predictive distribution
On the Construction and Implications of Low-Loss Valleys in LoRA-based Bayesian Inference
Dold, Daniel, Sommer, Emanuel, Kobialka, Julius, Dürr, Oliver, Rügamer, David
While parameter-efficient fine-tuning methods like low-rank adaptation (LoRA) are standard for large language models, principled estimation of epistemic uncertainty remains challenging. Recent results in the LoRA regime suggest that discrete multi-mode approaches such as deep ensembles offer little benefit over single-mode methods. This contradicts broader observations in deep learning, where ensembling independent optima typically improves generalization, and linking these modes through continuous low-loss valleys further enhances Bayesian model averaging (BMA). Whether such structure exists in the LoRA space and whether it yields functional diversity missed by local or discrete methods has not been studied. We introduce LoRA-Curve, a segmented Bézier curve parameterization in the LoRA space, with two variants: a free configuration that jointly optimizes all control points, and an anchored configuration that connects independently fine-tuned LoRA optima. We prove pathwise continuity and Lipschitz regularity of the loss along the curve and empirically show, across reasoning and classification benchmarks with Qwen2.5 7B, that linear interpolation encounters loss barriers, while our anchored multi-segment curves connect independent optima through continuous low-loss valleys. Combined with flat-minima perturbations and a Jensen-Shannon divergence regularizer, LoRA-Curve yields measurably higher mutual information of the predictive distribution without sacrificing performance, and links continuous parameter-space traversal to functional diversity.
Evaluating the Relevance of Uncertainty Estimators for LLM Hallucination
Agnimo, Yedidia, Korba, Anna, Blangero, Annabelle, Chesneau, Nicolas, Alahari, Karteek
Large language models (LLMs) are prone to hallucinations, i.e., statements unsupported by the input or training data, hindering reliable deployment. In parallel, numerous uncertainty estimation (UE) methods have been proposed to quantify model confidence and are often implicitly treated as proxies for model failure. However, the relationship between uncertainty and hallucinations remains insufficiently characterized. We present a systematic empirical study of the association between uncertainty estimators and hallucinations in LLMs. Rather than assuming this association, we evaluate directly when and to what extent it holds. We consider a diverse set of uncertainty estimators, including information-theoretic, sampling-based, and reflexive estimators, and examine their behavior across hallucination settings. Our experiments cover both intrinsic hallucinations (violations of input faithfulness) and extrinsic hallucinations (unsupported claims relative to training data), using four complementary benchmarks, including RAGTruth and HalluLens. We find that the association is highly variable and often weak, depending on the hallucination type and the LLM under evaluation. These results challenge the use of uncertainty as a direct signal of hallucination and clarify when it provides actionable information.
Courtroom Analogy: New Perspective on Uncertainty-Aware Classification
Single-pass uncertainty quantification (UQ) methods for classification represent uncertainty by predicting a tractable distribution over the class probability vector. While existing approaches primarily focus on enhancing the expressiveness of this distribution, they often provide limited insight into how predictive uncertainty is structured and aggregated, resulting in weak interpretability. We introduce the courtroom analogy, which conceptualizes uncertainty-aware classification as a structured debate among class-specific advocates. Each advocate forms a probabilistic opinion, and a final verdict is reached by aggregating these opinions using input-dependent plausibility weights. In this framework, each advocate's opinion is modeled as a Dirichlet distribution whose concentration parameter is decomposed into shared evidence and class-specific advocacy. This yields a structured mixture of Dirichlet distributions with semantically interpretable parameters. To instantiate this formulation, we propose Mixture of Dirichlet EXperts (MoDEX), a single-pass neural architecture that predicts the courtroom parameters, enabling efficient and expressive UQ while explicitly modeling uncertainty aggregation. We demonstrate that MoDEX enjoys strong theoretical properties and achieves state-of-the-art UQ performance across diverse benchmarks, yielding interpretable uncertainty estimates with meaningful semantics.
