Bayesian

SWITi is a test-time method for reducing artifacts in tiled predictions, particularly for neural networks that learn posterior distributions from which solutions are sampled at inference time. Tiled predictions are unavoidable for large image data, and artifacts arise whenever tiles are smaller than a network's receptive field and when tiles are independent posterior samples. SWITi averages overlapping sliding-window predictions, so discrepancies between neighboring samples are spread across shifted tile positions rather than accumulating at fixed seam coordinates. For posterior models, SWITi uses no more tile samples than an MMSE estimate requires and therefore incurs no additional forward passes. Additionally, we introduce two reference-free metrics, the Fraction of Rejected Tests (FRT) and Artifact Severity (ASV), for detecting and quantifying tiling artifacts from a per-tile permutation test that compares the distribution of pixel gradients across tile seams against the surrounding image content. On pre-trained and published image splitting models across three fluorescence microscopy datasets in 2D and 3D, we show that SWITi substantially attenuates stitching seams while also improving reconstruction fidelity and resolution. Since tiling artifacts in posterior predictions can easily be mistaken for biological structures or for boundaries between biological structures, removing or reducing them using SWITi will improve the downstream processing of large image predictions, which is particularly relevant for biomedical data.

In the \emph{latent posterior model} of transformer behavior, the next-token distribution arises from a posterior over latent predictive models conditioned on the context, mixed to generate continuations. We exploit this model in settings where it is exact, namely Bayes-filtered transformers (BFTs) meta-learned on sequences from a hierarchical prior, to introduce \textbf{Posterior Prefix Tuning (PPT)}, a new method for \emph{eliciting} behavior from a transformer: given a utility function on continuations, find a prompt under which the transformer generates continuations of high expected utility. For a BFT, the elicitation objective factors through the latent posterior, and the gradient of this objective can be estimated from samples of the prior alone. PPT optimizes the parameters of a distribution over hard prompts: it draws prior samples once from the BFT via predictive Monte Carlo (PMC), then estimates the gradient by importance sampling against them. The optimization performs no transformer forward passes and no backpropagation through the transformer, and the prior samples are utility-independent, so a single set of samples drives elicitation against any number of utilities at negligible marginal cost. We validate PPT on Beta--Bernoulli and reinforced urn BFTs across three utility families (reverse cross-entropy, frequency matching, Dyck validity).

Magnetic resonance imaging comes in various modality contrasts that provide complementary anatomical and pathological information. Complete multimodal acquisitions are often unavailable due to time and protocol constraints. This leads to real-world datasets with missing modalities, where conventional medical image translation methods are typically limited to fixed source-target settings or require retraining for each observed source-target pair. We propose a unified framework that formulates missing-modality generation as a linear inverse problem under a joint distribution and solves it via posterior sampling with a flow matching model. By learning a joint prior over the complete modality set, our method can reconstruct arbitrary missing modalities at inference time by guiding the sampling trajectory to enforce measurement consistency with observed modalities. We further mitigate inter-modality error propagation in multi-target generation by adopting a many-to-one sampling strategy. Experiments on BraTS and IXI datasets show that our method achieves the best performance over baselines across most missing-modality scenarios. In downstream tumor segmentation, synthesized images from our method result in higher segmentation performance, indicating better preservation of clinically relevant structures.

Overparameterized models often have continuous parameter symmetries, so different parameters define the same predictor. We show that PAC--Bayesian analysis should be performed on the quotient predictor space: pushing a prior and posterior to the quotient preserves the empirical and population Gibbs risks while removing the nonnegative KL contribution caused solely by how the two distributions differ among parameterizations of the same predictor. Quotienting alone does not determine which prior to use. We construct a canonical choice of one parameterization for each predictor and account for the geometric volume of its equivalent parameterizations. This transforms a neutral reference prior into a data-independent prior that reflects the model's implicit bias. It approximates the ideal but inadmissible posterior-matched prior, which would minimize the KL term by depending on the training data. The resulting certificate is tighter exactly when this geometry-induced prior has smaller KL divergence from the learned quotient posterior than the neutral prior. We test this prediction in Fourier regression with a Hadamard parameterization and in Query-Key attention, using ordinary SGD without an explicit regularizer. The implicit-bias prior reduces the mean quotient-space KL by $40.69\%$ and the mean PAC--Bayes certificate by $21.40\%$ in the Fourier-Hadamard experiment. The smaller, prior-scale-dependent improvement in Query-Key attention confirms the predicted conditional nature of the effect.

The soft-label Bayes-error estimator beta(z) = E[min(z, 1-z)] of Ishida et al. estimates the irreducible error of a binary task directly from probability-valued labels. Recent work by Ushio et al. showed that this estimator is fragile when the probabilities are not the true posterior: even perfectly calibrated soft labels can yield a substantially inaccurate estimate, and they propose isotonic calibration as a consistent remedy. We complement that line of work by characterizing exactly how the most widely used post-hoc calibration map -- temperature scaling -- distorts the proxy. We prove an exact, model-free identity reducing the temperature-scaled proxy to the classifier's margin distribution, from which we obtain (i) strict monotonicity in the temperature and (ii) a continuous bijection from the temperature axis onto the open interval (0, 1/2), so that a fixed classifier -- with fixed decisions and fixed 0-1 error -- can be made to report any proxy value whatsoever. Under a Gaussian model of the logits we further derive a two-parameter closed form for the entire proxy-versus-temperature curve. Across CIFAR-10, Fashion-MNIST, and SVHN (eight binary tasks), the proxy varies by 56x to 980x at constant test error, the closed form reproduces the empirical curve to within 0.018, and the calibration temperature that minimizes the expected calibration error does not coincide with any stable proxy value. Our results give a precise, predictive account of the distortion whose existence motivates calibration-based remedies, and they reinforce the practical recommendation that a proxy value is meaningful only together with the mechanism that produced its probabilities.

Bayesian inference provides a principled foundation for reasoning under uncertainty, but its computational cost hinders deployment on resource-constrained edge devices. In this paper, we present a hardware-oriented methodology for accelerating discrete Bayesian inference on commercial off-the-shelf embedded GPUs. We identify that the latency of a broad class of variational message-passing algorithms is dominated by tensor contractions. Our approach restructures the memory layout of these operations using two complementary merging strategies that produce compact, regularly-shaped primitives better suited for efficient GPU execution. We then introduce optional sparse array representations and a tensor-clustering scheme to reduce the memory footprint. We instantiate the methodology and produce optimized variants of three message-passing algorithms for Hidden Markov Models (HMMs), namely variational filtering, variational message passing, and marginal message passing. Furthermore, we complement this with a machine-learning-based autotuner that automatically selects the best-performing algorithmic variant for a given generative model specification. Benchmarked on an NVIDIA Jetson Orin AGX across 770 randomly sampled realistic Partially Observable Markov Decision Process (POMDP) configurations, our implementations achieve speedups of up to 5x, with typical gains of 2-2.5x, while producing numerically identical outputs to the baseline implementations.

Neural simulation-based inference enables parameter estimation for complex models, but typically requires the user to specify a simulator encoding a fixed model structure. We present a framework for joint model selection and parameter estimation that combines large language models for program synthesis with neural simulation-based inference. Given a natural language description of the system and data under investigation, an LLM proposes candidate simulator programs which are iteratively refined via feedback-driven mutation and evaluated using neural density estimation. The approach enables simulation-based inference over a pool of models, not just parameters within a fixed model. On benchmarks spanning deterministic dynamics, stochastic epidemic models, and dark matter substructure inference from gravitational-lensing images, the method identifies plausible model families from open-ended prompts, with accuracy that reflects the information content of the data and identifiability of candidate models.

As generative artificial intelligence enters scientific and professional work, its uncertainty must be defined on the states that matter for inference and decision-making. Language models assign probabilities to words, whereas applications require uncertainty over meaningful states such as diagnoses, hypotheses or operational conditions. We introduce a \emph{semantic map}: a prespecified, testable bridge from probabilities over verbal responses to a posterior over declared finite states. The language distribution remains unrestricted; held-out calibration connects it to a reference posterior. We derive posterior-error bounds and conditions for existence, conditional uniqueness, presentation stability and stable inverse recovery. This distinction matters because language probabilities depend on prompt wording, while the target posterior should not change under information-equivalent rewording. Experiments use professional market text compiled from Federal Reserve economic and financial series, together with controlled simulations having exact posteriors. Across two fitted language models, language-derived probabilities outperform printed numerical confidence, recover held-out posteriors with valid uncertainty coverage, remain largely stable under paraphrase and respond appropriately to altered evidence. \textbf{Prompt engineering optimises a wording-dependent response; robust scientific use requires validated stability of application-relevant meaning.} The proposed map turns semantic uncertainty in generative systems into an identifiable and testable statistical measurement problem and, when its acceptance conditions hold, yields an auditable posterior estimate.

