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Calibeating Prediction-Powered Inference

van der Laan, Lars, Van Der Laan, Mark

arXiv.org Machine Learning

We study semisupervised mean estimation with a small labeled sample, a large unlabeled sample, and a black-box prediction model whose output may be miscalibrated. A standard approach in this setting is augmented inverse-probability weighting (AIPW) [Robins et al., 1994], which protects against prediction-model misspecification but can be inefficient when the prediction score is poorly aligned with the outcome scale. We introduce Calibrated Prediction-Powered Inference, which post-hoc calibrates the prediction score on the labeled sample before using it for semisupervised estimation. This simple step requires no retraining and can improve the original score both as a predictor of the outcome and as a regression adjustment for semisupervised inference. We study both linear and isotonic calibration. For isotonic calibration, we establish first-order optimality guarantees: isotonic post-processing can improve predictive accuracy and estimator efficiency relative to the original score and simpler post-processing rules, while no further post-processing of the fitted isotonic score yields additional first-order gains. For linear calibration, we show first-order equivalence to PPI++. We also clarify the relationship among existing estimators, showing that the original PPI estimator is a special case of AIPW and can be inefficient when the prediction model is accurate, while PPI++ is AIPW with empirical efficiency maximization [Rubin et al., 2008]. In simulations and real-data experiments, our calibrated estimators often outperform PPI and are competitive with, or outperform, AIPW and PPI++. We provide an accompanying Python package, ppi_aipw, at https://larsvanderlaan.github.io/ppi-aipw/.


Decentralized Machine Learning with Centralized Performance Guarantees via Gibbs Algorithms

Bermudez, Yaiza, Perlaza, Samir, Esnaola, Iñaki

arXiv.org Machine Learning

In this paper, it is shown, for the first time, that centralized performance is achievable in decentralized learning without sharing the local datasets. Specifically, when clients adopt an empirical risk minimization with relative-entropy regularization (ERM-RER) learning framework and a forward-backward communication between clients is established, it suffices to share the locally obtained Gibbs measures to achieve the same performance as that of a centralized ERM-RER with access to all the datasets. The core idea is that the Gibbs measure produced by client~$k$ is used, as reference measure, by client~$k+1$. This effectively establishes a principled way to encode prior information through a reference measure. In particular, achieving centralized performance in the decentralized setting requires a specific scaling of the regularization factors with the local sample sizes. Overall, this result opens the door to novel decentralized learning paradigms that shift the collaboration strategy from sharing data to sharing the local inductive bias via the reference measures over the set of models.


Adversarial Label Invariant Graph Data Augmentations for Out-of-Distribution Generalization

Zhang, Simon, DeMilt, Ryan P., Jin, Kun, Xia, Cathy H.

arXiv.org Machine Learning

Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of distribution shift that occurs only in the input data, while the concept distribution stays invariant. We propose RIA - Regularization for Invariance with Adversarial training, a new method for OoD generalization under convariate shift. Motivated by an analogy to $Q$-learning, it performs an adversarial exploration for counterfactual data environments. These new environments are induced by adversarial label invariant data augmentations that prevent a collapse to an in-distribution trained learner. It works with many existing OoD generalization methods for covariate shift that can be formulated as constrained optimization problems. We develop an alternating gradient descent-ascent algorithm to solve the problem in the context of causally generated graph data, and perform extensive experiments on OoD graph classification for various kinds of synthetic and natural distribution shifts. We demonstrate that our method can achieve high accuracy compared with OoD baselines.


mlr3torch: A Deep Learning Framework in R based on mlr3 and torch

Fischer, Sebastian, Burk, Lukas, Zhang, Carson, Bischl, Bernd, Binder, Martin

arXiv.org Machine Learning

Deep learning (DL) has become a cornerstone of modern machine learning (ML) praxis. We introduce the R package mlr3torch, which is an extensible DL framework for the mlr3 ecosystem. It is built upon the torch package, and simplifies the definition, training, and evaluation of neural networks for both tabular data and generic tensors (e.g., images) for classification and regression. The package implements predefined architectures, and torch models can easily be converted to mlr3 learners. It also allows users to define neural networks as graphs. This representation is based on the graph language defined in mlr3pipelines and allows users to define the entire modeling workflow, including preprocessing, data augmentation, and network architecture, in a single graph. Through its integration into the mlr3 ecosystem, the package allows for convenient resampling, benchmarking, preprocessing, and more. We explain the package's design and features and show how to customize and extend it to new problems. Furthermore, we demonstrate the package's capabilities using three use cases, namely hyperparameter tuning, fine-tuning, and defining architectures for multimodal data. Finally, we present some runtime benchmarks.


Identifiability of Potentially Degenerate Gaussian Mixture Models With Piecewise Affine Mixing

Xu, Danru, Lachapelle, Sébastien, Magliacane, Sara

arXiv.org Machine Learning

Causal representation learning (CRL) aims to identify the underlying latent variables from high-dimensional observations, even when variables are dependent with each other. We study this problem for latent variables that follow a potentially degenerate Gaussian mixture distribution and that are only observed through the transformation via a piecewise affine mixing function. We provide a series of progressively stronger identifiability results for this challenging setting in which the probability density functions are ill-defined because of the potential degeneracy. For identifiability up to permutation and scaling, we leverage a sparsity regularization on the learned representation. Based on our theoretical results, we propose a two-stage method to estimate the latent variables by enforcing sparsity and Gaussianity in the learned representations. Experiments on synthetic and image data highlight our method's effectiveness in recovering the ground-truth latent variables.


