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Bayesian Scattering: A Principled Baseline for Uncertainty on Image Data

arXiv.org Machine Learning

Uncertainty quantification for image data is dominated by complex deep learning methods, yet the field lacks an interpretable, mathematically grounded baseline. We propose Bayesian scattering to fill this gap, serving as a first-step baseline akin to the role of Bayesian linear regression for tabular data. Our method couples the wavelet scattering transform-a deep, non-learned feature extractor-with a simple probabilistic head. Because scattering features are derived from geometric principles rather than learned, they avoid overfitting the training distribution. This helps provide sensible uncertainty estimates even under significant distribution shifts. We validate this on diverse tasks, including medical imaging under institution shift, wealth mapping under country-to-country shift, and Bayesian optimization of molecular properties. Our results suggest that Bayesian scattering is a solid baseline for complex uncertainty quantification methods.


CoNBONet: Conformalized Neuroscience-inspired Bayesian Operator Network for Reliability Analysis

arXiv.org Machine Learning

Time-dependent reliability analysis of nonlinear dynamical systems under stochastic excitations is a critical yet computationally demanding task. Conventional approaches, such as Monte Carlo simulation, necessitate repeated evaluations of computationally expensive numerical solvers, leading to significant computational bottlenecks. To address this challenge, we propose \textit{CoNBONet}, a neuroscience-inspired surrogate model that enables fast, energy-efficient, and uncertainty-aware reliability analysis, providing a scalable alternative to techniques such as Monte Carlo simulations. CoNBONet, short for \textbf{Co}nformalized \textbf{N}euroscience-inspired \textbf{B}ayesian \textbf{O}perator \textbf{Net}work, leverages the expressive power of deep operator networks while integrating neuroscience-inspired neuron models to achieve fast, low-power inference. Unlike traditional surrogates such as Gaussian processes, polynomial chaos expansions, or support vector regression, that may face scalability challenges for high-dimensional, time-dependent reliability problems, CoNBONet offers \textit{fast and energy-efficient inference} enabled by a neuroscience-inspired network architecture, \textit{calibrated uncertainty quantification with theoretical guarantees} via split conformal prediction, and \textit{strong generalization capability} through an operator-learning paradigm that maps input functions to system response trajectories. Validation of the proposed CoNBONet for various nonlinear dynamical systems demonstrates that CoNBONet preserves predictive fidelity, and achieves reliable coverage of failure probabilities, making it a powerful tool for robust and scalable reliability analysis in engineering design.


Noise Titration: Exact Distributional Benchmarking for Probabilistic Time Series Forecasting

arXiv.org Machine Learning

Modern time series forecasting is evaluated almost entirely through passive observation of single historical trajectories, rendering claims about a model's robustness to non-stationarity fundamentally unfalsifiable. We propose a paradigm shift toward interventionist, exact-statistical benchmarking. By systematically titrating calibrated Gaussian observation noise into known chaotic and stochastic dynamical systems, we transform forecasting from a black-box sequence matching game into an exact distributional inference task. Because the underlying data-generating process and noise variance are mathematically explicit, evaluation can rely on exact negative log-likelihoods and calibrated distributional tests rather than heuristic approximations. To fully leverage this framework, we extend the Fern architecture into a probabilistic generative model that natively parameterizes the Symmetric Positive Definite (SPD) cone, outputting calibrated joint covariance structures without the computational bottleneck of generic Jacobian modeling. Under this rigorous evaluation, we find that state-of-the-art zero-shot foundation models behave consistently with the context-parroting mechanism, failing systematically under non-stationary regime shifts and elevated noise. In contrast, Fern explicitly captures the invariant measure and multivariate geometry of the underlying dynamics, maintaining structural fidelity and statistically sharp calibration precisely where massive sequence-matching models collapse.


Integrative Learning of Dynamically Evolving Multiplex Graphs and Nodal Attributes Using Neural Network Gaussian Processes with an Application to Dynamic Terrorism Graphs

arXiv.org Machine Learning

Exploring the dynamic co-evolution of multiplex graphs and nodal attributes is a compelling question in criminal and terrorism networks. This article is motivated by the study of dynamically evolving interactions among prominent terrorist organizations, considering various organizational attributes like size, ideology, leadership, and operational capacity. Statistically principled integration of multiplex graphs with nodal attributes is significantly challenging due to the need to leverage shared information within and across layers, account for uncertainty in predicting unobserved links, and capture temporal evolution of node attributes. These difficulties increase when layers are partially observed, as in terrorism networks where connections are deliberately hidden to obscure key relationships. To address these challenges, we present a principled methodological framework to integrate the multiplex graph layers and nodal attributes. The approach employs time-varying stochastic latent factor models, leveraging shared latent factors to capture graph structure and its co-evolution with node attributes. Latent factors are modeled using Gaussian processes with an infinitely wide deep neural network-based covariance function, termed neural network Gaussian processes (NN-GP). The NN-GP framework on latent factors exploits the predictive power of Bayesian deep neural network architecture while propagating uncertainty for reliability. Simulation studies highlight superior performance of the proposed approach in achieving inferential objectives. The approach, termed as dynamic joint learner, enables predictive inference (with uncertainty) of diverse unobserved dynamic relationships among prominent terrorist organizations and their organization-specific attributes, as well as clustering behavior in terms of friend-and-foe relationships, which could be informative in counter-terrorism research.


On the Role of Batch Size in Stochastic Conditional Gradient Methods

arXiv.org Machine Learning

We study the role of batch size in stochastic conditional gradient methods under a $μ$-Kurdyka-Łojasiewicz ($μ$-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.



Scalable Adaptive Stochastic Optimization Using Random Projections

Neural Information Processing Systems

Adaptive stochastic gradient methods such as ADAGRAD have gained popularity in particular for training deep neural networks. The most commonly used and studied variant maintains a diagonal matrix approximation to second order information by accumulating past gradients which are used to tune the step size adaptively. In certain situations the full-matrix variant of ADAGRAD is expected to attain better performance, however in high dimensions it is computationally impractical.



Dynamic Filter Networks

Neural Information Processing Systems

In a traditional convolutional layer, the learned filters stay fixed after training. In contrast, we introduce a new framework, the Dynamic Filter Network, where filters are generated dynamically conditioned on an input. We show that this architecture is a powerful one, with increased flexibility thanks to its adaptive nature, yet without an excessive increase in the number of model parameters. A wide variety of filtering operations can be learned this way, including local spatial transformations, but also others like selective (de)blurring or adaptive feature extraction. Moreover, multiple such layers can be combined, e.g. in a recurrent architecture. We demonstrate the effectiveness of the dynamic filter network on the tasks of video and stereo prediction, and reach state-of-the-art performance on the moving MNIST dataset with a much smaller model. By visualizing the learned filters, we illustrate that the network has picked up flow information by only looking at unlabelled training data. This suggests that the network can be used to pretrain networks for various supervised tasks in an unsupervised way, like optical flow and depth estimation.