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.
Combines experimental and historical data for robust policy evaluation.
problem Policy evaluation with mixed data sources, especially experimental vs historical.
method Linear integration of estimators from experimental and historical data, optimized for MSE minimization.
result Proposed estimators outperform traditional methods in ridesharing company data.
Theoretical limits show experimental data can falsify but not validate causal estimates from observational studies.
problem Fundamental limits on validating causal estimates using experimental data in observational studies.
method Impossible inference framework, Gaussian Process based approach.
result Experimental data can falsify but not validate causal estimates from observational studies.
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.
GeneDisco benchmarks experimental design for drug discovery.
problem Vast experimental design space in drug discovery.
method Machine learning for optimal experimental design.
result Standardised benchmark suite for active learning.
Observational data is increasingly used as a means for making individual-level causal predictions and intervention recommendations. The foremost challenge of causal inference from observational data is hidden confounding, whose presence cannot be tested in data and can invalidate any causal conclusion. Experimental dat…
Medical imaging systems are commonly assessed by use of objective image quality measures. Supervised deep learning methods have been investigated to implement numerical observers for task-based image quality assessment. However, labeling large amounts of experimental data to train deep neural networks is tedious, expen…
Novel approach to Bayesian experimental design for non-exchangeable data.
problem Optimal experimental design for non-exchangeable data.
method Inside-Out SMC2 algorithm embedded in particle Markov chain Monte Carlo framework. result Efficacy demonstrated on a set of dynamical systems.
The paper improves experimental design by weighting diversity metrics with quality, leading to more diverse and effective discoveries.
problem Existing experimental design techniques favor exploitation over exploration, leading to local optima and insufficient diversity.
method The paper extends Vendi scores to account for quality and applies them to various experimental design problems.
result Quality-weighted Vendi scores allow for better balance between quality and diversity, resulting in 70%-170% more effective discoveries.
Data quality issues have attracted widespread attention due to the negative impacts of dirty data on data mining and machine learning results. The relationship between data quality and the accuracy of results could be applied on the selection of the appropriate algorithm with the consideration of data quality and the d…
Expands experimental design for causal discovery from limited data.
problem Challenges in causal discovery from observational and interventional data.
method Bayesian optimal experimental design incorporating recent advances in causal discovery.
result Active causal discovery of large, nonlinear SCMs with both intervention target and value selection.
Develops experimental design for discovering missing physics in bioreactors.
problem Discovering missing physics in incomplete model structures of process systems.
method Combines universal differential equations and symbolic regression with sequential experimental design.
result Successfully recovered true model structure of a bioreactor using machine learning techniques.
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.
Proteins are commonly used by biochemical industry for numerous processes. Refining these proteins' properties via mutations causes stability effects as well. Accurate computational method to predict how mutations affect protein stability are necessary to facilitate efficient protein design. However, accuracy of predic…
FairBED: A Bayesian Experimental Design Approach to Gathering Fairer Data
problem Ensuring fairness in machine learning
method Bayesian Experimental Design
result Improved fairness-accuracy trade-offs
We consider active learning with logged data, where labeled examples are drawn conditioned on a predetermined logging policy, and the goal is to learn a classifier on the entire population, not just conditioned on the logging policy. Prior work addresses this problem either when only logged data is available, or purely…
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.
New method for selecting data points in deep learning models.
problem Selecting data points for overparameterized deep learning models.
method Proposes a new experimental design strategy for overparameterized regression and interpolation.
result Demonstrates the effectiveness of the new method in single shot deep active learning.
GEAR uses auxiliary data to estimate optimal decisions in studies with limited primary outcomes.
problem Estimating optimal decisions when primary outcomes are not available in experimental samples.
method GEAR uses augmented inverse propensity weighting to estimate optimal decisions based on auxiliary data.
result GEAR estimators and value estimators have established asymptotic properties and are validated in simulations and a real application.
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.
PGAE uses predictions to guide active experimentation.
problem Efficiently guiding experimental sampling based on predictions.
method PGAE framework that combines predictions and actual outcomes.
result PGAE achieves asymptotic optimality and efficiency.
We study how to efficiently estimate average treatment effects (ATEs) using adaptive experiments. In adaptive experiments, experimenters sequentially assign treatments to experimental units while updating treatment assignment probabilities based on past data. We start by defining the efficient treatment-assignment prob…
Model predicts EMF of Ni-Mn-Ga MSMA, improved with GRNN.
problem Predicting the electromotive force (EMF) of Ni-Mn-Ga MSMA under various conditions.
method Developed a new constitutive model for Ni-Mn-Ga single crystals, incorporating magnetic easy axis offset. Used GRNN to enhance model predictions.
result GRNN improves model predictions of EMF, capturing more experimental features.