A Bayesian Information-Theoretic Approach to Data Attribution

Tailor, Dharmesh, Felicioni, Nicolò, Ciosek, Kamil

arXiv.org Machine Learning

Training Data Attribution (TDA) seeks to trace model predictions back to influential training examples, enhancing interpretability and safety. We formulate TDA as a Bayesian information-theoretic problem: subsets are scored by the information loss they induce - the entropy increase at a query when removed. This criterion credits examples for resolving predictive uncertainty rather than label noise. To scale to modern networks, we approximate information loss using a Gaussian Process surrogate built from tangent features. We show this aligns with classical influence scores for single-example attribution while promoting diversity for subsets. For even larger-scale retrieval, we relax to an information-gain objective and add a variance correction for scalable attribution in vector databases. Experiments show competitive performance on counterfactual sensitivity, ground-truth retrieval and coreset selection, showing that our method scales to modern architectures while bridging principled measures with practice.


Boundary-aware Prototype-driven Adversarial Alignment for Cross-Corpus EEG Emotion Recognition

Li, Guangli, Wu, Canbiao, Tian, Na, Zhang, Li, Liang, Zhen

arXiv.org Machine Learning

Electroencephalography (EEG)-based emotion recognition suffers from severe performance degradation when models are transferred across heterogeneous datasets due to physiological variability, experimental paradigm differences, and device inconsistencies. Existing domain adversarial methods primarily enforce global marginal alignment and often overlook class-conditional mismatch and decision boundary distortion, limiting cross-corpus generalization. In this work, we propose a unified Prototype-driven Adversarial Alignment (PAA) framework for cross-corpus EEG emotion recognition. The framework is progressively instantiated in three configurations: PAA-L, which performs prototype-guided local class-conditional alignment; PAA-C, which further incorporates contrastive semantic regularization to enhance intra-class compactness and inter-class separability; and PAA-M, the full boundary-aware configuration that integrates dual relation-aware classifiers within a three-stage adversarial optimization scheme to explicitly refine controversial samples near decision boundaries. By combining prototype-guided subdomain alignment, contrastive discriminative enhancement, and boundary-aware aggregation within a coherent adversarial architecture, the proposed framework reformulates emotion recognition as a relation-driven representation learning problem, reducing sensitivity to label noise and improving cross-domain stability. Extensive experiments on SEED, SEED-IV, and SEED-V demonstrate state-of-the-art performance under four cross-corpus evaluation protocols, with average improvements of 6.72\%, 5.59\%, 6.69\%, and 4.83\%, respectively. Furthermore, the proposed framework generalizes effectively to clinical depression identification scenarios, validating its robustness in real-world heterogeneous settings. The source code is available at \textit{https://github.com/WuCB-BCI/PAA}


Mixture-Model Preference Learning for Many-Objective Bayesian Optimization

Dubey, Manisha, De Peuter, Sebastiaan, Wang, Wanrong, Kaski, Samuel

arXiv.org Machine Learning

Preference-based many-objective optimization faces two obstacles: an expanding space of trade-offs and heterogeneous, context-dependent human value structures. Towards this, we propose a Bayesian framework that learns a small set of latent preference archetypes rather than assuming a single fixed utility function, modelling them as components of a Dirichlet-process mixture with uncertainty over both archetypes and their weights. To query efficiently, we designing hybrid queries that target information about (i) mode identity and (ii) within-mode trade-offs. Under mild assumptions, we provide a simple regret guarantee for the resulting mixture-aware Bayesian optimization procedure. Empirically, our method outperforms standard baselines on synthetic and real-world many-objective benchmarks, and mixture-aware diagnostics reveal structure that regret alone fails to capture.


Complete Causal Identification from Ancestral Graphs under Selection Bias

Chen, Leihao, Mooij, Joris M.

arXiv.org Machine Learning

Many causal discovery algorithms, including the celebrated FCI algorithm, output a Partial Ancestral Graph (PAG). PAGs serve as an abstract graphical representation of the underlying causal structure, modeled by directed acyclic graphs with latent and selection variables. This paper develops a characterization of the set of extended-type conditional independence relations that are invariant across all causal models represented by a PAG. This theory allows us to formulate a general measure-theoretic version of Pearl's causal calculus and a sound and complete identification algorithm for PAGs under selection bias. Our results also apply when PAGs are learned by certain algorithms that integrate observational data with experimental data and incorporate background knowledge.


A Causal Framework for Evaluating ICU Discharge Strategies

Simha, Sagar Nagaraj, Ortholand, Juliette, Dongelmans, Dave, Workum, Jessica D., Thijssens, Olivier W. M., Abu-Hanna, Ameen, Cinà, Giovanni

arXiv.org Machine Learning

In this applied paper, we address the difficult open problem of when to discharge patients from the Intensive Care Unit. This can be conceived as an optimal stopping scenario with three added challenges: 1) the evaluation of a stopping strategy from observational data is itself a complex causal inference problem, 2) the composite objective is to minimize the length of intervention and maximize the outcome, but the two cannot be collapsed to a single dimension, and 3) the recording of variables stops when the intervention is discontinued. Our contributions are two-fold. First, we generalize the implementation of the g-formula Python package, providing a framework to evaluate stopping strategies for problems with the aforementioned structure, including positivity and coverage checks. Second, with a fully open-source pipeline, we apply this approach to MIMIC-IV, a public ICU dataset, demonstrating the potential for strategies that improve upon current care.