Uncertainty
Active Learning of Fractional-Order Viscoelastic Model Parameters for Realistic Haptic Rendering
Tolasa, Harun, Gemalmaz, Gorkem, Patoglu, Volkan
Fractional-order models provide an effective means of describing intrinsically time-dependent viscoelastic dynamics with few parameters, as these models can naturally capture memory effects. However, due to the unintuitive frequency-dependent coupling between the order of the fractional element and the other parameters, determining appropriate parameters for fractional-order models that yield high perceived realism remains a significant challenge. In this study, we propose a systematic means of determining the parameters of fractional-order viscoelastic models that optimizes the perceived realism of haptic rendering across general populations. First, we demonstrate that the parameters of fractional-order models can be effectively optimized through active learning, via qualitative feedback-based human-in-the-loop (HiL) optimizations, to ensure consistently high realism ratings for each individual. Second, we propose a rigorous method to combine HiL optimization results to form an aggregate perceptual map trained on the entire dataset and demonstrate the selection of population-level optimal parameters from this representation that are broadly perceived as realistic across general populations. Finally, we provide evidence of the effectiveness of the generalized fractional-order viscoelastic model parameters by characterizing their perceived realism through human-subject experiments. Overall, generalized fractional-order viscoelastic models established through the proposed HiL optimization and aggregation approach possess the potential to significantly improve the sim-to-real transition performance of medical training simulators. Index T erms--Viscoelastic materials, fractional-order standard linear solid model, haptic rendering, human-in-the-loop optimization, perceived realism, and medical training simulators.
Decoupled-Value Attention for Prior-Data Fitted Networks: GP Inference for Physical Equations
Sharma, Kaustubh, Singh, Simardeep, Pareek, Parikshit
Prior-data fitted networks (PFNs) are a promising alternative to time-consuming Gaussian process (GP) inference for creating fast surrogates of physical systems. PFN reduces the computational burden of GP-training by replacing Bayesian inference in GP with a single forward pass of a learned prediction model. We introduce Decoupled-V alue Attention (DV A)- motivated by the GP property that the function space is fully characterized by the kernel over inputs and the predictive mean is a weighted sum of training targets. DV A computes similarities from inputs only and propagates labels solely through values. Thus, the proposed DV A mirrors the GP update while remaining kernel-free. We demonstrate that PFNs are backbone architecture invariant and the crucial factor for scaling PFNs is the attention rule rather than the architecture itself. Specifically, our results demonstrate that (a) localized attention consistently reduces out-of-sample validation loss in PFNs across different dimensional settings, with validation loss reduced by more than 50% in five-and ten-dimensional cases, and (b) the role of attention is more decisive than the choice of backbone architecture, showing that CNN, RNN and LSTM-based PFNs can perform at par with their Transformer-based counterparts. Bayesian inference provides a powerful framework for reasoning under uncertainty, with methods like Gaussian processes (GPs) offering well-calibrated predictions and principled uncertainty estimates (Williams & Rasmussen, 2006). However, the practical application of these methods is often hindered by the heavy computational burden of learning kernel hyperparameters. For example, exact GP inference scales cubically with the number of data points, making its deployment infeasible for large datasets or problems requiring repeated training. Consider a physical system where a surrogate GP is chosen due to its uncertainty estimates and differentiable closed-form expressions. However, the underlying input dataset and configuration changes frequently, and the surrogate is supposed to work for these new, previously unseen variations. In such conditions, GP needs to be trained repeatedly, incurring significant computing cost, each time the dataset changes.
RTNinja: A generalized machine learning framework for analyzing random telegraph noise signals in nanoelectronic devices
Varanasi, Anirudh, Degraeve, Robin, Roussel, Philippe, Merckling, Clement
Random telegraph noise is a prevalent variability phenomenon in nanoelectronic devices, arising from stochastic carrier exchange at defect sites and critically impacting device reliability and performance. Conventional analysis techniques often rely on restrictive assumptions or manual interventions, limiting their applicability to complex, noisy datasets. Here, we introduce RTNinja, a generalized, fully automated machine learning framework for the unsupervised analysis of random telegraph noise signals. RTNinja deconvolves complex signals to identify the number and characteristics of hidden individual sources without requiring prior knowledge of the system. The framework comprises two modular components: LevelsExtractor, which uses Bayesian inference and model selection to denoise and discretize the signal, and SourcesMapper, which infers source configurations through probabilistic clustering and optimization. To evaluate performance, we developed a Monte Carlo simulator that generates labeled datasets spanning broad signal-to-noise ratios and source complexities; across 7000 such datasets, RTNinja consistently demonstrated high-fidelity signal reconstruction and accurate extraction of source amplitudes and activity patterns. Our results demonstrate that RTNinja offers a robust, scalable, and device-agnostic tool for random telegraph noise characterization, enabling large-scale statistical benchmarking, reliability-centric technology qualification, predictive failure modeling, and device physics exploration in next-generation nanoelectronics.
