Directed Networks
In-Context Learning Is Provably Bayesian Inference: A Generalization Theory for Meta-Learning
Wakayama, Tomoya, Suzuki, Taiji
This paper develops a finite-sample statistical theory for in-context learning (ICL), analyzed within a meta-learning framework that accommodates mixtures of diverse task types. We introduce a principled risk decomposition that separates the total ICL risk into two orthogonal components: Bayes Gap and Posterior Variance. The Bayes Gap quantifies how well the trained model approximates the Bayes-optimal in-context predictor. For a uniform-attention Transformer, we derive a non-asymptotic upper bound on this gap, which explicitly clarifies the dependence on the number of pretraining prompts and their context length. The Posterior Variance is a model-independent risk representing the intrinsic task uncertainty. Our key finding is that this term is determined solely by the difficulty of the true underlying task, while the uncertainty arising from the task mixture vanishes exponentially fast with only a few in-context examples. Together, these results provide a unified view of ICL: the Transformer selects the optimal meta-algorithm during pretraining and rapidly converges to the optimal algorithm for the true task at test time.
Provable Anytime Ensemble Sampling Algorithms in Nonlinear Contextual Bandits
Sun, Jiazheng, Wang, Weixin, Xu, Pan
We provide a unified algorithmic framework for ensemble sampling in nonlinear contextual bandits and develop corresponding regret bounds for two most common nonlinear contextual bandit settings: Generalized Linear Ensemble Sampling (\texttt{GLM-ES}) for generalized linear bandits and Neural Ensemble Sampling (\texttt{Neural-ES}) for neural contextual bandits. Both methods maintain multiple estimators for the reward model parameters via maximum likelihood estimation on randomly perturbed data. We prove high-probability frequentist regret bounds of $\mathcal{O}(d^{3/2} \sqrt{T} + d^{9/2})$ for \texttt{GLM-ES} and $\mathcal{O}(\widetilde{d} \sqrt{T})$ for \texttt{Neural-ES}, where $d$ is the dimension of feature vectors, $\widetilde{d}$ is the effective dimension of a neural tangent kernel matrix, and $T$ is the number of rounds. These regret bounds match the state-of-the-art results of randomized exploration algorithms in nonlinear contextual bandit settings. In the theoretical analysis, we introduce techniques that address challenges specific to nonlinear models. Practically, we remove fixed-time horizon assumptions by developing anytime versions of our algorithms, suitable when $T$ is unknown. Finally, we empirically evaluate \texttt{GLM-ES}, \texttt{Neural-ES}, and their anytime variants, demonstrating strong performance. Overall, our results establish ensemble sampling as a provable and practical randomized exploration approach for nonlinear contextual bandits.
PAC-Bayesian Reinforcement Learning Trains Generalizable Policies
Zitouni, Abdelkrim, Hennequin, Mehdi, Agoun, Juba, Horache, Ryan, Kabachi, Nadia, Rivasplata, Omar
We derive a novel PAC-Bayesian generalization bound for reinforcement learning that explicitly accounts for Markov dependencies in the data, through the chain's mixing time. This contributes to overcoming challenges in obtaining generalization guarantees for reinforcement learning, where the sequential nature of data breaks the independence assumptions underlying classical bounds. Our bound provides non-vacuous certificates for modern off-policy algorithms like Soft Actor-Critic. We demonstrate the bound's practical utility through PB-SAC, a novel algorithm that optimizes the bound during training to guide exploration. Experiments across continuous control tasks show that our approach provides meaningful confidence certificates while maintaining competitive performance.