Probabilistic Multivariate Time Series Forecasting with Diffusion Copulas
Huk, David, Wang, Dongshan, Bresar, Miha
Accurately assessing financial risk requires capturing both individual asset volatility and the complex, asymmetric dependence structures that emerge during extreme market events. While modern diffusion-based models have advanced multivariate forecasting, they often suffer from a "normality bias" when trained end-to-end, sacrificing marginal calibration for joint coherence and consistently underestimating tail risk. To address this, we propose a Diffusion-Copula framework that explicitly decouples the learning of marginal distributions from their dependence structure. We employ deep Mixture Density Networks to capture heavy-tailed asset dynamics, followed by a Classification-Diffusion Copula to model the joint dependence. Applied to cryptocurrency markets, our approach demonstrates superior performance over state-of-the-art baselines in forecasting systemic extremes of both marginal and joint events. Crucially, we demonstrate that while baseline models classify simultaneous market crashes as statistically impossible "Black Swans" (high surprise), our framework identifies them as "Expected Crashes" (low surprise), successfully preserving the correlation structure necessary for robust risk management during contagion events.
A Cubing Strategy for Identifying Stable Hyperparameter Regions for Uncertainty Quantification in Spatial Deep Learning
Amouzou, Isaac, Lee, Ben Seiyon
Spatially referenced datasets have become increasingly prevalent across many fields, largely driven by advances in data collection methods such as satellite remote sensing. In many applications, predictions at unobserved locations are accompanied by reliable uncertainty estimates. While deep learning methods provide both scalable and accurate models for spatial predictions, there remains no clear consensus for addressing uncertainty quantification in spatial deep learning. Monte Carlo (MC) dropout has become a popular approach for uncertainty quantification, yet existing implementations typically focus on tuning the dropout rate while fixing other influential hyperparameters, such as weight decay and the predictive standard deviation multiplier, often through ad-hoc or manual tuning. We propose a cubing-based diagnostic framework that recursively partitions the hyperparameter space to identify stable regions where MC dropout yields well-calibrated predictive intervals. The approach evaluates hyperparameter regions using scoring rules relative to a statistical baseline model, which serves as a calibration anchor. Through a simulation study spanning multiple spatial dependence regimes as well as a large remotely-sensed land surface temperature dataset, we demonstrate that our approach produces competitive or superior predictive intervals compared to the baseline model. Our methodology provides practitioners with a systematic procedure for incorporating uncertainty quantification into spatial deep learning models.
Asymptotically Log-Optimal Bayes-Assisted Confidence Sequences for Bounded Means
Kilian, Valentin, Cortinovis, Stefano, Caron, François
Confidence sequences based on test martingales provide time-uniform uncertainty quantification for the mean of bounded IID observations without parametric distributional assumptions. Their practical efficiency, however, depends strongly on the choice of martingale updates, and many existing constructions do not exploit prior information about plausible data-generating distributions or mean values. We propose a Bayes-assisted framework that uses a Bayesian working predictive model to adaptively construct confidence sequences. For each candidate mean and time point, the predictive distribution selects, among valid one-step martingale factors, the update maximising predictive expected log-growth; validity is therefore preserved even when the prior or working model is misspecified. We prove that if the predictive distribution is Wasserstein-consistent, the resulting procedure is asymptotically log-optimal, matching the per-sample log-growth of an oracle procedure with access to the true distribution. We instantiate the framework using robust predictives based on Dirichlet-process mixtures and Bayesian exponentially tilted empirical likelihood. Experiments on synthetic data, sequential best-arm identification for LLM evaluation, and prediction-powered inference show that informative priors can substantially reduce confidence-sequence width and sampling effort while retaining anytime-valid coverage.
Optimality of Sub-network Laplace Approximations: New Results and Methods
Raha, Swarnali, Khare, Kshitij, Patra, Rohit K
Although the Laplace approximation offers a simple route to uncertainty quantification in deep neural networks, its reliance on inverting large Hessian matrices has motivated a range of computationally feasible low-dimensional or sparse approximations. A prominent class of such methods - sub-network Laplace approximations, constructs surrogates by restricting attention to a small subset of parameters. Existing approaches in this family typically rely on diagonal, layer-wise, or other architectural heuristics for subset selection, which ignore cross-parameter interactions and lack formal optimality guarantees. In this paper, we provide a rigorous theoretical analysis of the sub-network Laplace paradigm. We prove that all sub-network Laplace methods systematically underestimate the predictive variance of the full Laplace posterior, and that this bias decreases monotonically as the retained sub-matrix expands. Leveraging this insight, we propose two principled, analytically grounded sub-network Hessian approximations: \textit{Gradient-Laplace} selects parameters with the largest average squared gradients of the model output with respect to the parameters over a reference dataset; while \textit{Greedy-Laplace} iteratively refines this selection by accounting for off-diagonal interactions in the precision matrix. We establish theoretical guarantees characterizing their optimality properties and show that Gradient-Laplace provably outperforms existing heuristic approaches. Extensive numerical studies across diverse settings indicate that these methods perform strongly relative to existing benchmarks.
