Reduced order modeling of energetic materials using physics-aware neural networks.
problem Simulating complex spatiotemporal dynamics in energetic materials.
method Physics-aware recurrent convolutions (PARC) combined with latent space projection to accelerate model training and inference.
result Significant decrease in training and inference time with comparable accuracy.
Gaussian processes enhance EO with accurate and uncertain predictions.
problem Challenges in GP models for EO, including data-driven physics and causal inference.
method Data-driven physics-aware models respecting signal characteristics and physical laws.
result GP models need to evolve for better EO applications.
Unified framework for forward and inverse PDE problems in multiphase media.
problem Non-differentiable inverse problems in discrete-valued material fields.
method GenPANIS: Latent-variable generative framework preserving discrete microstructures.
result Unified bidirectional inference with minimal labeled pairs and physics-aware decoder.
PANIS learns PDE surrogates for heterogeneous materials without solving the PDE.
problem Learning surrogates for parametrized PDEs in heterogeneous media.
method Physics-aware neural implicit solvers combining probabilistic learning and physics-informed discretization.
result Learned surrogates for effective solutions in heterogeneous materials without solving the reference problem.
The paper develops a physics-aware method for modeling multiscale dynamics with reduced data.
problem Discovering effective, lower-dimensional models for high-dimensional dynamical systems.
method Probabilistic deep neural networks incorporating physical constraints.
result The method reduces the need for extensive multiscale simulations (Small Data regime).
Bayesian Entropy Neural Networks enforce constraints on deep learning predictions.
problem Deep learning models lack well-defined constraints in their outputs.
method Bayesian Entropy Neural Networks (BENN) using Maximum Entropy principles and the method of multipliers.
result BENN improves model robustness and reliability across various applications.
Compact models learn photocurrent dynamics from radiation-induced excess carrier density.
problem Accurate but computationally expensive physics-based photocurrent models for semiconductor devices.
method Dynamic Mode Decomposition (DMD) for learning reduced order models from internal state data.
result Physics-aware, compact delayed photocurrent models accurately approximate internal excess carrier dynamics.
Framework uses physics knowledge to improve spatiotemporal prediction with limited data.
problem Challenges in modeling physical systems with limited real-world data.
method Physics-aware meta-learning with auxiliary tasks, incorporating PDE-independent spatial and temporal modules.
result Framework outperforms in spatiotemporal prediction tasks with limited data.
Single model learns physics from diverse data.
problem Lack of universal physics models for diverse applications.
method General Physics Transformer (GPhyT) trained on diverse physics data.
result Single model achieves superior performance across multiple physics domains.
The automated construction of coarse-grained models represents a pivotal component in computer simulation of physical systems and is a key enabler in various analysis and design tasks related to uncertainty quantification. Pertinent methods are severely inhibited by the high-dimension of the parametric input and the li…
Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the lack of a standard b…
A key problem in computational material science deals with understanding the effect of material distribution (i.e., microstructure) on material performance. The challenge is to synthesize microstructures, given a finite number of microstructure images, and/or some physical invariances that the microstructure exhibits. …
This work develops machine learning for micromagnetic energy minimization.
problem Minimizing Gibbs free energy in full 3D micromagnetic simulations.
method Advanced machine learning techniques, including Physics-Informed Neural Networks (PINNs) and Extreme Learning Machines (ELMs), with reformulated bounds and optimization schemes.
result Competitive performance of machine learning methods compared to traditional numerical approaches.
A GPU-based workflow for building physics emulators of hypersonic flows
problem Resolving complex physical phenomena in hypersonic flows
method Fully GPU-based workflow integrating accelerated data generation and neural emulators
result Physics emulators remain reliable beyond their training distribution
Proposes a transformer model with geostatistical inductive bias for spatio-temporal forecasting.
problem Combining probabilistic rigor of geostatistics with flexible deep learning representations.
method Spatially-informed transformer with learnable covariance kernel.
result Successfully recovers spatial decay parameters end-to-end via backpropagation.
Generative framework learns effective, lower-dimensional models from high-dimensional data.
problem Predicting long-term behavior of complex, multiscale systems with limited data.
method Physics-aware probabilistic model order reduction with latent variables.
result Guaranteed long-term stability and predictive accuracy in multiscale physical systems.