A Bayes-filtered transformer (BFT) is a transformer trained on sequences that are generated in two steps: first a latent task is drawn from a prior, then observations are drawn conditional on that task. Trained under autoregressive log loss, the BFT's next-token prediction, in the idealized limit, is the Bayesian posterior predictive distribution (PPD) induced by that prior and that conditional law. In practice the trained BFT is only an approximation of this ideal PPD, raising an interpretive question: what prior and posterior over the latent task has the trained BFT actually internalized? Existing work answers this question by comparing the trained BFT's predictions against the predictions of various "reference" posteriors, each standing in for a different candidate algorithm or computation the BFT might be implementing. This prediction-space comparison is fragile: different posteriors can share the same posterior-mean predictions. We use predictive Monte Carlo (PMC) as a general interpretability tool for any BFT: using only next-token generation, PMC returns an approximation to the implicit prior and posterior over the latent task, answering the interpretive question directly in latent space. We apply PMC to three stylized task families spanning 0-Markov and 1-Markov exchangeability. The phenomena previously reported in these settings remain visible in latent space. Code is available at https://github.com/afiq-aswadi/bft-pmc

We introduce Deep Adaptive Bayesian Screening (DABS), a method for performing adaptive factorial screening in high-dimensional discrete design spaces. DABS learns a policy network offline to sequentially select informative experiments, amortizing Bayesian Optimal Experimental Design. It handles binary designs, incorporates sparsity and interactions via a spike-and-slab prior with strong heredity. The model is trained using a contrastive lower bound on information about factor activity with nuisance effect sizes and noise variance analytically integrated out. Unlike prior amortized Bayesian design approaches, DABS also integrates Gibbs posterior inference at deployment, yielding posterior probabilities of factor activity and credible intervals on effect sizes. We demonstrate DABS on screening problems calibrated to real-world benchmarks and show it achieves superior accuracy and scalability over classical and Bayesian baselines under tight experimental budgets.

Attention collapse in autoregressive language models -- manifested as repetitive token loops where the model becomes trapped in self-reinforcing attractors -- is a persistent pathology that existing decoding-time heuristics fail to address at its root cause. We present a principled framework that penalises or compensates anomalous confidence arising from collapsed generation patterns, by comparing a token's observed frequency against its corpus prior through an adjacent-conditional probability construction. The resulting self-normalising penalty ratio $R=f(m,n,p)/f(np,n,p)$ requires no ad hoc standardisation and admits a closed-form logit offset with zero approximation error. The correction is isolated from the loss gradient and accumulated into a frozen output-layer bias via exponential moving average, enabling deployment as a repair mechanism for models that have already collapsed without requiring intrusive modifications to standard training pipelines. Experimental validation on a 1.5B-parameter model demonstrates that the frozen-bias mechanism can rescue a model already trapped in a collapsed attractor, reducing 2-gram repetition from 0.073 to near 0 while preserving generation quality.

Contact-rich manipulation requires pose estimates that are often more accurate than what depth-only sensing provides. Existing methods, relying on vision and contact, employ costly offline training procedures that need to be retrained for new environments and geometries. We propose BayesContact, a Simulation-Based Inference framework for visuo-tactile pose estimation in peg-in-hole insertion. BayesContact maintains a particle belief over object pose and fuses depth observations with force/torque-derived contact evidence. We employ simulation based forward models to approximate these observation likelihoods. For each pose hypothesis, a renderer predicts depth measurements and a physics simulator predicts contact outcomes under guarded probing actions; both are scored against real observations to update the belief. The resulting multimodal belief also enables information-gain-based probing for active disambiguation. Across simulated geometries and real-robot experiments, BayesContact improves pose observability and insertion success over vision-only inference by 30%

Prompt optimization adapts large language models (LLMs) without updating model parameters, but many automatic prompt optimizers remain heuristic search procedures over candidate instructions. This paper studies prompt optimization as Bayesian posterior sampling over discrete prompt tokens. We define a posterior distribution by combining a task likelihood term, which rewards prompts that explain input-output examples, with a language-model prior, which favors fluent instructions. This converts prompt optimization into an energy-based posterior sampling problem, for which gradients can be used to guide discrete Markov chain Monte Carlo (MCMC) proposals over vocabulary tokens. We refer to our framework as BayesPO, short for Bayesian Prompt Optimization. In this paper, BayesPO is instantiated with Markov chain Monte Carlo: it uses a Metropolis-Hastings corrected Gibbs-with-Langevin (GwL) proposal and integrates parallel tempering for global exploration of rugged LLM-induced energy landscapes. The concrete sampler further adapts the GwL sampler to the practical constraints of non-weight-tied LLM embeddings. Experiments with Qwen2.5 models show that the sampler discovers semantically meaningful prompts on diagnostic tasks, that parallel tempering helps escape a local optimum in a poetry completion task, and that post-optimizing APE prompts on 24 instruction-induction subtasks improves average accuracy from 60.04% to 63.23%. The study also reveals two main limitations: energy minimization may overfit small optimization sets, and the current sampler remains computationally expensive. These findings position Bayesian prompt sampling as a principled post-optimization tool and point to a promising direction for probabilistic prompt optimization.

Calibration of grey-box simulation models is a constrained optimization problem in which model evaluations are expensive, the parameter space can be high-dimensional, and the search must respect plausibility constraints. Although the simulation code is fully available to the analyst, the joint effect of multiple parameters remains difficult to predict analytically. Classical optimizers such as Nelder--Mead (NM) are simple to deploy but sample-inefficient, particularly under constraints. Modern Bayesian Optimization methods achieve competitive solutions with far fewer evaluations but require non-trivial modeling machinery for constraint handling. We introduce an agentic calibration method in which a large language model acts as the optimizer, with constraints incorporated as a plain-language section of the system prompt. We evaluate the agentic method, NM, and Bayesian Optimization (BO) on an anal cancer simulation model under both unconstrained and clinically constrained calibration. Under unconstrained calibration, the agentic method achieves substantially lower best error than BO and NM, while requiring fewer model evaluations. Under constrained calibration, the agentic method reaches comparable error levels and both outperform NM. These results are obtained at the cost of increased inference time per iteration. Agentic calibration achieves competitive performance with substantially fewer model evaluations, and constraint handling is essentially free at the modeller-facing interface through simple textual specifications rather than additional modelling machinery. The main trade-off lies in increased per-iteration inference cost, making the approach particularly suitable when simulation time dominates. Beyond performance, the per-iteration rationale makes the search auditable and explainable, so its decisions can be scrutinised and justified to third parties.

Logic and optimization can, in combination, make valuable contributions to rule-based AI. Logic is the obvious medium for encoding a rule base and drawing inferences from it, while optimization provides a powerful technology for computing inferences. Their combination has taken on new relevance amid a growing concern for transparency in AI. which is important for reproducibility, explainability, trustworthiness, and fairness. Rule-based AI provides a natural solution to transparency that is becoming increasingly practical due to today's highly advanced optimization methods. This article surveys several areas of logic-optimization partnership, including probabilistic logic, Bayesian logic, belief logics and Dempster-Shafer theory, nonmonotonic (default) logic, many-valued logics, and inference of logical formulas from noisy data based on Boolean regression. It shows how to compute projections, the fundamental problem of both logic and optimization, using decision diagrams and logic-based Benders decomposition. It describes the use of postoptimality analysis to explain how conclusions are reached, further enhancing transparency, as well as the role of optimization in answer set programming modulo theories. The paper concludes by suggesting possible future research directions.

Black-box models limit the adoption of artificial intelligence in medicine because their predictions are difficult to interpret and reproduce. We present a statistically grounded framework for interpretable, rule-based clinical classification using the Bernoulli Naïve Bayes (BNB) model. Supervised chi-square-guided binarization converts continuous variables into binary indicators by selecting thresholds that maximize association with the clinical outcome within the training folds, which allows BNB to operate on continuous medical data without sacrificing transparency. On three benchmark datasets, Pima Indians Diabetes, Wisconsin Breast Cancer, and Heart Failure Prediction, the framework reached areas under the receiver operating characteristic curve of 0.800, 0.984, and 0.919, respectively. Probabilistic reliability was assessed with a leakage-safe cross-validated calibration analysis reporting Brier score and calibration intercept and slope, and post-hoc beta calibration improved probability calibration across datasets. These results indicate that an interpretable, statistically motivated framework can perform comparably to more complex models while providing explicit decision rules expressed in clinical units and calibrated risk estimates. A complete worked example further shows that model inference can be reproduced from a printed reference table using only basic arithmetic, without software or proprietary tools, supporting trustworthy and auditable use of artificial intelligence in clinical settings.