Structured Cooperative Multi-Agent Reinforcement Learning: a Bayesian Network Perspective
Syed, Shahbaz P Qadri, Bai, He
The empirical success of multi-agent reinforcement learning (MARL) has motivated the search for more efficient and scalable algorithms for large scale multi-agent systems. However, existing state-of-the-art algorithms do not fully exploit inter-agent coupling information to develop MARL algorithms. In this paper, we propose a systematic approach to leverage structures in the inter-agent couplings for efficient model-free reinforcement learning. We model the cooperative MARL problem via a Bayesian network and characterize the subset of agents, termed as the value dependency set, whose information is required by each agent to estimate its local action value function exactly. Moreover, we propose a partially decentralized training decentralized execution (P-DTDE) paradigm based on the value dependency set. We theoretically establish that the total variance of our P-DTDE policy gradient estimator is less than the centralized training decentralized execution (CTDE) policy gradient estimator. We derive a multi-agent policy gradient theorem based on the P-DTDE scheme and develop a scalable actor-critic algorithm. We demonstrate the efficiency and scalability of the proposed algorithm on multi-warehouse resource allocation and multi-zone temperature control examples. For dense value dependency sets, we propose an approximation scheme based on truncation of the Bayesian network and empirically show that it achieves a faster convergence than the exact value dependence set for applications with a large number of agents.
Myopic Bayesian Decision Theory for Batch Active Learning with Partial Batch Label Sampling
Hu, Kangping, Mussmann, Stephen
Over the past couple of decades, many active learning acquisition functions have been proposed, leaving practitioners with an unclear choice of which to use. Bayesian Decision Theory (BDT) offers a universal principle to guide decision-making. In this work, we derive BDT for (Bayesian) active learning in the myopic framework, where we imagine we only have one more point to label. This derivation leads to effective algorithms such as Expected Error Reduction (EER), Expected Predictive Information Gain (EPIG), and other algorithms that appear in the literature. Furthermore, we show that BAIT (active learning based on V-optimal experimental design) can be derived from BDT and asymptotic approximations. A key challenge of such methods is the difficult scaling to large batch sizes, leading to either computational challenges (BatchBALD) or dramatic performance drops (top-$B$ selection). Here, using a particular formulation of the decision process, we derive Partial Batch Label Sampling (ParBaLS) for the EPIG algorithm. We show experimentally for several datasets that ParBaLS EPIG gives superior performance for a fixed budget and Bayesian Logistic Regression on Neural Embeddings. Our code is available at https://github.com/ADDAPT-ML/ParBaLS.
Interpretable Generative and Discriminative Learning for Multimodal and Incomplete Clinical Data
Belenguer-Llorens, Albert, Sevilla-Salcedo, Carlos, Mourao-Miranda, Janaina, Gómez-Verdejo, Vanessa
Real-world clinical problems are often characterized by multimodal data, usually associated with incomplete views and limited sample sizes in their cohorts, posing significant limitations for machine learning algorithms. In this work, we propose a Bayesian approach designed to efficiently handle these challenges while providing interpretable solutions. Our approach integrates (1) a generative formulation to capture cross-view relationships with a semi-supervised strategy, and (2) a discriminative task-oriented formulation to identify relevant information for specific downstream objectives. This dual generative-discriminative formulation offers both general understanding and task-specific insights; thus, it provides an automatic imputation of the missing views while enabling robust inference across different data sources. The potential of this approach becomes evident when applied to the multimodal clinical data, where our algorithm is able to capture and disentangle the complex interactions among biological, psychological, and sociodemographic modalities.
Efficient Autoregressive Inference for Transformer Probabilistic Models
Hassan, Conor, Loka, Nasrulloh, Li, Cen-You, Huang, Daolang, Chang, Paul E., Yang, Yang, Silvestrin, Francesco, Kaski, Samuel, Acerbi, Luigi
Transformer-based models for amortized probabilistic inference, such as neural processes, prior-fitted networks, and tabular foundation models, excel at single-pass marginal prediction. However, many real-world applications, from signal interpolation to multi-column tabular predictions, require coherent joint distributions that capture dependencies between predictions. While purely autoregressive architectures efficiently generate such distributions, they sacrifice the flexible set-conditioning that makes these models powerful for meta-learning. Conversely, the standard approach to obtain joint distributions from set-based models requires expensive re-encoding of the entire augmented conditioning set at each autoregressive step. We introduce a causal autoregressive buffer that preserves the advantages of both paradigms. Our approach decouples context encoding from updating the conditioning set. The model processes the context once and caches it. A dynamic buffer then captures target dependencies: as targets are incorporated, they enter the buffer and attend to both the cached context and previously buffered targets. This enables efficient batched autoregressive generation and one-pass joint log-likelihood evaluation. A unified training strategy allows seamless integration of set-based and autoregressive modes at minimal additional cost. Across synthetic functions, EEG signals, cognitive models, and tabular data, our method matches predictive accuracy of strong baselines while delivering up to 20 times faster joint sampling. Our approach combines the efficiency of autoregressive generative models with the representational power of set-based conditioning, making joint prediction practical for transformer-based probabilistic models.