How to Bridge the Sim-to-Real Gap in Digital Twin-Aided Telecommunication Networks
Ruah, Clement, Sifaou, Houssem, Simeone, Osvaldo, Al-Hashimi, Bashir M.
Abstract--Training effective artificial intelligence models for telecommunications is challenging due to the scarcity of deployment-specific data. Real data collection is expensive, and available datasets often fail to capture the unique operational conditions and contextual variability of the network environment. Digital twinning provides a potential solution to this problem, as simulators tailored to the current network deployment can generate site-specific data to augment the available training datasets. However, there is a need to develop solutions to bridge the inherent simulation-to-reality (sim-to-real) gap between synthetic and real-world data. This paper reviews recent advances on two complementary strategies: 1) the calibration of digital twins (DTs) through real-world measurements, and 2) the use of sim-to-real gap-aware training strategies to robustly handle residual discrepancies between digital twin-generated and real data. For the latter, we evaluate two conceptually distinct methods that model the sim-to-real gap either at the level of the environment via Bayesian learning or at the level of the training loss via prediction-powered inference. Driven by the continued growth of computing resources and training datasets, artificial intelligence (AI) research is widely considered to be in the scaling era, which is focused on the development of general-purpose models that exhibit emergent capabilities. While this trend has yielded impressive results for many tasks, particularly in the domain of language modeling, it poses unique challenges when applied to engineering domains such as telecommunication networks.
A Digital Twin Framework for Generation-IV Reactors with Reinforcement Learning-Enabled Health-Aware Supervisory Control
Lim, Jasmin Y., Pylorof, Dimitrios, Garcia, Humberto E., Duraisamy, Karthik
Generation IV (Gen-IV) nuclear power plants are envisioned to replace the current reactor fleet, bringing improvements in performance, safety, reliability, and sustainability. However, large cost investments currently inhibit the deployment of these advanced reactor concepts. Digital twins bridge real-world systems with digital tools to reduce costs, enhance decision-making, and boost operational efficiency. In this work, a digital twin framework is designed to operate the Gen-IV Fluoride-salt-cooled High-temperature Reactor, utilizing data-enhanced methods to optimize operational and maintenance policies while adhering to system constraints. The closed-loop framework integrates surrogate modeling, reinforcement learning, and Bayesian inference to streamline end-to-end communication for online regulation and self-adjustment. Reinforcement learning is used to consider component health and degradation to drive the target power generations, with constraints enforced through a Reference Governor control algorithm that ensures compliance with pump flow rate and temperature limits. These input driving modules benefit from detailed online simulations that are assimilated to measurement data with Bayesian filtering. The digital twin is demonstrated in three case studies: a one-year long-term operational period showcasing maintenance planning capabilities, short-term accuracy refinement with high-frequency measurements, and system shock capturing that demonstrates real-time recalibration capabilities when change in boundary conditions. These demonstrations validate robustness for health-aware and constraint-informed nuclear plant operation, with general applicability to other advanced reactor concepts and complex engineering systems.
Multiscale guidance of protein structure prediction with heterogeneous cryo-EM data
Raghu, Rishwanth, Levy, Axel, Wetzstein, Gordon, Zhong, Ellen D.
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 inference-time approach allows us to build atomic models into heterogeneous cryo-EM maps across a variety of dynamic biomolecular systems including transporters and antibodies. Code is available at https://github.com/ml-struct-bio/cryoboltz .
The Unified Cognitive Consciousness Theory for Language Models: Anchoring Semantics, Thresholds of Activation, and Emergent Reasoning
Chang, Edward Y., Kaya, Zeyneb N., Chang, Ethan
We propose semantic anchoring, a unified account of how large language models turn pretrained capacity into goal-directed behavior: external structure (in-context examples, retrieval, or light tuning) binds the model's latent patterns to desired targets. Unified Contextual Control Theory (UCCT) formalizes this via anchoring strength $S = ฯ_d - d_r - \log k$, where $ฯ_d$ measures target cohesion in representation space, $d_r$ measures mismatch from prior knowledge, and $k$ is the anchor budget. UCCT predicts threshold-like performance flips and strictly generalizes in-context learning, reading retrieval and fine-tuning as anchoring variants. Three controlled studies provide evidence. Experiment 1 demonstrates cross-domain anchoring rebinding strong priors in text and vision. Experiment 2 varies representational familiarity via numeral bases (base-10/8/9) at fixed complexity, yielding ordered thresholds and transfer patterns tracking $ฯ_d$, $d_r$, and $S$. Experiment 3 establishes a geometry-to-behavior correlate: layer-wise peak anchoring and trajectory area predict few-shot thresholds $ฮธ_{50}$. UCCT offers testable theory and practical metrics for optimizing prompts, retrieval, and tuning.
