Baden-Württemberg
Overcoming Selection Bias in Statistical Studies With Amortized Bayesian Inference
Arruda, Jonas, Chervet, Sophie, Staudt, Paula, Wieser, Andreas, Hoelscher, Michael, Sermet-Gaudelus, Isabelle, Binder, Nadine, Opatowski, Lulla, Hasenauer, Jan
Selection bias arises when the probability that an observation enters a dataset depends on variables related to the quantities of interest, leading to systematic distortions in estimation and uncertainty quantification. For example, in epidemiological or survey settings, individuals with certain outcomes may be more likely to be included, resulting in biased prevalence estimates with potentially substantial downstream impact. Classical corrections, such as inverse-probability weighting or explicit likelihood-based models of the selection process, rely on tractable likelihoods, which limits their applicability in complex stochastic models with latent dynamics or high-dimensional structure. Simulation-based inference enables Bayesian analysis without tractable likelihoods but typically assumes missingness at random and thus fails when selection depends on unobserved outcomes or covariates. Here, we develop a bias-aware simulation-based inference framework that explicitly incorporates selection into neural posterior estimation. By embedding the selection mechanism directly into the generative simulator, the approach enables amortized Bayesian inference without requiring tractable likelihoods. This recasting of selection bias as part of the simulation process allows us to both obtain debiased estimates and explicitly test for the presence of bias. The framework integrates diagnostics to detect discrepancies between simulated and observed data and to assess posterior calibration. The method recovers well-calibrated posterior distributions across three statistical applications with diverse selection mechanisms, including settings in which likelihood-based approaches yield biased estimates. These results recast the correction of selection bias as a simulation problem and establish simulation-based inference as a practical and testable strategy for parameter estimation under selection bias.
Towards Verified and Targeted Explanations through Formal Methods
Wang, Hanchen David, Lopez, Diego Manzanas, Robinette, Preston K., Oguz, Ipek, Johnson, Taylor T., Ma, Meiyi
As deep neural networks are deployed in safety-critical domains such as autonomous driving and medical diagnosis, stakeholders need explanations that are interpretable but also trustworthy with formal guarantees. Existing XAI methods fall short: heuristic attribution techniques (e.g., LIME, Integrated Gradients) highlight influential features but offer no mathematical guarantees about decision boundaries, while formal methods verify robustness yet remain untargeted, analyzing the nearest boundary regardless of whether it represents a critical risk. In safety-critical systems, not all misclassifications carry equal consequences; confusing a "Stop" sign for a "60 kph" sign is far more dangerous than confusing it with a "No Passing" sign. We introduce ViTaX (Verified and Targeted Explanations), a formal XAI framework that generates targeted semifactual explanations with mathematical guarantees. For a given input (class y) and a user-specified critical alternative (class t), ViTaX: (1) identifies the minimal feature subset most sensitive to the y->t transition, and (2) applies formal reachability analysis to guarantee that perturbing these features by epsilon cannot flip the classification to t. We formalize this through Targeted epsilon-Robustness, certifying whether a feature subset remains robust under perturbation toward a specific target class. ViTaX is the first method to provide formally guaranteed explanations of a model's resilience against user-identified alternatives. Evaluations on MNIST, GTSRB, EMNIST, and TaxiNet demonstrate over 30% fidelity improvement with minimal explanation cardinality.
Bivariate Causal Discovery Using Rate-Distortion MDL: An Information Dimension Approach
Brogueira, Tiago, Figueiredo, Mário A. T.
Approaches to bivariate causal discovery based on the minimum description length (MDL) principle approximate the (uncomputable) Kolmogorov complexity of the models in each causal direction, selecting the one with the lower total complexity. The premise is that nature's mechanisms are simpler in their true causal order. Inherently, the description length (complexity) in each direction includes the description of the cause variable and that of the causal mechanism. In this work, we argue that current state-of-the-art MDL-based methods do not correctly address the problem of estimating the description length of the cause variable, effectively leaving the decision to the description length of the causal mechanism. Based on rate-distortion theory, we propose a new way to measure the description length of the cause, corresponding to the minimum rate required to achieve a distortion level representative of the underlying distribution. This distortion level is deduced using rules from histogram-based density estimation, while the rate is computed using the related concept of information dimension, based on an asymptotic approximation. Combining it with a traditional approach for the causal mechanism, we introduce a new bivariate causal discovery method, termed rate-distortion MDL (RDMDL). We show experimentally that RDMDL achieves competitive performance on the Tübingen dataset. All the code and experiments are publicly available at github.com/tiagobrogueira/Causal-Discovery-In-Exchangeable-Data.
Autoencoder-Based Parameter Estimation for Superposed Multi-Component Damped Sinusoidal Signals
Iida, Momoka, Motohashi, Hayato, Takahashi, Hirotaka
Damped sinusoidal oscillations are widely observed in many physical systems, and their analysis provides access to underlying physical properties. However, parameter estimation becomes difficult when the signal decays rapidly, multiple components are superposed, and observational noise is present. In this study, we develop an autoencoder-based method that uses the latent space to estimate the frequency, phase, decay time, and amplitude of each component in noisy multi-component damped sinusoidal signals. We investigate multi-component cases under Gaussian-distribution training and further examine the effect of the training-data distribution through comparisons between Gaussian and uniform training. The performance is evaluated through waveform reconstruction and parameter-estimation accuracy. We find that the proposed method can estimate the parameters with high accuracy even in challenging setups, such as those involving a subdominant component or nearly opposite-phase components, while remaining reasonably robust when the training distribution is less informative. This demonstrates its potential as a tool for analyzing short-duration, noisy signals.