Current evaluation of epistemic uncertainty relies on tasks such as out-ofdistribution detection and active learning. However, the Bayes-optimal decision strategies for these tasks do not coincide with the scores commonly used to quantify epistemic uncertainty. Building on the epistemic reject-option framework, we evaluate epistemic uncertainty using its ability to identify regret, the reducible error. Formulating selective prediction as a constrained optimization over coverage, expected risk, and regret, we prove the optimal selector is a thresholded convex combination of the ground-truth aleatoric and epistemic uncertainties. This theoretical unification exposes a weakness in recent uncertainty disentanglement literature: we demonstrate that standard correlation metrics between learned components do not necessarily predict their actual operational utility. We instead propose to evaluate the achievable risk, regret, coverage surface of the decomposition as a diagnostic for joint disentanglement and utility. Benchmarking standard methods on datasets with dense human annotations reveals that decision-theoretic rankings can disagree substantially with proxy-task rankings, including pairwise rank inversions between methods that are top-ranked on one criterion and bottom-ranked on other.

Many signal processing systems ultimately exist to {act}. Whenever the state variable that determines the action to be taken by a decision maker, or agent, is uncertain, the way that uncertainty is represented decides how well the agent performs and how much its performance can be trusted. This lecture note develops, from first principles and within a single decision-theoretic setting, the link between the {objective} and the knowledge of an agent and the form of uncertainty representation that is sufficient to act optimally. To start, assuming a known environment distribution, we show that a risk-neutral agent needs the posterior distribution over the state, whereas a risk-averse agent can rely without loss of optimality on a {prediction set} and a worst-case decision rule. We then turn to the case in which the environment is unknown, and identify three complementary approaches to address the resulting epistemic uncertainty: calibration of a fixed predictor, credal (ambiguity) sets with distributionally robust optimization, and Bayesian inference over model parameters. The common thread is that reliable decisions require an uncertainty representation matched to the decision objective and to the knowledge profile of the agent, together with a guarantee that certifies the utility the agent will actually obtain.

Longitudinal tumor measurements, dropout information, and genetic covariates provide complementary information about treatment response, but integrating these data sources within a single population modeling framework remains challenging. We extend the empirical Bayes variational autoencoder (EB-VAE) framework to joint longitudinal and time-to-event modeling and evaluate it on tumor growth data. The framework represents inter-individual variability using latent individual effects regularized by a covariate-conditioned empirical Bayes prior, while a decoder maps these latent effects to tumor-volume trajectories. To account for informative dropout, the decoder was augmented with a hazard model, yielding joint predictions of tumor growth and time to dropout. We further compared fully neural and hybrid semi-mechanistic decoder formulations and incorporated genomic covariates through a genetics-conditioned prior adaptation. The hybrid decoder recovered treatment-effect parameters broadly consistent with previously reported nonlinear mixed-effects estimates, while achieving prior predictive performance comparable to the neural decoder. The joint model reproduced both tumor-volume distributions and dropout patterns in held-out individuals, and genetic conditioning improved individual-level prior predictions in both cutaneous melanoma and breast cancer experiments. Stability selection identified several biologically plausible genetic indicators, including alterations in BRAF, NRAS, NF1, and MDM2. These results demonstrate that EB-VAE provides a flexible probabilistic framework for combining neural dynamics, mechanistic structure, time-to-event modeling, and high-dimensional covariates in pharmacometric applications.

Serial verification gates are a core reliability primitive in LLM harnesses: a candidate answer is returned only if $k$ verifier calls all accept it. Under conditionally independent gates, the recent Odds Law (arXiv:2606.15712) shows that posterior log-odds grow linearly in $k$, so failure decays exponentially, and states that "a tight theory of partially correlated verifier cascades remains open." This note gives a minimal such theory. Modeling the per-instance false-accept rate on the generator's own errors as a latent variable $α\sim G$ (de Finetti), the exact cascade posterior is $\ell_k = \ell_0 - \ln m_k$, with $m_k$ the $k$-th moment of $G$. Then: (i) $\ell_k$ is concave in $k$ for every non-degenerate $G$ -- the Odds Law is its tangent at the first gate and an upper bound; (ii) for Beta$(a,b)$ latents, failure decays polynomially, $1-r_k \asymp k^{-b}$, with correlation parameter $ρ_v = 1/(a+b+1)$; (iii) a blind-spot atom of mass $1-π$ at $α=1$ caps the evidence extractable from any number of gates at $-\ln(1-π)$ nats, so reliability saturates below 1; (iv) letting the true-accept rate also vary ($β\sim H$) yields a trichotomy -- gates eventually always help, plateau, or actively harm -- decided by the upper-tail exponents of $G$ and $H$, with closed-form crossover $k^\dagger$. The mechanism is survivorship: errors surviving gates are the high-$α$ ones. The theory is measurable: $R$ repeated verdicts per instance identify the first $R$ moments of $G$, so two verdicts identify $ρ_v$; beta-binomial likelihood and NPMLE recover the reliability curve and the ill-posed ceiling. In synthetic tests, independence-based extrapolation underestimates failure by 20x at $k=5$ and ~3000x at $k=10$; the correlated fit at $R=8$ tracks held-out depths. The practical lever is decorrelation -- changing model family, modality, or evidence source -- not adding gates.

Radiative Gaussian splatting reconstructs sparse-view CT fast and accurately, and recent work attaches per-Gaussian posteriors to yield per-voxel uncertainty maps. We ask what such a map actually measures: posterior variance is a data-constraint map, not an error map -- its alarms are trustworthy, its all-clears are not. Exploiting the strict linearity of X-ray rendering in the per-Gaussian densities, we derive a clamp-aware closed form that the unchanged rasterizer evaluates exactly in one forward pass, in volume and projection space: the infinite-sample limit of the sampling estimator of concurrent work, at ~8x lower cost. On the official 15-scene benchmark this uncertainty ranks true error on 14 of 15 scenes. Restricted to the object interior -- the tissue a clinician reads -- the ranking collapses (median Spearman 0.11, 0/15 pass), identically for a deep ensemble and for a strictly positive log-normal posterior: three constructions, two estimator families, no survivors. The mechanism is structural: about 90% of in-object error is bias that reproduces across retrainings, invisible to model disagreement; 73-81% of the full-volume correlation is carried by object/surround contrast; and an exactly solvable control puts the observed in-object ranking 4-5x below what a perfectly calibrated posterior with the same sigma-spread would score. The error scale, by contrast, is an engineering problem, and we solve it: reparameterizing the posterior contracts the cross-scene temperature spread from 19.3x to 2.6x, one scene-agnostic temperature transfers to unseen scenes (10/15 leave-one-scene-out), and the repaired scale tracks photon count at the Poisson-predicted -1/2 power. We distill evaluation practice that would have caught the illusion -- masked calibration, seed-wise bias decomposition, an exact-posterior reference -- and release all protocols, seeds and per-run evidence.

Maneuvering target tracking in three-dimensional space remains a challenging problem due to complex motion dynamics and model mismatch. To address this, this paper proposes a hybrid model/data-driven algorithm named IMMNet, which integrates the interpretable structure of the interacting multiple model (IMM) algorithm with learnable neural components. Unlike end-to-end black-box methods, the proposed IMMNet algorithm not only can preserve the Bayesian inference mechanism that is essential for real-time radar applications, but also can adaptively learn motion patterns and noise characteristics from data. Extensive experiments demonstrate that the proposed IMMNet algorithm consistently outperforms the existing algorithms across various scenarios, validating it as a robust, interpretable, and practical solution for maneuvering target tracking.

On-the-fly category discovery requires deciding for each incoming test sample whether to assign it to an existing category or spawn a new one. Existing methods typically implement this decision through matching-based heuristics, such as radius- or hash-based rules. While effective in practice, these methods usually treat category birth implicitly as a fallback when no existing category matches confidently, rather than as an explicit alternative supported by its own statistical evidence. To address this, we propose DP-BOA, a posterior-predictive decision framework based on an online Dirichlet-process Gaussian mixture model with a Normal-Inverse-Wishart prior. During training, we use labeled data to calibrate a shared NIW prior over category Gaussians and warm-start the known-category posteriors. At test time, for each incoming sample, DP-BOA compares the posterior predictive evidence for assignment to existing categories against the evidence for spawning a new category induced by the DP prior, and then updates category statistics online after the decision. The method captures anisotropic category geometry and naturally adapts decision confidence as evidence accumulates. Across standard OCD benchmarks, DP-BOA consistently outperforms strong baselines and delivers particularly strong novel-class discovery performance while maintaining competitive known-class accuracy.

