaoxuan, Zwartsenberg, Berend, Wood, Frank
In this paper we describe a novel framework for diffusion-based generative modeling on constrained spaces. In particular, we introduce manual bridges, a framework that expands the kinds of constraints that can be practically used to form so-called diffusion bridges. We develop a mechanism for combining multiple such constraints so that the resulting multiply-constrained model remains a manual bridge that respects all constraints. We also develop a mechanism for training a diffusion model that respects such multiple constraints while also adapting it to match a data distribution. We develop and extend theory demonstrating the mathematical validity of our mechanisms. Additionally, we demonstrate our mechanism in constrained generative modeling tasks, highlighting a particular high-value application in modeling trajectory initializations for path planning and control in autonomous vehicles.