New deep learning method simplifies parameter estimation design.
problem Optimal experimental design for parameter estimation with non-linear systems.
method Training a deep network as a Likelihood Free Estimator to simplify design process.
result Deep design improves parameter recovery quality and simplifies design process.
A new method for experimental design focuses on predicting downstream quantities of interest.
problem Designs that maximize parameter learning may not maximize downstream quantity prediction.
method Likelihood-free goal-oriented optimal experimental design (LF-GO-OED) using ABC density ratio estimation.
result LF-GO-OED maximizes the expected information gain for downstream quantities.
GoBOED optimizes experiments for specific decision-making objectives, improving downstream outcomes.
problem Reducing parameter uncertainty does not always improve decision-making in critical settings.
method Combines variational posterior surrogate and differentiable convex decision layer for gradient-based design optimization.
result GoBOED identifies designs that better align with specific decision objectives and reveals wider optimal design windows.
PIED optimizes experimental design for inverse problems using physics-informed neural networks.
problem Optimizing experimental design for inverse problems with limited budget and constraints.
method PIED uses physics-informed neural networks (PINNs) for continuous optimization of design parameters in one-shot deployments.
result PIED significantly outperforms existing ED methods in solving inverse problems, including unknown functions.
New method combines experimental and observational data for causal inference.
problem Combining internal validity of experiments and larger sample sizes of observations.
method Empirical risk minimization (ERM) framework with cross-validation.
result Efficacy and reliability demonstrated on real and synthetic data.
Automates fitting semiconductor device models using approximate Bayesian computation.
problem Manual tuning of parameters for fitting TFT models to experimental data is inefficient and prone to errors.
method Approximate Bayesian Computation (aBc) for generating posterior distributions of estimated parameters.
result The proposed method accurately predicts model parameters from mobility curves using gradient boosted trees.
Optimizes experimental designs for intractable models using mutual information bounds.
problem Finding optimal experimental designs for models with intractable data-generating distributions.
method Maximizes mutual information lower bounds parametrized by neural networks, updating network parameters and designs simultaneously.
result Framework enables experimental design for various tasks including parameter estimation and model discrimination.
Novel approach to learn CTBNs from data with minimal interventions.
problem Learning CTBNs from time-course data with limited resources.
method Variational approximation of expected information gain for experimental design.
result Semi-analytical expression for structure and parameter learning.
Contrastive learning simplifies statistical inference for complex models.
problem Computational intractability of likelihood functions for certain models.
method Contrastive learning as an alternative for parameter estimation and inference.
result Contrastive learning enables practical methods for diverse statistical problems.
Study analyzes Echo State Network parameters for Rossler attractor dynamics.
problem Understanding the influence of network type on Echo State Network performance.
method Experimental analysis of Echo State Network parameters using Rossler attractor.
result Exploration of how network type affects Echo State Network performance.
GO-OED maximizes predictive information gain on nonlinear QoIs.
problem Maximizing information gain on nonlinear predictive quantities.
method Nested Monte Carlo estimator, Markov chain Monte Carlo, kernel density estimation, Bayesian optimization.
result GO-OED outperforms conventional OED in nonlinear settings.
Simplified identification methods for causal inference with arbitrary interventional distributions.
problem Estimating cause-effect relationships from data with experimental interventions.
method Using Single World Intervention Graphs and nested model factorization, we provide algorithms for identifying causal parameters from mixed observational and interventional distributions.
result Our algorithms are complete for certain types of interventional marginal distributions.
New method uses neural networks to optimize experimental designs for complex models.
problem Designing experiments for complex, intractable models with high computational cost.
method Neural mutual information estimation for mutual information maximization.
result Optimal experimental designs and posterior inference can be jointly determined.
We introduce two approaches for combining neural evolution strategy (NES) and proximal policy optimization (PPO): parameter transfer and parameter space noise. Parameter transfer is a PPO agent with parameters transferred from a NES agent. Parameter space noise is to directly add noise to the PPO agent`s parameters. We…
vsOED optimizes experiment design with reinforcement learning for Bayesian models.
problem Optimizing the sequence of experiments in Bayesian models for efficient data collection.
method Reinforcement learning with variational posterior approximations to optimize design policy.
result vsOED achieves superior sample efficiency compared to existing methods.