Tabular foundation models (TFMs) generate predictions on structured data via in-context learning, without task-specific estimation. We ask whether TFMs can be effectively applied to discrete choice, a central demand estimation framework in marketing and operations, and find that directly applying TFMs yields limited performance. The gap is structural: TFMs assume row-independent observations, whereas discrete choice is inherently set-valued and subject to persistent consumer preference heterogeneity. We propose a reformulation that encodes both choice-set dependence and individual heterogeneity within a row-based learning framework. Evaluated on a yogurt scanner panel, individual-level heterogeneity encoding is the dominant driver of predictive accuracy. The best reformulation outperforms hierarchical Bayesian estimation by 8% in holdout log-likelihood and 3.6% in hit rate, running 16 times faster, a practical advantage for large-scale demand estimation. The advantage is largest in the medium-data regime (10--40 purchase occasions per consumer), where parametric Bayesian shrinkage most distorts estimates for atypical consumers. Fine-tuning on population choice data provides additional gains for consumers with shallow purchase histories, where in-context learning has limited individual-specific signal to condition on. These results establish a principled approach for applying foundation models to consumer choice problems more broadly.

Sensor-rich data-driven applications increasingly use Bayesian approaches to infer latent states of dynamic systems from noisy sensor measurements and physical models. Yet the computation of the likelihood remains an essential bottleneck for accurate posteriors and performant inference. This paper presents a Bayesian filtering technique that uses processor-native uncertainty tracking for both uncertainty propagation and inference. The technique implements deterministic hierarchical importance restructuring through a native operation, giving deterministic latency and bounded memory use for arbitrary models written as program code. Benchmarks across three nonlinear state-space systems compare the approach against particle filters and Monte-Carlo-based likelihood estimators. The technique enables deterministic approximate filtering with as high as 805$\times$ average speedup against direct Monte Carlo work at matched result quality for model evaluation, and Pareto-dominant accuracy-latency trade-offs for posterior inference while remaining competitive in RMSE with baseline particle filters.

Quantum state tomography is sample-starved, and the states one prepares live on a narrow, learnable manifold. A $k{=}0$ prior-only control shows that on concentrated families a prior estimate is already near-optimal, so ``high fidelity at few measurements'' can be family memorization rather than tomography; genuine measurement-efficiency needs a model that conditions on the measurements and demonstrably uses them. On a shared matrix-product-state (MPS) core parameterization we study two routes. ApproachA learns a generative prior over MPS cores with measurement-guided posterior inference (gold-standard-validated, but whose few-measurement accuracy the control shows is largely the prior). ApproachB, our main proposal, is a \emph{fixed-protocol amortized} MPS estimator trained once with a gauge-invariant fidelity loss; we deliberately do not rest it on a permutation-invariant set encoder (a plain MLP matches it). The decisive lever is the measurement design: motivated by the fact that local reduced density matrices determine a $χ$-MPS, conditioning on an \emph{informative local} Pauli set rather than random strings turns a modest, memorization-prone estimator into a high-fidelity one ($\approx\!0.95$, up to $+0.59$ over prior-only, decisively passing a shuffled-measurement control). A dropout ensemble, conformally recalibrated, gives $\approx\!90\%$-coverage intervals -- including for observables never measured, where a shot-based interval does not exist. Quality holds as the system grows (fidelity $0.90$ at $n{=}10$, gain \emph{growing} in $n$; $0.88$ at bond dimension $χ{=}4$), the parameterization is polynomial (native contraction to $20$ qubits), and we close the loop on IBM hardware ($5$ states at $0.97$ from hardware-measured Paulis).

3D Gaussian Splatting represents scenes as finite mixtures of anisotropic Gaussians whose number of components $K$ is set by heuristic density control or user caps. Variational Bayes Gaussian Splatting (VBGS) recast splat fitting as conjugate variational inference, but $K$ remains fixed. We replace the finite symmetric Dirichlet over mixture weights with a truncated stick-breaking Dirichlet-process prior -- and, as a theory-backed alternative, a sparse overfitted finite Dirichlet -- so that the number of occupied components adapts to the data while every update remains a closed-form coordinate-ascent step; a natural-gradient stochastic variant makes the per-step cost independent of the number of points. We give an exact monotonicity guarantee, a rigorous truncation-error bound correcting an anti-conservative large-$α$ approximation in common use, and an honest account of what the fitted number of components estimates. Empirically: (i) the effective complexity $\hat{K}$ adapts to scene complexity and recovers the true $K$ within $\pm 1$ on well-separated synthetic data with regime-appropriate concentration; (ii) a deconfounded comparison shows the DP prior's contribution is complexity selection, not per-component efficiency -- converged DP fits exceed single-pass fixed-$K$ VBGS by +2.7 dB at matched budgets yet tie an equally converged fixed-$K$ baseline, and on 3D scenes DP-Splat matches or exceeds VBGS's held-out color prediction with 5.9-7.6x fewer components; (iii) the posterior-predictive color variance is well calibrated on model-matched synthetic data; and (iv) the ordering suggested by exact-posterior asymptotics reverses under mean-field coordinate ascent: the DP prior resists over-splitting while the sparse finite mixture saturates its truncation, a gap between variational practice and posterior asymptotics documented across three orders of magnitude in $N$.

Numerical integration is a cornerstone of various scientific computing applications, such as engineering simulations and model evidence computations in probabilistic machine learning. Bayesian Quadrature uses Gaussian process surrogates that explicitly encode structural assumptions about the integrand to obtain integral estimates with quantified uncertainty. These surrogates are predominantly based on stationary covariance functions, which results in model misspecification for integrands exhibiting nonstationary behavior. We tackle this issue through an adaptively growing, tree-based partition of the integration domain into local stationary models. Our method recombines the local integral estimates through a hierarchy of GP conditioning that reintroduces cross-subdomain correlations, while model selection criteria control the tree growth to avoid unnecessary partitioning. The resulting algorithm is simple, requires no MCMC, and adapts its evaluation budget to local integrand complexity. On benchmark integration problems and a model evidence computation for an epidemiological model, Hierarchical Bayesian Quadrature achieves substantial gains over standard Bayesian Quadrature on nonstationary integrands while matching its performance on stationary ones.

Bayesian optimization (BO) is widely used for expensive black-box problems, yet practical performance depends not only on high-level algorithmic choices but also on how surrogate model training, input and output warping transformations, acquisition functions, and candidate search are implemented. We present tidyHEBO, a BoTorch-native single-objective optimizer designed for robust general-purpose optimization. tidyHEBO jointly fits Yeo-Johnson output warping with the Gaussian-process surrogate, evaluates acquisition functions on the original objective scale using deterministic quadrature or MC-samples, and performs constrained cumulative Pareto search over multiple acquisition criteria. Without any Olympus-specific hyperparameter tuning - using only default optimizer configurations - tidyHEBO ranked first among the evaluated methods on the Olympus benchmark. It achieved the best average ranks for typical performance (average rank 1.53), worst-tail performance (1.21), and run-to-run variability (2.00), measured by median nAUC, CVaR_nAUC, and IQR_nAUC, respectively. Using the same default configuration, tidyHEBO also performed strongly on synthetic and Needle-in-a-Haystack problems and closely matched HEBO on Bayesmark (92.64 versus 93.34) while exceeding GP with logarithmic expected improvement and random search. Adaptive batching reduced feedback rounds while revealing a controllable trade-off between parallelization and optimization quality as the batch cap increased. These results characterize tidyHEBO as a robust, reproducible general-purpose optimizer for a broad range of practical optimization problems, including scientific applications and hyperparameter tuning.