Accelerated Execution of Bayesian Neural Networks using a Single Probabilistic Forward Pass and Code Generation
Klein, Bernhard, Selker, Falk, Borras, Hendrik, Steger, Sophie, Pernkopf, Franz, Frรถning, Holger
Machine learning models perform well across domains such as diagnostics, weather forecasting, NLP, and autonomous driving, but their limited uncertainty handling restricts use in safety-critical settings. Traditional neural networks often fail to detect out-of-domain (OOD) data and may output confident yet incorrect predictions. Bayesian neural networks (BNNs) address this by providing probabilistic estimates, but incur high computational cost because predictions require sampling weight distributions and multiple forward passes. The Probabilistic Forward Pass (PFP) offers a highly efficient approximation to Stochastic Variational Inference (SVI) by assuming Gaussian-distributed weights and activations, enabling fully analytic uncertainty propagation and replacing sampling with a single deterministic forward pass. We present an end-to-end pipeline for training, compiling, optimizing, and deploying PFP-based BNNs on embedded ARM CPUs. Using the TVM deep learning compiler, we implement a dedicated library of Gaussian-propagating operators for multilayer perceptrons and convolutional neural networks, combined with manual and automated tuning strategies. Ablation studies show that PFP consistently outperforms SVI in computational efficiency, achieving speedups of up to 4200x for small mini-batches. PFP-BNNs match SVI-BNNs on Dirty-MNIST in accuracy, uncertainty estimation, and OOD detection while greatly reducing compute cost. These results highlight the potential of combining Bayesian approximations with code generation to enable efficient BNN deployment on resource-constrained systems.
Data-driven informative priors for Bayesian inference with quasi-periodic data
Lopez-Santiago, Javier, Martino, Luca, Miguez, Joaquin, Vazquez-Vilar, Gonzalo
Bayesian computational strategies for inference can be inefficient in approximating the posterior distribution in models that exhibit some form of periodicity. This is because the probability mass of the marginal posterior distribution of the parameter representing the period is usually highly concentrated in a very small region of the parameter space. Therefore, it is necessary to provide as much information as possible to the inference method through the parameter prior distribution. We intend to show that it is possible to construct a prior distribution from the data by fitting a Gaussian process (GP) with a periodic kernel. More specifically, we want to show that it is possible to approximate the marginal posterior distribution of the hyperparameter corresponding to the period in the kernel. Subsequently, this distribution can be used as a prior distribution for the inference method. We use an adaptive importance sampling method to approximate the posterior distribution of the hyperparameters of the GP. Then, we use the marginal posterior distribution of the hyperparameter related to the periodicity in order to construct a prior distribution for the period of the parametric model. This workflow is empirical Bayes, implemented as a modular (cut) transfer of a GP posterior for the period to the parametric model. We applied the proposed methodology to both synthetic and real data. We approximated the posterior distribution of the period of the GP kernel and then passed it forward as a posterior-as-prior with no feedback. Finally, we analyzed its impact on the marginal posterior distribution.
Probabilistic Digital Twin for Misspecified Structural Dynamical Systems via Latent Force Modeling and Bayesian Neural Networks
This work presents a probabilistic digital twin framework for response prediction in dynamical systems governed by misspecified physics. The approach integrates Gaussian Process Latent Force Models (GPLFM) and Bayesian Neural Networks (BNNs) to enable end-to-end uncertainty-aware inference and prediction. In the diagnosis phase, model-form errors (MFEs) are treated as latent input forces to a nominal linear dynamical system and jointly estimated with system states using GPLFM from sensor measurements. A BNN is then trained on posterior samples to learn a probabilistic nonlinear mapping from system states to MFEs, while capturing diagnostic uncertainty. For prognosis, this mapping is used to generate pseudo-measurements, enabling state prediction via Kalman filtering. The framework allows for systematic propagation of uncertainty from diagnosis to prediction, a key capability for trustworthy digital twins. The framework is demonstrated using four nonlinear examples: a single degree of freedom (DOF) oscillator, a multi-DOF system, and two established benchmarks -- the Bouc-Wen hysteretic system and the Silverbox experimental dataset -- highlighting its predictive accuracy and robustness to model misspecification.