Bayesian adaptive designs can be biased by active learning, especially with misspecified models.
problem Active learning bias in Bayesian adaptive experimental designs.
method Analysis of linear and preference learning models, empirical testing.
result Model misspecification and noise influence active learning bias in Bayesian designs.
JADAI optimizes design and inference for parameter estimation.
problem Parameter estimation with active optimization of design variables.
method Jointly trains a policy, history network, and inference network to minimize posterior error.
result Achieves superior or competitive performance across benchmarks.
The report analyzes Legendre decomposition for tensor data.
problem Finding effective lower dimensional representations of tensors.
method Theoretical analysis of dual parameters and dually flat manifold properties, followed by experimental verification and clustering.
result Parameters on submanifold cannot be directly used as low-rank representations.
Novel framework optimizes experiments for implicit models using mutual information.
problem Optimizing experiments for intractable implicit models.
method Sequential Bayesian Experimental Design using Mutual Information.
result Framework efficiently estimates parameters with few iterations.
The paper provides a method to minimize regret in estimate-then-optimize decision-making.
problem Errors in estimation lead to sub-optimal decisions in data-driven decision-making.
method A novel bound on regret for smooth and unconstrained optimization problems, followed by experimental design to minimize this regret.
result A general procedure for experimental design to minimize regret resulting from estimate-then-optimize.
Proposes a method for training Bayesian neural networks using synthetic data from Raman and CARS spectra.
problem Limited real observations in Raman and CARS spectroscopy.
method Log-Gaussian Gamma Processes and Bayesian Neural Networks.
result Trained Bayesian neural networks provide accurate estimates of Raman and CARS spectra with uncertainty quantification.
Improved nuclear cross section fitting with weighted Levenberg-Marquardt method.
problem Challenging optimization in multichannel nuclear cross section data.
method Weighted Levenberg-Marquardt algorithm with Fisher Information Metric.
result More physically consistent fits for raw and smoothed datasets.
GPR enhances materials discovery by automating parameter space exploration.
problem Automating exploration of large, high-dimensional parameter spaces in materials science.
method Gaussian process regression with inhomogeneous measurement noise and anisotropic kernels.
result Importance and benefits of tuning GPR for materials science experiments.
Recent work has introduced a simple numerical method for solving partial differential equations (PDEs) with deep neural networks (DNNs). This paper reviews and extends the method while applying it to analyze one of the most fundamental features in numerical PDEs and nonlinear analysis: irregular solutions. First, the S…
Study reduces complexity and uncertainty in human atrial cell models.
problem Uncertainty in parameter estimates from gating kinetics models.
method Approximate Bayesian computation to re-calibrate models, investigate two approaches: more complete datasets and less complex formulations.
result Less complex model with fewer parameters gives better fit and lower uncertainty.
This work formalizes and extends parameter sharing in multi-agent reinforcement learning.
problem Parameter sharing limits multi-agent learning to a single policy, preventing different tasks or action spaces.
method Introduces agent indication and extends parameter sharing to heterogeneous observation and action spaces.
result Proves convergence to optimal policies for parameter sharing in heterogeneous environments.
Paper compares different models for time-to-event analysis.
problem Comparing models for time-to-event analysis.
method Experimental comparison of semi-parametric, parametric, and machine learning models.
result Models' performance evaluated using concordance index.
New method learns from non-uniform data and partial physical knowledge.
problem Identifying dynamical systems from non-uniformly sampled data.
method Physics-informed neural networks integrating numerical integration methods.
result Learning unknown kinetic rates and estimating parameters from non-uniform data.
New BED method handles online inference for partially observed dynamical systems.
problem Optimizing data collection for partially observable, partially online dynamical systems.
method Derived estimators of expected information gain and its gradient for SSMs, using nested particle filters.
result Successfully handles both partial observability and online inference in realistic models.
Derives exact gradients for linear optics with single photons.
problem Gradient estimation for linear optics with single photons.
method Generalized parameter shift rule for linear optics.
result Derives analytical formula for gradients in linear optics.
Paper proposes an unbiased optimization method for Bayesian experimental design.
problem Maximizing expected information gain in Bayesian experimental design.
method Randomized multilevel Monte Carlo (MLMC) method combined with stochastic gradient descent.
result An unbiased estimator for the gradient of expected information gain.