We aim to address the challenge of teleoperating robotic arms for high-degree-of-freedom (high-DoF) manipulation tasks, which is cognitively demanding and error-prone, particularly when relying on low-bandwidth interfaces. We propose Robot Trajectron V3 (RT-V3), a probabilistic shared control framework designed for $SE(3)$ grasping tasks. RT-V3 formulates shared control as Bayesian inference by learning a prior over user intent and combining it with real-time user commands to estimate the posterior intent distribution. The prior models user intent as a distribution over future trajectories conditioned on past robot dynamics and visual scene context. The intent prior is parameterized by a transformer-based conditional generative model that reasons over point clouds and candidate grasp poses, together with a factorized translation-rotation representation that improves learning efficiency in high-dimensional action spaces. During execution, RT-V3 continuously estimates the posterior distribution over future trajectories by combining the learned intent prior with a user-command likelihood derived from the observed control input, enabling continuous intent refinement and shared assistance. Comprehensive experiments demonstrate that RT-V3 achieves high accuracy in trajectory prediction and competitive performance in reactive planning. Furthermore, real-world user studies indicate that RT-V3 significantly outperforms baseline methods in terms of success rate and efficiency, while substantially reducing the user's physical and mental workload.

Bayesian optimization routinely warm-starts a target experiment with data from related source tasks, and the multi-task Gaussian process is the textbook surrogate for the job. We revisit this default in a controlled setting and find that it misestimates the cross-task correlation even in the simplest non-trivial case, affinely related source and target tasks, where a working transfer learning method should obviously succeed. We trace the failure to two independent structural mechanisms. Per-task standardization, the textbook fix for the affine slice ambiguity, propagates a finite-sample alignment error into the recovered correlation. The marginal likelihood itself identifies the correlation only at a per-sample rate that a Gaussian process at non-overlapping designs further dilutes. We propose three conservative remedies that follow from the analysis: promoting per-task means and scales to model parameters, restricting the task covariance to non-negative correlations, and co-locating part of the source and target designs. Across synthetic multi-task problems and surrogate-based hyperparameter tuning transfer, these remedies recover the target-only baseline on the simple instances, while the broader failure persists on harder instances and across most rank-based and latent-context variants.

Scientific experiments are often designed to maximize information gain, yet in many applications the primary objective is to support reliable downstream decision-making. Existing decision-aware experimental design and active learning methods typically assume well-specified outcome models and implicitly rely on the stability of the optimal decision under real-world perturbations. In practice, however, experimental outcomes are frequently influenced by hidden or weakly modeled effects, which can substantially alter decision optimality and lead to misleading conclusions. We study sequential adversarially robust decision-aware experimental design, where data acquisition has to take into account information gain against plausible worst-case unexpected effects, modeled here as variation in adversarial variables. Building on Bayesian decision theory, we formalize an adversarially robust optimal decision under this setting and derive a principled Bayesian experimental design criterion. The criterion explicitly targets decision stability rather than nominal optimality. Experiments on synthetic and real-world scientific datasets show that conventional decision-aware design can converge rapidly to high confidence yet fragile decisions, while our robustness-aware approach yields decisions that are significantly more stable and reliable under adversarial variation.

Policy-based approaches to Bayesian experimental design (BED) allow the learning of deep policy networks that adaptively make intelligent design decisions based on previously collected data. However, the training of such policies is often held back by a fundamental challenge: the double intractability of the expected information gain (EIG). This necessitates expensive or complex approximations that restrict the effort one can invest in optimising the policy itself. To address this, we show that the double intractability of the EIG can be isolated from the policy learning by first solving a score matching problem that is independent of the policy used, then using the learned score approximation to train the policy in a singly intractable manner. This turns the key multiplicative cost into an additive one and reduces the computational burden on the policy training itself, making it far cheaper to train the policy multiple times when needed, e.g. for architecture search, hyperparameter tuning, or avoiding local optima. In our experiments we train multiple competitive policies without inducing a multiplicative cost in likelihood evaluations, which can increase performance by allowing us to select the best policy even without performing hyperparameter or architecture searches.

Estimating original-space conditional expectations is central to value-driven recommender systems, including dwell time, GMV, and LTV forecasting. Standard MSE is expectation-consistent in principle, but its gradients become unstable on heavy-tailed, zero-inflated, and multimodal targets, causing mean collapse and tail shrinkage. Target transformation alleviates this scale conflict, yet any useful nonlinear marginal transform loses expectation consistency under direct inversion. This is not an implementation oversight: a direct inverse-transform estimator is universally expectation-consistent only when the inverse transform is affine, which cannot simultaneously provide bounded tail compression. Existing conditionally linear recovery methods restore expectation consistency, but still leave open which coordinate, inverse lookup, recovery base, and deployment monitor should be selected for sparse complex marginals. We propose \textbf{P}robability-\textbf{I}ntegral-\textbf{TranS}formed \textbf{Un}biased recovery (\textbf{PIT-SUN}), a deployable empirical marginal recovery framework. PIT-SUN uses one empirical marginal table to define a bounded normal-score coordinate, its inverse-quantile lookup, a variance-controlled recovery base, and drift monitoring, then applies multiplicative SUN recovery to estimate the original-space expectation instead of directly inverting transformed predictions. Experiments on synthetic distributions, public benchmarks, large-scale industrial datasets, and online deployment show robust improvements in point accuracy, calibration, and ranking quality with lightweight deployment overhead.

We introduce an efficient Bayesian deep ensemble method for predictive regression designed to enhance interpretability while maintaining competitive predictive performance and computational efficiency. Our method combines the statistical rigor of Bayesian inference with the scalability of deep ensembles, providing calibrated uncertainty estimates that enable its use not only for standalone prediction but also as a component within broader learning systems. To achieve these goals, our work relies on three key design components: (i) low-dimensional ensemble representation: predictions are expressed as a combination of a small number of trained neural predictors, enabling scalable inference whose cost depends on ensemble size rather than dataset size; (ii) closed-form Bayesian aggregation: ensemble predictions are combined using Bayesian linear regression, yielding interpretable posterior weights and calibrated uncertainty without approximate inference; and (iii) Independent ensemble training: multiple neural networks are trained separately, producing diverse predictive representations that improve robustness and uncertainty calibration. Empirical results on standard regression benchmarks demonstrate that the proposed approach achieves competitive predictive performance while maintaining reliable uncertainty estimates across settings.

Autonomous systems under partial observability act on beliefs, not raw sensor events. QANTIS treats the quantum processor as a calibrated belief-update service in that loop: it receives a prior and an observation model, estimates the rare-event evidence term, and returns an ordinary posterior to a classical planner. This paper asks whether that service can be reused across a sequential Tiger POMDP horizon on present IBM Heron hardware without corrupting the planner-facing posterior. We answer with a controlled hardware case study rather than an end-to-end autonomy or wall-clock speedup claim. The study compares no amplification, guarded Grover amplification, and all-step fixed-point amplification on the same trajectory, then checks whether the returned posterior would change the downstream action. All-step FPAA preserves the Tiger posterior across the reported 8-step and 12-step primary runs, and the 20-step and 32-step controls remain inside the same operating band. In every reported decision check, the hardware posterior and the exact Bayes posterior select the same immediate action. Boundary-aware BIQAE stabilizes amplitude estimation near zero and near one, while a rare-event sweep maps the logical sample-complexity envelope for one-in-a-million evidence. The result is an operating envelope for a hardware-calibrated belief-update primitive, not a standalone hardware-advantage claim.

Training large language models (LLMs) with extended reasoning has enabled in-context search, in which models iteratively generate, critique, and revise solution attempts. We provide a theoretical analysis of in-context search by modeling it as approximate inference over reasoning traces, where the base model defines a prior and self-reflection provides feedback for posterior updates, and study the resulting inference-time sampling complexity - the number of sequential attempts needed to achieve high success probability. We show that when reflections reliably localize early mistakes, in-context search can yield exponential improvements over the base model, solving problems with exponentially small zero-shot pass rates using only a polynomial number of sequential attempts, whereas when this property fails, conditioning on past attempts offers no asymptotic benefit over parallel sampling. We further show that these gains are robust and learnable: approximate posterior updates suffice, and cross-entropy training on search rollouts recovers the required behavior with polynomial sample complexity. Finally, we show that under a stagewise abstraction of reinforcement learning with verifiable rewards, the optimal policy extension implements the same posterior reweighting rule. We validate key qualitative predictions of the theory on real large reasoning models.