A unified Bayesian framework for adversarial robustness
Arce, Pablo G., Naveiro, Roi, Insua, David Ríos
The vulnerability of machine learning models to adversarial attacks remains a critical security challenge. Traditional defenses, such as adversarial training, typically robustify models by minimizing a worst-case loss. However, these deterministic approaches do not account for uncertainty in the adversary's attack. While stochastic defenses placing a probability distribution on the adversary exist, they often lack statistical rigor and fail to make explicit their underlying assumptions. To resolve these issues, we introduce a formal Bayesian framework that models adversarial uncertainty through a stochastic channel, articulating all probabilistic assumptions. This yields two robustification strategies: a proactive defense enacted during training, aligned with adversarial training, and a reactive defense enacted during operations, aligned with adversarial purification. Several previous defenses can be recovered as limiting cases of our model. We empirically validate our methodology, showcasing the benefits of explicitly modeling adversarial uncertainty.
Performance Analysis of Machine Learning Algorithms in Chronic Kidney Disease Prediction
Ahmed, Iftekhar, Chowdhury, Tanzil Ebad, Routh, Biggo Bushon, Tasmiya, Nafisa, Sakib, Shadman, Chowdhury, Adil Ahmed
Kidneys are the filter of the human body. About 10% of the global population is thought to be affected by Chronic Kidney Disease (CKD), which causes kidney function to decline. To protect in danger patients from additional kidney damage, effective risk evaluation of CKD and appropriate CKD monitoring are crucial. Due to quick and precise detection capabilities, Machine Learning models can help practitioners accomplish this goal efficiently; therefore, an enormous number of diagnosis systems and processes in the healthcare sector nowadays are relying on machine learning due to its disease prediction capability. In this study, we designed and suggested disease predictive computer-aided designs for the diagnosis of CKD. The dataset for CKD is attained from the repository of machine learning of UCL, with a few missing values; those are filled in using "mean-mode" and "Random sampling method" strategies. After successfully achieving the missing data, eight ML techniques (Random Forest, SVM, Naive Bayes, Logistic Regression, KNN, XGBoost, Decision Tree, and AdaBoost) were used to establish models, and the performance evaluation comparisons among the result accuracies are measured by the techniques to find the machine learning models with the highest accuracy. Among them, Random Forest as well as Logistic Regression showed an outstanding 99% accuracy, followed by the Ada Boost, XGBoost, Naive Bayes, Decision Tree, and SVM, whereas the KNN classifier model stands last with an accuracy of 73%.
On Uniformly Scaling Flows: A Density-Aligned Approach to Deep One-Class Classification
Zaid, Faried Abu, Katzke, Tim, Müller, Emmanuel, Neider, Daniel
Unsupervised anomaly detection is often framed around two widely studied paradigms. Deep one-class classification, exemplified by Deep SVDD, learns compact latent representations of normality, while density estimators realized by normalizing flows directly model the likelihood of nominal data. In this work, we show that uniformly scaling flows (USFs), normalizing flows with a constant Jacobian determinant, precisely connect these approaches. Specifically, we prove how training a USF via maximum-likelihood reduces to a Deep SVDD objective with a unique regularization that inherently prevents representational collapse. This theoretical bridge implies that USFs inherit both the density faithfulness of flows and the distance-based reasoning of one-class methods. We further demonstrate that USFs induce a tighter alignment between negative log-likelihood and latent norm than either Deep SVDD or non-USFs, and how recent hybrid approaches combining one-class objectives with VAEs can be naturally extended to USFs. Consequently, we advocate using USFs as a drop-in replacement for non-USFs in modern anomaly detection architectures. Empirically, this substitution yields consistent performance gains and substantially improved training stability across multiple benchmarks and model backbones for both image-level and pixel-level detection. These results unify two major anomaly detection paradigms, advancing both theoretical understanding and practical performance.