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 Uncertainty


1543d6d5cb976e4f9fbfaedf2e257967-Paper-Datasets_and_Benchmarks_Track.pdf

Neural Information Processing Systems

Sample-wise learning curves plot performance versus training set size. They are useful for studying scaling laws and speeding up hyperparameter tuning and model selection. Learning curves are often assumed to be well-behaved: monotone (i.e.


Scaling Epidemic Inference on Contact Networks: Theory and Algorithms

Neural Information Processing Systems

Computational epidemiology is crucial in understanding and controlling infectious diseases, as highlighted by large-scale outbreaks such as COVID-19. Given the inherent uncertainty and variability of disease spread, Monte Carlo (MC) simulations are widely used to predict infection peaks, estimate reproduction numbers, and evaluate the impact of non-pharmaceutical interventions (NPIs). While effective, MC-based methods require numerous runs to achieve statistically reliable estimates and variance, which suffer from high computational costs. In this work, we present a unified theoretical framework for analyzing disease spread dynamics on both directed and undirected contact networks, and propose an algorithm, RAPID, that significantly improves computational efficiency.


Nonlocal Bayesian Modeling of Continuous Spatio-Temporal Dynamics

arXiv.org Machine Learning

Real-world spatio-temporal forecasting must handle irregular time points, spatially sparse observations, and the need for uncertainty quantification. This setting is often further compounded by nonlocal interactions (long-range spatial coupling). Modeling continuous-space, continuous-time nonlocal dynamics naturally leads to infinite-dimensional integro-differential equations (IDEs), making principled Bayesian inference intractable. We propose the NonLocal Bayesian Spatio-Temporal model (NLBST), a hierarchical Bayesian framework for continuous spatio-temporal fields that learns explicit nonlocal coupling while retaining tractable inference. NLBST represents the latent field via a coordinate-based spatial basis expansion and models the coefficient process with a continuous-time ODE whose learnable linear operator corresponds to a Galerkin reduction of a nonlocal IDE; a Neural ODE residual captures additional nonlinear dynamics. A linear-Gaussian observation model enables Kalman-style sequential updates under missing and irregular observations, while the spatial basis representation enables inductive prediction at unmeasured locations without retraining. Global parameters are learned via variational inference, and uncertainty is handled through a Bayesian hierarchy. Experiments on synthetic and real-world datasets demonstrate strong forecasting and spatial generalization with well-calibrated uncertainty, yielding substantial gains over baselines in strongly nonlocal and partially observed regimes.


A Deep Zero-Inflated Model of North Atlantic Right Whale Presence To Support Blue Economy Management in the U.S. East Coast

arXiv.org Machine Learning

Effective modeling of endangered marine mammal species, such as the North Atlantic Right Whale, is critical for balancing marine conservation with the growing blue economy. Passive acoustic monitoring data collected by autonomous underwater vehicles provide new opportunities for localized marine species detection and oceanographic sensing, but introduce complex statistical challenges such as zero inflation, imperfect detection, and intricate dependence structures. In response, we propose the Deep Zero-Inflated Bernoulli (DeepZIB) model--a deep statistical method which jointly models latent species presence and conditional detection probabilities while learning complex habitat relationships from heterogeneous covariate information. We establish theoretical results on the model's structural properties and conduct simulation experiments to demonstrate its ability to recover underlying parameters and latent presence fields. Application to real-world passive acoustic monitoring data on the North Atlantic Right Whale along the U.S. East Coast demonstrates improved model adequacy and predictive performance in capturing the species' dynamic and spatially varying habitat. A key advantage of DeepZIB is its ability to generate high-resolution, spatially and temporally varying presence maps, providing valuable insights for targeted and risk-aware management of blue economy industries, ranging from offshore and marine energy, to fisheries management and maritime transport.


Hybrid Uncertainty Sensitivity Analysis Based on the HSIC for High-Dimensional Responses with Aleatory--Epistemic Separation

arXiv.org Machine Learning

Quantifying the influence of hybrid aleatory and epistemic uncertainties on high-dimensional system responses remains a major challenge in global sensitivity analysis (GSA). Existing Hilbert--Schmidt Independence Criterion (HSIC)-based approaches are primarily restricted to single-output settings and lack a rigorous decomposition of heterogeneous uncertainty sources and their interactions. To address this limitation, a novel double-space tensor-product RKHS framework is proposed for sensitivity analysis under hybrid uncertainty. By constructing factorized kernels over both the latent input space and the multidimensional output space, a concurrent double Mรถbius inversion is derived to orthogonally decompose the global dependence measure into pure aleatory effects, pure epistemic effects, and their interaction contributions. The resulting dimension-wise sensitivity indices preserve the uncertainty attribution structure across all output dimensions. To satisfy the independence assumptions required by the decomposition, an auxiliary-variable representation based on the inverse probability integral transform is introduced, enabling the treatment of hierarchical uncertainties and Copula-induced correlations within a unified latent space. A fully vectorized single-loop implementation is further developed to avoid the computational burden of nested Monte Carlo simulation. Statistical significance and estimation uncertainty are quantified through permutation testing and Bootstrap confidence intervals. Numerical studies on a modified multi-output Ishigami function and an aerodynamic pressure-field problem demonstrate the accuracy, scalability, and practical applicability of the proposed framework.