Parameterized quantum circuits (PQCs) are increasingly used as policies and value functions in quantum reinforcement learning, yet it remains unclear when and why quantum policies generalize. We give a PAC-Bayesian account in which generalization is governed not by the raw number of circuit parameters, but by the effective dimension of the Fisher geometry induced by the circuit. This quantity is inflated by entanglement, making entangling connectivity an independent axis of complexity.In controlled experiments that fix the number of trainable rotations and vary only entanglement, we find that circuits with larger Fisher effective dimension exhibit larger train-test gaps, while parameter count is a weak predictor. The resulting bound acts primarily as a ranking certificate: it correctly orders circuits with identical parameter count, which parameter-counting bounds cannot do. We validate this mechanism across supervised classification, quantum contextual bandits, and value-function generalization, where entangled circuits consistently generalize worse than non-entangled circuits of equal parameter count, with gaps shrinking as sample size increases.Our strongest evidence comes from low-variance decision models, including single-observable classifiers, value heads, and one-step policies. In end-to-end multi-step policy learning, entanglement effects remain statistically significant but high return variance leaves the full ordering only partially resolved. Partial-correlation analysis shows that Fisher effective dimension screens off entangling pattern, and controls for training accuracy, readout, and optimizer rule out major optimization confounders. The effect also persists on an IBM Heron quantum processor under real noise. Overall, our results reframe quantum policy design around an entanglement--generalization trade-off rather than expressivity alone.

The uncanny valley is a long-standing empirical rule in humanoid robot design: making robots more human-like can reduce, rather than increase, affinity. Yet existing guidelines, such as adopting robot-like appearances, avoiding excessive realism, and reducing cross-modal mismatches, remain difficult to use for algorithmic design because they are not expressed as manipulable variables. Here, we propose a hierarchical Bayesian generative model that operationalizes these guidelines as mathematical design variables. The model represents affinity toward humanoid robots as posterior-weighted negative category-conditional surprise and explains category ambiguity and perceptual mismatch as increases in surprise. It maps uncanny-valley mechanisms onto four variables: deviation from the predicted robot-category mean, inconsistency in human likeness across modalities, prediction uncertainty, and observational uncertainty. Simulations showed that category ambiguity and appearance--motion mismatch can produce affinity reductions, and that uncertainty reshapes the valley. In a human-subject experiment with robot--human morphing images, we manipulated prediction uncertainty using blurred prior robot stimuli and observational uncertainty using blurred evaluation stimuli. Increased observational uncertainty attenuated the decrease in familiarity ratings at intermediate human likeness, whereas low prediction uncertainty increased ratings for robot-like appearances. This framework turns empirical uncanny-valley heuristics into a computational basis for algorithmically evaluating and optimizing humanoid robot appearance and behavior.

In many decision-making settings, new interventions are acceptable only if they do not reduce outcomes below some established threshold. For example, in clinical medicine, new treatments are often acceptable only if they do not worsen outcomes relative to an established standard of care. Safe Bayesian optimization maximizes an objective subject to safety constraints. In the setting that we consider here, safety is defined relative to a known baseline policy whose outcomes are counterfactual and therefore unobserved. Thus, the counterfactual outcomes of the baseline policy must be estimated and those (uncertain) estimates must be used to safely optimize the objective. We address this estimation problem by using conformal prediction to construct valid uncertainty intervals for counterfactual baseline outcomes, and we show how these intervals can be integrated into safe Bayesian optimization to ensure that constraint violations occur at or below a user-specified rate. We also show how to adapt these conformal estimates to different kinds of covariate shift. We provide a safety proof, experimental evidence, and a sensitivity analysis.

Variational Autoencoders (VAEs) frequently suffer from posterior collapse, a failure mode in which the approximate posterior converges to the prior, rendering the latent code uninformative. Despite extensive research, a unified account of why collapse occurs has remained an open question. We identify and formalize two logically independent but coupled causes. \emph{Gradient imbalance} occurs when the decoder's reconstruction signal vanishes faster than the $\mathbb{KL}$ regularization pressure as the posterior widens. \emph{Information gap} occurs when the stochastic sampling step discards a substantial fraction of the encoder's computed representation, attenuating decoder sensitivity and making collapse inexpensive. Both causes share the same collapse trajectory, and we show that the information gap is algebraically equivalent to mismatch between the aggregate posterior and the prior, unifying two pathologies. Subsequently, we introduce $λ$-VAE, which resolves both causes through a single modification to the reparameterization step: the sampling noise is scaled by per-dimension exponent, while the $\mathbb{KL}$ penalty retains the original posterior variance. This asymmetry shifts the stable training attractor away from the degenerate collapsed state, driving all latent dimensions toward the same equilibrium -- a mechanism we term \emph{variance equalization}. A closed-form optimal exponent per dimension follows from a net information gain objective, with a single hyperparameter controlling the reconstruction-generation tradeoff. We validate on standard benchmarks (Binary MNIST, Binary Omniglot, CIFAR-10, CelebA-64), showing consistent reductions in collapsed dimensions, information capacity gains of up to $2.8\times$ nats, and reconstruction quality improvements of up to $+0.33$ BPD.

Simulation-Based Inference (SBI) is critical for scientific discovery, with generative models offering a promising path toward efficient inference. However, existing methods struggle with effective multimodal modeling. They often rely on brute-force fusion strategies that ignore the structural disparities between parameters and observations, thus limiting estimation fidelity. In this work, we introduce FUSE (Feynman-Kac steered mUlti-modal flow matching for efficient Simulation-based posterior Estimation). Unlike prior work, FUSE employs a dual-track architecture that preserves the distinct features of multimodal inputs while facilitating dynamic interaction. Additionally, we propose an FK-steered sampling strategy that leverages intermediate observation likelihoods to guide the generative trajectories, effectively improving the sample quality during inference. Our approach outperforms state-of-the-art baselines on standard SBI benchmarks, producing posteriors that closely match ground-truth MCMC. Furthermore, in a real-world exoplanet orbital estimation task, FUSE successfully resolves complex parameter degeneracies that challenge existing methods, highlighting its potential to accelerate complex scientific discoveries in astrophysics and beyond.

Minimum Bayes Risk (MBR) decoding yields more robust and higher-quality text generation than maximum a posteriori (MAP) decoding by selecting hypotheses that maximize expected utility over sampled pseudo-references. However, there exists a discrepancy in the design: hypothesis selection calculates expected utility scores conditioned on given pseudo-references, while commonly used evaluation metrics, e.g., BLEU and COMET, are asymmetric. Therefore, it is important to consider both hypothesis-to-reference and reference-to-hypothesis directional effects. In this study, we introduce a noisy channel decomposition of MBR decoding that naturally incorporates bidirectional effects to account for these asymmetries. We decompose MBR decoding into four interacting components: hypothesis-to-reference likelihood, reference-to-hypothesis likelihood, hypothesis prior, and reference prior. This decomposition provides a unified interpretation of existing MBR variants and enables metric- and task-specific interpretability by isolating the contribution of each channel. Our comprehensive analysis reveals that channel-wise contributions exhibit distinct characteristics across metrics while remaining consistent across tasks, and suggests that appropriate channel weighting may lead to improvements over original MBR decoding.

Scientists often seek to draw causal inferences from structured data that is not independently and identically distributed, such as spatial data, network data, or molecular data. We develop geometric causal models (GCMs), a framework for causal inference from dependent data that exploits underlying symmetries of the data generating process. For example, in spatial data, we consider processes that are symmetric under translations, or in graph data, symmetric under permutations of the nodes. We show how symmetries, formalized with group theory, can enable causal identification and estimation. We deploy ergodic theory for amenable groups to establish identification, and combine geometric deep learning with scalable Bayesian inference for estimation. We recover i.i.d. causal models and do-calculus when the data is a sequence and the symmetry is permutation equivariance, and find novel types of causal models when we use alternate structures and symmetries. As an example, we construct a causal model that satisfies the symmetries of DNA. This GCM enables new estimators for the effects of genetic variation, combining deep functional genomics models to describe outcomes and DNA language models to describe propensities. We illustrate on semisynthetic data.

Accurately estimating the unknown target label distribution is the critical first step for adapting to label shift. This task, widely known as quantification or class prevalence estimation, has recently seen significant advances through continuous KDE-based methods which model the density of multiclass classifier posteriors. Posterior vectors might be regarded as compositional data, since they lie on the probability simplex. However, existing KDE-based quantifiers typically rely on Euclidean Gaussian kernels, which ignore simplex geometry and incorrectly assign probability mass outside its boundaries. We introduce a geometry-aware KDE model for multiclass quantification based on log-ratio representations and Aitchison geometry, together with a shrinkage regularization that improves robustness near the simplex boundary. Combined with a maximum-likelihood interpretation of KDE-based quantification, we derive both point-estimation and Bayesian inference procedures for class prevalences. Experiments on 42 datasets across tabular, text, and image domains show that the proposed method is competitive with state-of-the-art quantifiers, often improving over standard KDE-based baselines, while also yielding strong results among Bayesian quantification methods.