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…
In PU learning, a binary classifier is trained from positive (P) and unlabeled (U) data without negative (N) data. Although N data is missing, it sometimes outperforms PN learning (i.e., ordinary supervised learning). Hitherto, neither theoretical nor experimental analysis has been given to explain this phenomenon. In …
Optimizes experimental design using synthetic controls for better outcomes.
problem Estimating average treatment effects in studies with pre-treatment data.
method Mixed-integer programming for selecting treated and control units and weights.
result Improves mean squared error and statistical power compared to simple alternatives.
Implicit stochastic models, where the data-generation distribution is intractable but sampling is possible, are ubiquitous in the natural sciences. The models typically have free parameters that need to be inferred from data collected in scientific experiments. A fundamental question is how to design the experiments so…
Combining experimental and observational data for long-term causal effects.
problem Estimating causal effects of treatment on long-term outcomes using mixed data types.
method Three approaches for fusing experimental and observational data: equal confounding, shared confounder, and proxy variables.
result Developed estimators for each approach and analyzed their robustness.
Improves inverse uncertainty quantification for time-dependent data using PCA and deep neural networks.
problem Efficiently quantify model input uncertainties from time-dependent experimental data.
method Functional PCA for dimensionality reduction, deep neural networks for surrogate modeling, Bayesian neural networks for uncertainty estimation.
result The proposed method reduces the computational cost and improves the agreement with experimental data.
Paper optimizes experimental design for estimating treatment effect.
problem Estimating treatment effect with heterogeneous subjects and treatments.
method Adaptive experimental design incorporating bandit learning.
result Demonstrates optimality of proposed adaptive experiment framework.
Bayesian optimization simplifies bioprocess engineering experiments.
problem Complex biological systems and experimental uncertainty.
method Adapts classical Bayesian optimization for bioprocess engineering.
result Provides accessible introduction to Bayesian optimization for practitioners.
Operator learning approximates complex mappings for PDEs and experimental data.
problem Approximating mappings between infinite-dimensional function spaces for scientific computing.
method Formalizing operator learning as function-to-function regression and incorporating physical constraints.
result Development of rigorous uncertainty quantification frameworks for operator learning.
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.
Estimates personalized policies robust to shifts in target populations.
problem Estimating policies that perform well in diverse target populations.
method Develops methods for estimating robust policies considering shifts in outcomes and characteristics.
result Welfare-maximizing policies are robust to certain shifts in potential outcomes.
Enhances robustness in experimental design through Generalised Bayesian inference.
problem Poor inference and estimates of information gain when statistical model is incorrectly specified.
method Generalised Bayesian (Gibbs) inference framework applied to experimental design.
result GBOED enhances robustness to outliers and incorrect assumptions about noise distribution.
Step-DAD improves BED by periodically updating a design policy during experiments.
problem Improving flexibility and robustness in Bayesian experimental design.
method Semi-amortized, policy-based approach that updates a design policy during data collection.
result Consistently superior decision-making and robustness compared to current BED methods.
This paper uses bandit algorithms to reduce the cost of user interface experimentation in online retail.
problem Reducing the cost of user interface experimentation in online retail.
method Modeling user interface experimentation as an opportunistic bandit problem, reducing the cost of exploration.
result Significant regret reduction and improved contextual information for testing.
Paper proposes a method to use in silico experiments with foundation models to reduce sample size.
problem Costly and uncertain randomized experiments.
method Integrates predictions from multiple foundation models with experimental data.
result Estimator offers substantial precision gains, equivalent to a 20% reduction in sample size.
DAD learns to design experiments quickly, outperforming traditional methods.
problem Real-time decision-making in sequential Bayesian experimental design.
method Amortized design network trained with contrastive information bounds.
result DAD outperforms alternative strategies on various problems.
New method minimizes experiment cost while maintaining accuracy.
problem Minimizing cost in experiments with interference or other concerns.
method Synthetically Controlled Thompson Sampling (SCTS).
result Minimizes regret and maintains inferential ability.
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.
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.
New method uses approximate KLD for intractable likelihood models.
problem Designing experiments for models with intractable likelihoods.
method Derive a lower bound of KLD utility, express it in terms of entropies, and evaluate efficiently.
result Demonstrated the performance of the proposed method through numerical examples.
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 method optimizes experiments under constraints.
problem Adapting BED to dynamic constraints in real-world tasks.
method Offline pre-training of an amortized policy and posterior network with online multi-step lookahead planning.
result Significantly more informative design sequences than existing methods.
In the majority of molecular optimization tasks, predictive machine learning (ML) models are limited due to the unavailability and cost of generating big experimental datasets on the specific task. To circumvent this limitation, ML models are trained on big theoretical datasets or experimental indicators of molecular s…
New algorithm for adaptive experimental design in scientific settings.
problem Identifying true positives while controlling false discoveries in adaptive experimental design.
method Provably sample efficient adaptive algorithm for FDR control.
result First provably sample efficient adaptive algorithm for adaptive experimental design.
The study examines how experimental design choices affect machine learning model performance.
problem Lack of guidelines on choosing experimental designs and machine learning models.
method 12 experimental designs, 7 families of predictive models, 7 test functions, 8 noise settings.
result Guidelines for practical applications of DOE and ML are provided.