Adaptive workflow combines fast amortized inference with MCMC for many datasets.
problem Trade-off between computational speed and sampling accuracy in Bayesian inference.
method Adaptive workflow integrating amortized inference and MCMC with principled diagnostics.
result Efficiency gains with high posterior quality on tens of thousands of datasets.
BayesFlow trains neural networks for fast Bayesian inference.
problem Fast Bayesian inference for complex models.
method Amortized neural networks for intractable posterior distributions.
result Fast inference through pre-trained neural networks.
GSR optimizes tasks in scientific workflows, improving performance across diverse applications.
problem Uncertainty in task selection and evaluation in scientific workflow optimization.
method Generate-Select-Refine (GSR) framework that alternates between task generation and optimization.
result GSR outperforms existing LLM-based optimizers in various scientific applications.
Benchpress streamlines benchmarking structure learning algorithms for probabilistic models.
problem Benchmarking structure learning algorithms for probabilistic graphical models.
method Snakemake workflow for scalable, reproducible benchmarks.
result Demonstrates applicability in five typical data scenarios.
dynestyx: A library for probabilistic programming of dynamical systems
problem integrating state-space models into probabilistic programming languages
method a unified interface for specifying priors and performing inference
result principled uncertainty quantification for state and parameters
BayesFlow 2 speeds up Bayesian inference for complex models.
problem Slow Bayesian inference for complex models.
method Amortized Bayesian inference with neural networks.
result Streamlined workflow supports broad adoption.
A test for sparsity in Bayesian networks helps choose algorithms.
problem Selecting appropriate structure discovery algorithms for Bayesian networks.
method Developed a hypothesis test using the largest eigenvalue of the normalized inverse covariance matrix.
result The hypothesis test can determine if a BN has max in-degree greater than 1.
Gemini uses inexpensive measurements to correct biases in expensive property evaluations.
problem Accurate estimation of materials properties using expensive measurements is hindered in scientific discovery campaigns.
method Gemini is a data-driven model that corrects systematic biases between property evaluation methods using inexpensive measurements.
result Gemini reduces the number of expensive evaluations needed for Bayesian optimization in materials discovery.
Review of priors in Bayesian deep learning models.
problem The importance of prior choices in Bayesian deep learning models.
method Overview of different priors and methods of learning priors from data.
result Motivate practitioners to think carefully about prior specification.
Bayesian hybrid models fuse physics-based insights with machine learning constructs to correct for systematic bias. In this paper, we compare Bayesian hybrid models against physics-based glass-box and Gaussian process black-box surrogate models. We consider ballistic firing as an illustrative case study for a Bayesian …
The two key issues of modern Bayesian statistics are: (i) establishing principled approach for distilling statistical prior that is consistent with the given data from an initial believable scientific prior; and (ii) development of a Bayes-frequentist consolidated data analysis workflow that is more effective than eith…
Machine Learning (ML) has been successfully applied to a wide range of domains and applications. One of the techniques behind most of these successful applications is Ensemble Learning (EL), the field of ML that gave birth to methods such as Random Forests or Boosting. The complexity of applying these techniques togeth…
PRISM infers model structures and parameters from simulations, controlling complexity at test time.
problem Choosing among large model families for scientific discovery.
method Simulation-based encoder-decoder that infers model structures and parameters, with test-time complexity control.
result PRISM scales to large model families and performs model selection in biophysical diffusion MRI.
Unified Bayesian-AI framework improves epidemiological risk prediction and uncertainty quantification.
problem Lack of calibrated uncertainty in machine learning models for epidemiology.
method Combines Bayesian prediction with Bayesian hyperparameter optimization using logistic regression and Gaussian-process Bayesian optimization.
result Unified Bayesian-AI framework provides reliable coverage and improved calibration, enhancing epidemiological decision making.