Bayesian Optimization (BO) generally begins with an initialization phase: a batch of $n_0$ uninformed evaluations. The choice of $n_0$ remains largely heuristic, and we empirically observe that the total cost (random initial points plus BO iterations needed to find the global optimum) is U-shaped in $n_0$, i.e., a practitioner wastes resources by selecting either too low or too high a value of $n_0$. We find this tradeoff persists across MLE, Bayesian MCMC, and exact GP hyperparameters, as well as across acquisition functions. Toward the latter, Thompson Sampling appears an exception, with both total cost and simple regret essentially $n_0$-agnostic, though higher in our experiments. We attribute this U-shape to the known boundary issue of variance-driven BO: BO burns early budget on corners of the hypercube before turning inward. We demonstrate this effect using a 3D BO trajectory where the exact hyperparameters are known. We conclude with practical recommendations: use multi-step lookahead BO where possible; otherwise use Thompson Sampling when $n_0$ cannot be tuned, and a generously large $n_0$ when it can.

Bayes-assisted conformal prediction combines the strengths of Bayesian modelling with exact, distribution-free frequentist coverage guarantees. Although conformal validity is preserved even when the Bayesian working model (BWM) is misspecified, the size of the resulting prediction sets can degrade substantially when the prior is poorly aligned with the observed data. We address this limitation by introducing RoBAS (Robust Bayes-Assisted Shrinkage): a Bayes-assisted framework for constructing robust nonconformity scores, with two instantiations: one induced by a heavy-tailed BWM, and a closed-form empirical Bayes shrinkage score. The resulting scores adapt to the quality of the working information encoded in the prior: when this information is reliable, they exploit it to produce efficient prediction sets; when it is weak or inaccurate, they revert to the Distance-To-Average (DTA) score, a robust non-informative baseline. We evaluate the proposed scores on tabular and image regression tasks where the training distribution may differ from the calibration and test distributions, while the calibration and test data themselves remain exchangeable. We find that they are competitive with widely used scores in the absence of such shift, while substantially reducing interval widths in shifted settings.

Diffusion and Gaussian-interpolant flow-matching samplers approach data through a terminal noise floor $\varepsilon$, a singular limit for manifold-supported or rank-deficient data. We study two properties of a complete sampler specification, comprising its update rule, time grid, and terminal rule. Asymptotic preservation (AP) means a stable and consistent zero-noise discretization with a step count bounded independently of $\varepsilon$. Uniform accuracy (UA) of order $p$ means that, at numerical resolution $h$, the endpoint $W_2$ error is $O(h^p)$ with a floor-independent constant. Bounded log-noise stepping fails AP because its step count diverges. Stopping a stable base solver at a positive switching scale $a$ and appending one map fitted to the analytic normal mode restores AP. On smooth compact boundaryless manifolds, the standard map has exact-input error $O(a^2-\varepsilon^2)$ and sharp zero-floor error $Θ(a^2)$. A base solver with a floor-uniform order-$p$ estimate on the resolved interval retains that order when $a=O(h^{p/2})$, provided the terminal transfer factor remains bounded. Along exact trajectories, the posterior-mean identity $D(x(σ),σ)=x(σ)-σx'(σ)$ cancels the linear terminal defect and enables higher-order fitted maps. A three-evaluation Hermite construction is uniformly third order for exact switching-scale input over $0\le\varepsilon\le a$, and a seven-evaluation construction is fourth order at zero. We classify representative diffusion and flow-matching specifications by AP and UA. On EDM and Rectified Flow checkpoints, a paired decomposition separates base-integration from terminal-completion error and predicts held-out same-seed endpoint errors.

Routing-prediction federated learning has emerged as a new paradigm that reframes inter-client heterogeneity as a resource for system-level intelligence: at inference time, the server routes each external query to the best-matched client for prediction. Existing approaches, however, typically treat each client as internally homogeneous, overlooking latent subpopulations within local data. For example, patients with the same diagnosis at one hospital may exhibit morphologically distinct disease subtypes. The coexistence of inter-client and intra-client heterogeneity, which we call dual heterogeneity, can impair both routing and prediction. To address this challenge, we propose FedSPM, a routing-enabled semiparametric mixture framework that represents each client using client-specific latent components. Each component combines a predictive distribution for classification with a feature distribution for routing. To flexibly model feature distributions while effectively sharing information across clients, FedSPM models their density ratios relative to a common nonparametric measure estimated via empirical likelihood. We develop a federated expectation-maximization algorithm that optimizes a tractable surrogate and prove convergence of the exact profiled objective at the standard $\mathcal{O}(1/\sqrt{T})$ rate when the surrogate errors are properly controlled. Experiments on controlled benchmarks and real-world medical data demonstrate consistent improvements in routing and prediction under dual heterogeneity. Code is available at https://github.com/zijianwang0510/FedSPM.

Physical sensing and actuation noise floors should inform how much belief resolution a decision-making system can reliably use. We introduce Finite Reliability Representations (FRR), a framework for covering belief spaces by reliability cells: regions within which the optimal action-value function Q*(b,u) varies by at most a tolerance epsilon, uniformly over actions. The framework is formulated on beliefs rather than states and uses a cover rather than an equivalence quotient, because approximate decision-closeness is not transitive in general. A central technical point is that noisy Bayesian updates should not be treated as globally contractive on arbitrary beliefs. We therefore separate three objects: the fixed-observation filter map, the predictive observation law, and the controlled belief-transition kernel. For nonlinear continuous-state systems, FRR is obtained under a reachable-set Lipschitz modulus for the belief-transition kernel. For finite-state POMDPs, the same construction becomes exact on the belief simplex: prediction is linear, Bayesian correction is a normalized positive linear map, sensor noise enters through observation-distribution distinguishability, and actuation uncertainty enters through an action-execution channel. Under the corresponding action-value Lipschitz condition, an FRR cover supports a cell-constant policy whose suboptimality is bounded by 2 epsilon/(1 - gamma). We also introduce reliability entropy, the logarithm of the minimal number of reliability cells, as a measure of certified decision-relevant belief complexity. The framework distinguishes representation sufficiency from fundamental performance floors imposed by sensing, process, and actuation noise. It applies to finite POMDPs, linear-Gaussian filters, locally linearized nonlinear filters, and particle-filter implementations through analytic or empirical certification of reliability cells.

Pulsar timing arrays (PTAs) provide a unique window into nanohertz gravitational waves (GWs), but extracting astrophysical parameters from noisy, long-baseline timing residuals remains computationally challenging with traditional Bayesian techniques due to the high dimensionality of the parameter space, complex and correlated noise models, and the cost of repeated likelihood evaluations. We introduce a Transformer with a physics-informed positional-encoding framework for the efficient inference of eccentric binary black holes in relativistic orbits from PTA data. Our approach embeds analytical GW phase evolution directly into the model through structured positional encodings, enabling the network to learn physically meaningful representations from raw PTA timing residuals. We then use generative models, including discrete and continuous conditional normalizing flows, to infer posterior distributions within a simulation-based inference framework. Across a range of signal-to-noise ratios, the proposed method achieves improved accuracy, sharper posteriors, and faster inference compared to physics-agnostic baselines. While presented for deterministic white-noise signals, the modular framework readily generalizes to realistic PTA analyses incorporating red noise and additional components. This work highlights the potential of physics-aware deep learning models as scalable alternatives to conventional inference pipelines for next-generation PTA datasets.

Brownian Bridge Diffusion Models (BBDM) offer an appealing framework for image restoration and inverse problems by constructing a stochastic bridge from the clean signal directly to the degraded observation, rather than to pure noise. Despite their promise, the choice of bridge schedule is typically inherited from heuristics, and a principled analytical framework for schedule design has been lacking. In this work, we develop such a framework by offering a novel analysis of BBDM reverse dynamics under a Mixture-of-Gaussians (MoG) prior. This setting yields a closed-form ideal posterior and a corresponding MMSE denoiser, while the BBDM-induced reconstruction law is captured analytically through a tractable surrogate. Building on these expressions, we formulate two complementary schedule-design objectives: a Wasserstein criterion targeting perceptual quality and an MSE criterion targeting reconstruction fidelity. Our work exposes an inherent tradeoff between the two and proves the existence of universal schedules for both that are independent of the degradation and prior. Extensive experiments on controlled MoG settings confirm full alignment between theory and practice, and experiments on the FFHQ dataset across inpainting, deblurring, and super-resolution tasks validate the practical value of our schedule-design criteria.