ADynamic Learning Strategy for Dempster-Shafer Theory with Applications in Classification and Enhancement

Neural Information Processing Systems

Effective modelling of uncertain information is crucial for quantifying uncertainty. Dempster-Shafer evidence (DSE) theory is a widely recognized approach for handling uncertain information. However, current methods often neglect the inherent a priori information within data during modelling, and imbalanced data lead to insufficient attention to key information in the model. To address these limitations, this paper presents a dynamic learning strategy based on nonuniform splitting mechanism and Hilbert space mapping. First, the framework uses a nonuniform splitting mechanism to dynamically adjust the weights of data subsets and combines the diffusion factor to effectively incorporate the data a priori information, thereby flexibly addressing uncertainty and conflict. Second, the conflict in the information fusion process is reduced by Hilbert space mapping. Experimental results on multiple tasks show that the proposed method significantly outperforms state-of-the-art methods and effectively improves the performance of classification and low-light image enhancement (LLIE) tasks. The code is available at https://anonymous.4open.science/r/Third-ED16.


Aligning Evaluation with Clinical Priorities: Calibration, Label Shift, and Error Costs

Neural Information Processing Systems

Machine learning-based decision support systems are increasingly deployed in clinical settings, where probabilistic scoring functions are used to inform and prioritize patient management decisions. However, widely used scoring rules, such as accuracy and AUC-ROC, fail to adequately reflect key clinical priorities, including calibration, robustness to distributional shifts, and sensitivity to asymmetric error costs. In this work, we propose a principled yet practical evaluation framework for selecting calibrated thresholded classifiers that explicitly accounts for uncertainty in class prevalences and domain-specific cost asymmetries. Building on the theory of proper scoring rules, particularly the Schervish representation, we derive an adjusted variant of cross-entropy (log score) that averages cost-weighted performance over clinically relevant ranges of class balance. The resulting evaluation is simple to apply, sensitive to clinical deployment conditions, and designed to prioritize models that are both calibrated and robust to real-world variations.


ItDPDM: Information-Theoretic Discrete Poisson Diffusion Model

Neural Information Processing Systems

Generative modeling of non-negative, discrete data, such as symbolic music, remains challenging due to two persistent limitations in existing methods. First, most approaches rely on modeling continuous embeddings, which are not wellsuited for inherently discrete data distributions.


Multiscale guidance of protein structure prediction with heterogeneous cryo-EM data

Neural Information Processing Systems

Protein structure prediction models are now capable of generating accurate 3D structural hypotheses from sequence alone. However, they routinely fail to capture the conformational diversity of dynamic biomolecular complexes, often requiring heuristic MSA subsampling approaches for generating alternative states. In parallel, cryo-electron microscopy (cryo-EM) has emerged as a powerful tool for imaging near-native structural heterogeneity, but is challenged by arduous pipelines to transform raw experimental data into atomic models. Here, we bridge the gap between these modalities, combining cryo-EM density maps with the rich sequence and biophysical priors learned by protein structure prediction models. Our method, CryoBoltz, guides the sampling trajectory of a pretrained biomolecular structure prediction model using both global and local structural constraints derived from density maps, driving predictions towards conformational states consistent with the experimental data. We demonstrate that this flexible yet powerful inferencetime approach allows us to build atomic models into heterogeneous cryo-EM maps across a variety of dynamic biomolecular systems including transporters and antibodies.


Hippocampal-like Sequential Editing for Continual Knowledge Updates in Large Language Models

Neural Information Processing Systems

Large language models (LLMs) are now pivotal in real-world applications. Model editing has emerged as a promising paradigm for efficiently modifying LLMs without full retraining. However, current editing approaches face significant limitations due to parameter drift, which stems from inconsistencies between newly edited knowledge and the model's existing knowledge. In sequential editing scenarios, cumulative drifts progressively lead to model collapse characterized by general capability degradation and balance between acquiring new knowledge and catastrophic forgetting of existing knowledge. Drawing inspiration from the hippocampal trisynaptic circuit for continual memorizing and forgetting, we propose a Hippocampal-like Sequential Editing (HSE) framework that designs the unlearning of obsolete knowledge, domain-specific knowledge update separation and replay for edited knowledge. Specifically, the HSE framework designs three core mechanisms: (1) Machine unlearning selectively erases outdated knowledge to facilitate integration of new information, (2) Fisher information matrix-guided parameter updates prevents cross-domain knowledge interference, and (3) Parameter replay consolidates long-term editing memory through lightweight and global replay of editing data in a parametric form. Theoretical analysis demonstrates that HSE achieves smaller generalization error bounds, more stable convergence and higher computational efficiency.