Physics-informed neural networks improve surrogate modeling of turbulent Rayleigh-Bénard convection.
problem Modeling turbulent Rayleigh-Bénard convection with high accuracy and efficiency.
method Physics-informed neural networks (PINNs) with novel padding and regularization techniques.
result Significantly improved predictive accuracy of surrogate models at high Rayleigh numbers Ra = 2 × 10^9.
Inference models are a key component in scaling variational inference to deep latent variable models, most notably as encoder networks in variational auto-encoders (VAEs). By replacing conventional optimization-based inference with a learned model, inference is amortized over data examples and therefore more computatio…
Approximate probabilistic inference algorithms are central to many fields. Examples include sequential Monte Carlo inference in robotics, variational inference in machine learning, and Markov chain Monte Carlo inference in statistics. A key problem faced by practitioners is measuring the accuracy of an approximate infe…
This work frames active inference through control as inference, offering robust control algorithms.
problem Active inference framework lacks practical sensorimotor control algorithms.
method Frame active inference through control as inference, presenting trajectory optimization as inference.
result AI may be framed as partially-observed CaI when the cost function is defined in observation states.
Simformer uses transformer models to perform flexible Bayesian inference.
problem Current simulation-based inference methods are inflexible and require fixed priors.
method Trains a probabilistic diffusion model with transformer architectures.
result Outperforms state-of-the-art methods on various benchmarks.
Improved Bayesian inference for neuronal ensemble inference reduces computational cost.
problem Efficient inference of neuronal ensembles from activity data.
method Modified MCMC algorithm with simulated annealing for hyperparameter control.
result Our method reduces computational cost while maintaining or improving inference accuracy.
Adding metadata abruptly changes network inference outcomes.
problem Understanding the impact of metadata on network inference.
method Investigated the effect of metadata on network inference problems.
result Metadata causes abrupt transitions in inference outcomes.
SNVI combines likelihood estimation with variational inference for efficient Bayesian inference.
problem Bayesian inference in models with intractable likelihoods.
method Sequential Neural Variational Inference (SNVI) that combines likelihood-estimation with variational inference.
result SNVI is more computationally efficient than previous algorithms without sacrificing accuracy.
Paper introduces a diagnostic for approximate inference methods.
problem Estimating errors in probabilistic inference algorithms, especially for approximate methods.
method Repeatedly simulate datasets from the prior and perform inference on each, estimating a symmetric KL-divergence.
result A diagnostic for approximate inference methods can be estimated using symmetric KL-divergence.
Probabilistic inference procedures are usually coded painstakingly from scratch, for each target model and each inference algorithm. We reduce this effort by generating inference procedures from models automatically. We make this code generation modular by decomposing inference algorithms into reusable program-to-progr…
Recent efforts on combining deep models with probabilistic graphical models are promising in providing flexible models that are also easy to interpret. We propose a variational message-passing algorithm for variational inference in such models. We make three contributions. First, we propose structured inference network…
A new method for safer statistical inference after predictions.
problem Statistical inference with pseudo-outcomes from machine learning predictions.
method Prediction De-Correlated Inference (PDC) framework.
result PDC consistently outperforms supervised methods and can adapt to any model.
Bayesian interpolants explain neural network inferences concisely.
problem Understanding neural network inferences.
method Adapting Craig interpolants for neural networks.
result Produces precise, understandable explanations.
Variational inference provides a powerful tool for approximate probabilistic in- ference on complex, structured models. Typical variational inference methods, however, require to use inference networks with computationally tractable proba- bility density functions. This largely limits the design and implementation of v…
New comparison shows differences in how value is incorporated in AIF and CAI.
problem Clarifying the relationship between Active Inference and Control-as-Inference.
method Formal comparison of AIF and CAI frameworks.
result Primary difference is how value is incorporated into generative models.
Paper shows how to infer hidden states in neural networks analytically.
problem Intractability of Bayesian inference for neural networks.
method Leverage tractable approximate Gaussian inference (TAGI) for hidden states inference.
result Demonstrates inference of hidden states through constraints for various applications.