Algorithmic recourse addresses the challenge of providing tailored recommendations to users affected by unfavorable machine learning decisions, in potentially high-stakes scenarios. Traditional approaches to recourse often rely on the closest counterfactual explanations or assume a priori knowledge of a user's causal structure, resulting in interventions that overlook individual contexts and specific feature interactions. To overcome these limitations, we study a human-in-the-loop framework that iteratively approximates the user's structural causal model through interactive queries via Bayesian inference before producing recourse recommendations. This framework exploits humans' feedback to improve the identification of causal effects, allowing personalized recourse that is plausible, cost-effective, and aligned with the actual causal dependencies of each user. As a proof of concept, we evaluate this framework through simulated human responses. Our simulations across linear and non-linear causal models show promising results, though challenges remain in capturing complex, non-linear structures, emphasizing the importance of accurate approximations and robust noise distribution modeling.

Scenario-based transportation analysis specifies future assumptions through aggregate population targets, whereas generative population synthesis models produce detailed individual-level realizations. When scenario targets are imposed on generative models, current practice relies on deterministic marginal calibration, implicitly assuming that the targets are compatible with the model's learned structural support. However, whether scenario-level constraints lie within the generative support--and how strongly they distort structural uncertainty--remains largely unexamined. We propose an ensemble-based Bayesian updating framework to quantify scenario compatibility in conditional population synthesis. A population-aware conditional variational autoencoder is developed to learn a distribution over plausible population structures while preserving aggregate fidelity. An ensemble of realizations sampled from the learned prior provides an empirical approximation of structural uncertainty. Scenario targets are treated as probabilistic evidence over aggregate statistics, and posterior weights are obtained through Bayesian updating across the ensemble. Scenario compatibility is quantified using effective sample size (ESS), which measures posterior concentration and the compression of structural uncertainty induced by conditioning. Experiments demonstrate that scenario impact depends not only on target magnitude but also on alignment with the learned joint structure, and reveal structural failure modes when targets fall outside prior ensemble support. The proposed framework provides a probabilistic diagnostic model for evaluating scenario feasibility and structural consistency before downstream projection and transportation planning.

Large language models (LLMs) exhibit remarkable reasoning capabilities, but their task-specific fine-tuning is notoriously plagued by overconfidence, severely hindering trustworthy deployment. We propose Data-Adaptive Lower-Rank Adaptation (DALorRA), a simple and effective variational Bayesian sparse framework that shifts the paradigm of uncertainty quantification from the dense parameter space to the lightweight rank level of low-rank adaptation (LoRA). With the insight that LoRA essentially aggregates multiple rank-one components that may provide superfluous model capacity, DALorRA imposes stochastic masking on rank dimensions, enabling Bayesian regularization of model capacity during training and ensemble-like calibration during inference. Extensive experiments demonstrate DALorRA's excellent calibration of LLMs without compromising reasoning accuracy.

Hardware impairments in massive multiple-input multiple-output (MIMO) receivers introduce inter-symbol memory and inter-element coupling, severely degrading channel estimation. This paper employs a residual recurrent gated unit (RGRU) to model the intra-slot memory of the hardware impairments and proposes a message-passing-based two-timescale Bayesian deep learning (MP-TTBDL) framework for joint channel and impairment tracking. Owing to small-scale fading, the wireless channel varies rapidly across slots, whereas hardware impairments drift slowly due to hardware aging and environmental variations. To capture these distinct physical timescales, a fastvarying Markov prior and a slow-varying Gaussian Markov prior are assigned to the sparse channel and the network parameters, respectively. Based on a multi-slot factor graph formulation, a message-passing algorithm is developed. Specifically, the inter-slot messages admit closed-form updates, while the intra-slot factor graph, due to its complex recurrent structure, is partitioned into a channel tracking module and an impairments calibration module. The channel tracking module performs sparse channel estimation via turbo orthogonal approximate message passing (Turbo-OAMP), and the impairments calibration module updates the impairment parameters via a specially designed deep approximate message passing (DAMP) procedure, with the two modules iteratively exchanging extrinsic information through expectation propagation (EP) until convergence. Simulation results show that the proposed framework robustly achieves lower channel estimation error than conventional compensators followed by channel estimation across different online impairment scenarios and signal-to-noise ratio (SNR) conditions.

Distributed trajectory estimation arises in many applications across robotics, but existing implementations typically do not consider asynchrony in agents' communications and computations. Therefore, we propose an asynchronous block coordinate descent algorithm for distributed trajectory estimation. We consider a team of agents that observes a team of robots and estimates the robots' states over a sliding window. The agents solve an approximation of the maximum a posteriori estimation problem, which we derive. We show this approximation introduces negligible errors and eliminates up to 96.9% of communications among agents. Next, we prove that agents' iterates converge exponentially fast to the optimal estimate of the robots' states. Simulations show that this approach has up to 64% less error than a comparable state-of-the-art algorithm. Experiments on mobile robots show this approach is robust to delays whose lengths span three orders of magnitude.

Radio-frequency (RF) sensing is a central modality for counter-unmanned-aerial-system (counter-UAS) defence because it exploits the control, telemetry, and video links between a drone and its operator. Reported accuracies for RF-based drone detection and identification are often very high, but many are obtained using cross-validation that splits a small number of continuous recordings into short segments. This can place near-duplicate slices of the same recording in both training and test partitions, creating data leakage. We study this leakage problem through theory and measurement. We formalise the optimism of segment-level cross-validation and show, using Cover's function-counting theorem, that a classifier can exactly memorise the recording-to-label map when the number of independent recordings, R, is small relative to the feature dimension, d. In particular, this can occur when 2R is less than or approximately equal to d. Under these conditions, naive accuracy approaches 1, and the inflation gap approaches 1 - ACC*, where ACC* is the Bayes accuracy. The inflation eases only once R grows beyond this separability threshold. A controlled synthetic experiment with 10 seeds confirms the predicted curves: naive balanced accuracy rises from the Bayes level toward 1.0 as recording-specific nuisance variation grows, while honest recording-grouped evaluation declines to chance, with a gap reaching about 0.5. On the public DroneRF dataset, pooled leave-one-recording-out cross-validation shows drone type identification, AR versus Bebop, collapsing from a naive macro-F1 of 0.74 to 0.46, the two-class chance level. A leakage-pathway ablation attributes essentially all of the inflation to segment-level leakage.

Data assimilation models state dynamics conditioned on sequential observations, and has wide-ranging scientific applications. In the filtering setting, the goal is to model the posterior over the current state given all observations so far. Classical solutions typically make simplifying distributional or functional assumptions, e.g., linear-Gaussian systems, which can be inaccurate in many scenarios. In principle, particle filters (PFs) remove these assumptions, yet often collapse in high dimensions. Recent generative approaches learn conditional state transitions, but without principled Bayesian updates they do not recover the correct filtering posterior and can accumulate error over long horizons. In this work, we introduce Flow Proposal Particle Filters (FPPF), which learn a conditional generative model based proposal approximating the variance-minimizing optimal proposal for particle propagation. Conditioning on observations steers particles toward high-likelihood regions before weighting, reducing weight variance and delaying degeneracy. Since our proposal admits tractable likelihood evaluation, FPPF computes accurate importance weights and retains a Bayesian update step. We further extend FPPF to high-dimensional problems through localization strategies, adressing another standard PF failure mode. Extensive experiments on a variety of dynamical systems show that FPPF outperforms statistical baselines and other generative methods in non-linear, non-Gaussian, and high-dimensional regimes.

Performance in face and speaker verification is largely driven by margin-penalty softmax losses such as CosFace and ArcFace. Recently introduced $α$-divergence loss functions offer a compelling alternative, particularly due to their ability to induce sparse solutions (when $α>1$). However, standard geometric margins are designed for the softmax function and do not naturally extend to this generalized probabilistic framework. In this paper we propose Q-Margin, a novel $α$-divergence loss that introduces a principled probabilistic margin. Unlike conventional methods that apply geometric penalties to the logits (unnormalized log-likelihoods), Q-Margin encodes the margin penalty directly into the reference measure (prior probabilities). This formulation naturally encourages discriminative embeddings while preserving the beneficial sparsity properties of the $α$-divergence. We demonstrate that Q-Margin achieves competitive or superior performance on the challenging IJB-B and IJB-C face verification benchmarks and similarly strong results in speaker verification on VoxCeleb. Crucially, against ArcFace and CosFace baselines trained under an identical recipe, Q-Margin consistently improves at low False Acceptance Rates (FARs), a capability critical for practical high-security applications. Finally, the extreme sparsity of the Q-Margin posteriors enables exact and memory-efficient training, offering a scalable solution for datasets with millions of identities.