Many applications require that we learn the parameters of a model from data. EM is a method used to learn the parameters of probabilistic models for which the data for some of the variables in the models is either missing or hidden. There are instances in which this method is slow to converge. Therefore, several accele…
Deep learning estimates time-varying Markov model parameters.
problem Estimating time-dependent parameters in Markov models.
method Reframes parameter estimation as an optimization problem using maximum likelihood.
result Real solution close to SDE with neural network-derived parameters under specific conditions.
With higher-order neighborhood information of graph network, the accuracy of graph representation learning classification can be significantly improved. However, the current higher order graph convolutional network has a large number of parameters and high computational complexity. Therefore, we propose a Hybrid Lower …
Researchers compute large quantum invariants for 3-manifolds.
problem Computing large values of Turaev-Viro invariants for 3-manifolds.
method Optimized backtracking algorithm, lattice point counting, preprocessing strategy, multi-precision arithmetics.
result Experimentally verified improvements over state-of-the-art implementations, supporting volume conjecture.
The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general mathematical framework and an algorithmic approach for optimal experimental design wi…
Bayesian DOE accelerates experimental design with improved efficiency.
problem Enhancing experimental design efficiency and reliability.
method Bayesian framework, conditional density estimation, informative data selection.
result Significantly improved computational efficiency of experimental design.
The scientific method relies on the iterated processes of inference and inquiry. The inference phase consists of selecting the most probable models based on the available data; whereas the inquiry phase consists of using what is known about the models to select the most relevant experiment. Optimizing inquiry involves …
We report a general technique to study a given experimental time series with superstatistics. Crucial for the applicability of the superstatistics concept is the existence of a parameter β that fluctuates on a large time scale as compared to the other time scales of the complex system under consideration. The propose…
Study shows not all ML models are uniquely identifiable from data.
problem Identifiability issues in machine learning models.
method Investigated through a case study on gait dynamics using a bipedal-spring mass model.
result Some parameters can be identified, but others remain unidentifiable.
In AI research and industry, machine learning is the most widely used tool. One of the most important machine learning algorithms is Gradient Boosting Decision Tree, i.e. GBDT whose training process needs considerable computational resources and time. To shorten GBDT training time, many works tried to apply GBDT on Par…
Graph neural networks predict solid-state NMR parameters from atomic structures.
problem Efficiently predicting NMR parameters from atomic structures for complex materials.
method Graph neural networks applied to tensor quantities for anisotropic magnetic shielding and electric field gradient.
result Improved accuracy in predicting NMR properties from diverse and complex materials.
Bayesian method improves parameter reconstruction from many measurements.
problem Efficiently reconstructing parameters from many experimental measurements.
method Bayesian target-vector optimization considering all model outputs.
result Outperforms established optimization methods in accuracy and efficiency.
Optical scatterometry is a method to measure the size and shape of periodic micro- or nanostructures on surfaces. For this purpose the geometry parameters of the structures are obtained by reproducing experimental measurement results through numerical simulations. We compare the performance of Bayesian optimization to …
PrIU optimizes machine learning model updates after data cleaning.
problem Incrementally updating machine learning models after removing problematic training samples.
method Provenance-based approach for efficient model parameter updates.
result PrIU-opt achieves up to two orders of magnitude speed-up compared to retraining from scratch.
We examine two different techniques for parameter averaging in GAN training. Moving Average (MA) computes the time-average of parameters, whereas Exponential Moving Average (EMA) computes an exponentially discounted sum. Whilst MA is known to lead to convergence in bilinear settings, we provide the -- to our knowledge …
Recent developments have established the vulnerability of deep reinforcement learning to policy manipulation attacks via intentionally perturbed inputs, known as adversarial examples. In this work, we propose a technique for mitigation of such attacks based on addition of noise to the parameter space of deep reinforcem…
This work introduces a new regularization method that improves sparsity and generalization.
problem Improving sparsity and generalization in machine learning models.
method Formulates a dynamic regularizer with an informative prior to improve sparsity.
result The proposed regularizer shows better results in inducing sparsity and improving generalization compared to existing methods.