Empirical Bayes 1-bit matrix completion
Matrix completion is a fundamental problem in machine learning, where the objective is to recover missing entries of a partially observed matrix. A prominent example is the Netflix Prize (Bennett and Lanning, 2007), which involved predicting a matrix of movie ratings by users for recommendation purposes. Beyond recommendation, matrix completion has recently found applications in causal inference for panel data (Athey et al., 2021). A standard assumption in matrix completion is that the underlying matrix is approximately low-rank, reflecting a few latent factors that govern interactions between rows and columns. A substantial body of work has established theoretical guarantees and developed efficient algorithms for matrix completion (Cai, Cand`es and Shen, 2010; Cand`es and Recht, 2008; Keshavan, Montanari, and Oh, 2010; Mazumder, Hastie and Tibshirani, 2010; Recht, 2011), predominantly focusing on cases where the observed entries are continuous-valued. In many applications, however, observations are not continuous-valued but binary.
Decoupled PFNs: Identifiable Epistemic-Aleatoric Decomposition via Structured Synthetic Priors
Bergna, Richard, Depeweg, Stefan, Hernández-Lobato, José Miguel
Prior-Fitted Networks (PFNs) amortize Bayesian prediction by meta-learning over a synthetic task prior, but their standard output is a posterior predictive distribution over noisy observations. For sequential decision-making, such as active learning and Bayesian optimization, acquisition should prioritize epistemic uncertainty about the latent signal rather than irreducible aleatoric observation noise. We show that this epistemic--aleatoric split is not identifiable in general from the posterior predictive distribution alone, even when that distribution is known exactly. We then exploit a distinctive advantage of PFNs: because the synthetic data-generating process is under our control, each task can contain an explicit latent signal and noise function, and the generator can provide query-level labels for both the noiseless target and the observation-noise variance. We use these labels to train a decoupled PFN with separate latent-signal and aleatoric heads. The observation-level predictive is induced by convolving the latent signal distribution with the learned noise model. Empirically, epistemic-only acquisition mitigates the failure mode of total-variance exploration in noisy and heteroscedastic settings. In matched comparisons, decoupled models usually improve over tuned observation-level baselines, with the clearest gains in HPO; in broader sweeps, a decoupled model obtains the best average rank in both HPO and synthetic BO.
Training-Free Probabilistic Time-Series Forecasting with Conformal Seasonal Pools
We propose Conformal Seasonal Pools (CSP), a training-free probabilistic time-series forecaster that mixes same-season empirical draws with signed residual draws around a seasonal naive forecast. In an audited rolling-origin benchmark on the six time-series datasets where DeepNPTS was originally evaluated (electricity, exchange_rate, solar_energy, taxi, traffic, wikipedia), CSP-Adaptive significantly outperforms DeepNPTS on every metric we report -- CRPS (per-window paired Wilcoxon $p \approx 4 \times 10^{-10}$), normalized mean quantile loss ($p \approx 7 \times 10^{-10}$), and empirical 95% coverage ($p \approx 8 \times 10^{-45}$, mean 0.89 vs 0.66) -- while running over 500x faster on CPU. Coverage is the most decision-critical of these: a 0.95 nominal interval that contains the truth in only ~66% of cases fails the basic calibration desideratum and would not survive deployment in safety- or decision-critical settings. The failure mode is also more severe than aggregate coverage suggests: in the worst 10% of windows, DeepNPTS's prediction interval covers none of the H forecast horizons -- the entire multi-step trajectory misses the truth at every step simultaneously. This poses serious risk in safety- and decision-critical applications such as healthcare, finance, energy operations, and autonomous systems, where prediction intervals that systematically miss the truth across the entire planning horizon translate directly into misclassified patients, regulatory capital failures, grid imbalances, and safety-case violations. CSP achieves all of this with no learned parameters and no training. We argue training-free conformal samplers should be mandatory baselines when evaluating learned non-parametric forecasters.