The Generalised Kernel Covariance Measure
Bergen, Luca, Sejdinovic, Dino, Didelez, Vanessa
We consider the problem of conditional independence (CI) testing and adopt a kernel-based approach. Kernel-based CI tests embed variables in reproducing kernel Hilbert spaces, regress their embeddings on the conditioning variables, and test the resulting residuals for marginal independence. This approach yields tests that are sensitive to a broad range of conditional dependencies. Existing methods, however, rely heavily on kernel ridge regression, which is computationally expensive when properly tuned and yields poorly calibrated tests when left untuned, which limits their practical usefulness. We propose the Generalised Kernel Covariance Measure (GKCM), a regression-model-agnostic kernel-based CI test that accommodates a broad class of regression estimators. Building on the Generalised Hilbertian Covariance Measure framework (Lundborg et al., 2022), we characterise conditions under which GKCM satisfies uniform asymptotic level guarantees. In simulations, GKCM paired with tree-based regression models frequently outperforms state-of-the-art CI tests across a diverse range of data-generating processes, achieving better type I error control and competitive or superior power.
AutoStan: Autonomous Bayesian Model Improvement via Predictive Feedback
We present AutoStan, a framework in which a command-line interface (CLI) coding agent autonomously builds and iteratively improves Bayesian models written in Stan. The agent operates in a loop, writing a Stan model file, executing MCMC sampling, then deciding whether to keep or revert each change based on two complementary feedback signals: the negative log predictive density (NLPD) on held-out data and the sampler's own diagnostics (divergences, R-hat, effective sample size). We evaluate AutoStan on five datasets with diverse modeling structures. On a synthetic regression dataset with outliers, the agent progresses from naive linear regression to a model with Student-t robustness, nonlinear heteroscedastic structure, and an explicit contamination mixture, matching or outperforming TabPFN, a state-of-the-art black-box method, while remaining fully interpretable. Across four additional experiments, the same mechanism discovers hierarchical partial pooling, varying-slope models with correlated random effects, and a Poisson attack/defense model for soccer. No search algorithm, critic module, or domain-specific instructions are needed. This is, to our knowledge, the first demonstration that a CLI coding agent can autonomously write and iteratively improve Stan code for diverse Bayesian modeling problems.
Reflected diffusion models adapt to low-dimensional data
Holk, Asbjørn, Strauch, Claudia, Trottner, Lukas
While the mathematical foundations of score-based generative models are increasingly well understood for unconstrained Euclidean spaces, many practical applications involve data restricted to bounded domains. This paper provides a statistical analysis of reflected diffusion models on the hypercube $[0,1]^D$ for target distributions supported on $d$-dimensional linear subspaces. A primary challenge in this setting is the absence of Gaussian transition kernels, which play a central role in standard theory in $\mathbb{R}^D$. By employing an easily implementable infinite series expansion of the transition densities, we develop analytic tools to bound the score function and its approximation by sparse ReLU networks. For target densities with Sobolev smoothness $α$, we establish a convergence rate in the $1$-Wasserstein distance of order $n^{-\frac{α+1-δ}{2α+d}}$ for arbitrarily small $δ> 0$, demonstrating that the generative algorithm fully adapts to the intrinsic dimension $d$. These results confirm that the presence of reflecting boundaries does not degrade the fundamental statistical efficiency of the diffusion paradigm, matching the almost optimal rates known for unconstrained settings.
Bridging the Gap Between Climate Science and Machine Learning in Climate Model Emulation
Schmidt, Luca, Effenberger, Nina
While climate models provide insights for climate decision-making, their use is constrained by significant computational and technical demands. Although machine learning (ML) emulators offer a way to bypass the high computational costs, their effective use remains challenging. The hurdles are diverse, ranging from limited accessibility and a lack of specialized knowledge to a general mistrust of ML methods that are perceived as insufficiently physical. Here, we introduce a framework to overcome these barriers by integrating both climate science and machine learning perspectives. We find that designing easy-to-adopt emulators that address a clearly defined task and demonstrating their reliability offers a promising path for bridging the gap between our two fields.
Comprehensive Description of Uncertainty in Measurement for Representation and Propagation with Scalable Precision
Darijani, Ali, Beyerer, Jürgen, Nasrollah, Zahra Sadat Hajseyed, Hoffmann, Luisa, Heizmann, Michael
Probability theory has become the predominant framework for quantifying uncertainty across scientific and engineering disciplines, with a particular focus on measurement and control systems. However, the widespread reliance on simple Gaussian assumptions--particularly in control theory, manufacturing, and measurement systems--can result in incomplete representations and multistage lossy approximations of complex phenomena, including inaccurate propagation of uncertainty through multi stage processes. This work proposes a comprehensive yet computationally tractable framework for representing and propagating quantitative attributes arising in measurement systems using Probability Density Functions (PDFs). Recognizing the constraints imposed by finite memory in software systems, we advocate for the use of Gaussian Mixture Models (GMMs), a principled extension of the familiar Gaussian framework, as they are universal approximators of PDFs whose complexity can be tuned to trade off approximation accuracy against memory and computation. From both mathematical and computational perspectives, GMMs enable high performance and, in many cases, closed form solutions of essential operations in control and measurement. The paper presents practical applications within manufacturing and measurement contexts especially circular factory, demonstrating how the GMMs framework supports accurate representation and propagation of measurement uncertainty and offers improved accuracy--compared to the traditional Gaussian framework--while keeping the computations tractable.