Variational Inference shows promise for Bayesian GARCH model estimation.
problem Bayesian estimation of GARCH-family models using Monte Carlo sampling.
method Variational Inference as an alternative to Monte Carlo sampling.
result Variational Inference is a reliable and competitive method for Bayesian learning in GARCH-like models.
Post-ADC inference corrects bias in statistical inference after active data collection.
problem Bias in inference after active data collection.
method Post-ADC inference framework that corrects bias from both ADC process and data-driven target construction.
result Valid inference for data collected by SMBO methods like GP-UCB and TPE.
A new particle algorithm improves mean-field variational inference.
problem Efficiently approximating nonparametric posterior distributions in machine learning.
method Introduces PArticle VI (PAVI), a novel particle-based algorithm for nonparametric mean-field approximation.
result Obtains non-asymptotic error bounds for PArticle VI, providing the first end-to-end guarantee for particle-based MFVI.
Meta-learn Bayesian inference for task-specific BNNs using amortised inference.
problem Efficiently learning Bayesian inference for small-scale probabilistic meta-learning.
method Replace global inducing points with actual data to create a set of approximate likelihoods, train a meta-model to learn these parameters across related datasets.
result Meta-learned inference can be applied to task-specific BNNs, improving efficiency and scalability.
Posterior inference in directed graphical models is commonly done using a probabilistic encoder (a.k.a inference model) conditioned on the input. Often this inference model is trained jointly with the probabilistic decoder (a.k.a generator model). If probabilistic encoder encounters complexities during training (e.g. s…
Bayesian method infers contextual bandit policies robustly.
problem Inference of contextual bandit policies in small sample sizes.
method Empirical likelihood for Bayesian inference.
result Accurate uncertainty measurements and policy comparison.
Exact selective inference with randomization for Gaussian regression models.
problem Exact selective inference in Gaussian regression models.
method Introduces a pivot for exact selective inference with randomization, reducing the problem to a bivariate truncated Gaussian distribution.
result Our pivot leads to exact inference and produces narrower confidence intervals than related methods.
Recent work used importance sampling ideas for better variational bounds on likelihoods. We clarify the applicability of these ideas to pure probabilistic inference, by showing the resulting Importance Weighted Variational Inference (IWVI) technique is an instance of augmented variational inference, thus identifying th…
BOED improves SBI by optimizing experimental designs and inference functions.
problem Efficiently use experimental resources for better inference on complex models.
method Link mutual information bounds between SBI and BOED, optimizing both design and inference.
result BOED improves inference in real-world simulators in epidemiology and biology.
Valid inference from data and predictions.
problem Valid statistical inference with machine learning predictions.
method Framework for valid inference using machine learning predictions.
result Valid confidence intervals without assumptions on predictions.
EFI automates statistical inference for big data.
problem Statistical inference for model parameters based on observations.
method EFI uses stochastic gradient Markov chain Monte Carlo and sparse deep neural networks.
result EFI provides higher fidelity in parameter estimation and automates the inference process.
Derives time-averaged active inference from control principles.
problem Finite-horizon or discounted-surprise problems in active inference.
method Derives infinite-horizon, average-surprise active inference from optimal control principles.
result Unified objective functional for sensorimotor control.
UA-SABI uses surrogates to speed up Bayesian inference for expensive models.
problem Inference for computationally expensive models is slow and uncertain.
method Combines surrogate modeling with Amortized Bayesian Inference (ABI) to propagate uncertainties.
result Reliable, fast, and repeated Bayesian inference for expensive models is achieved.
Adversarial robustness of amortized Bayesian inference is studied, showing it can be improved.
problem Adversarial robustness of amortized Bayesian inference.
method Simulation-based estimation, regularization scheme based on Fisher information.
result Adversarial robustness can be improved with a regularization scheme.
Probabilistic models can handle causal inference without special tools.
problem Confusion over necessary tools for causal inference.
method Demonstrated through concrete examples that causal questions can be answered using standard probabilistic models.
result Causal questions can be addressed using standard probabilistic modelling and inference.
New method uses EKI for efficient Bayesian inference in high-dimensional problems.
problem Efficient inference for high-dimensional posterior distributions in physics-informed neural networks.
method Ensemble Kalman Inversion (EKI) for high-dimensional posterior inference.
result EKI-based inference provides comparable uncertainty estimates to HMC-based methods but with reduced computational cost.