Simulation workflow is a top-level model for the design and control of simulation process. It connects multiple simulation components with time and interaction restrictions to form a complete simulation system. Before the construction and evaluation of the component models, the validation of upper-layer simulation work…
Bayesian framework for robust model discovery from noisy data.
problem Robust model discovery from noisy, sparse and irregular observations of nonlinear systems.
method Bayesian differential programming using Hamiltonian Monte Carlo and sparsity-promoting priors.
result Efficient inference of posterior distributions over plausible models with quantified uncertainty.
JANA trains networks to approximate Bayesian models efficiently.
problem Intractable likelihood functions and posterior densities in Bayesian models.
method End-to-end training of three networks: summary, posterior, and likelihood networks.
result JANA provides accurate amortized marginal likelihood and posterior predictive estimation.
Paper presents a workflow for reliable unsupervised learning in science.
problem Lack of standardization in unsupervised learning workflows for reproducible scientific discoveries.
method Structured workflow including data preparation, modeling, validation, and communication.
result Illustrates the importance of validation in unsupervised learning.
Enhances Bayesian model comparison with a probabilistic framework for meta-uncertainty.
problem Uncertainty in posterior model probabilities (PMPs) when derived from finite data.
method Develops a fully probabilistic approach to quantify and represent meta-uncertainty over PMPs.
result Demonstrates utility in various BMC contexts, including regression, MCMC, and neural networks.
This paper analyzes machine learning workflows in climate modeling.
problem Challenges in integrating machine learning with climate modeling.
method Analysis of case studies focusing on design patterns and workflow structure.
result Synthesis of workflow design patterns across diverse projects in ML-enabled climate modeling.
Variational inference has become an increasingly attractive fast alternative to Markov chain Monte Carlo methods for approximate Bayesian inference. However, a major obstacle to the widespread use of variational methods is the lack of post-hoc accuracy measures that are both theoretically justified and computationally …
Proposes a new prior for complex models to improve prediction accuracy.
problem Difficulty in specifying priors for complex models like neural networks.
method Predictive complexity priors defined by comparing model predictions to a reference model, transferred to parameters via change of variables.
result Improves model predictions by reducing unintuitive effects of traditional priors.
New neural network models speed up Bayesian multilevel modeling.
problem Complex computational challenges in Bayesian multilevel modeling.
method Probabilistic neural network architectures that leverage multilevel model factorization.
result Efficient posterior inference on unseen datasets with near-instant results.
Generative AI agents improve ERP systems by automating complex financial tasks.
problem Static, rule-based workflows limit adaptability and intelligence in ERP systems.
method Introducing Generative Business Process AI Agents (GBPAs) that integrate generative AI with business process modeling and multi-agent orchestration.
result GBPAs achieve up to 40% reduction in processing time and 94% drop in error rate.
Proposes efficient sensitivity analysis for complex Bayesian models.
problem Inefficiency of sensitivity analyses in complex Bayesian models.
method SA-ABI: weight sharing and neural network rapid inference.
result Efficiently integrates sensitivity analyses into Bayesian inference.
Paper uses transfer learning and Bayesian optimization to reduce DNA sequence design experiments.
problem Designing many similar DNA sequences for specific applications is expensive and time-consuming.
method Combines transfer learning with Bayesian optimization to reduce experiment count.
result Total number of experiments can be significantly reduced by sharing information between tasks.
Researchers found that avoiding synthetic data generation prevents model collapse in machine learning.
problem Model collapse in machine learning where models degenerate over generations.
method Comparing discard and augment workflows, focusing on Linear Regression.
result Theoretical evidence shows that for Linear Regression, test risk is bounded by π²/6 of original data alone.
We present a framework that enables estimation of low-dimensional sub-resolution reservoir properties directly from seismic data, without requiring the solution of a high dimensional seismic inverse problem. Our workflow is based on the Bayesian evidential learning approach and exploits learning the direct relation bet…
Audit financial machine learning workflows to detect spurious predictability.
problem Spurious predictability in financial machine learning models.
method Falsification audit testing predictive workflows against synthetic environments.
result Many apparent financial predictions are artifacts, not genuine.
Bayesian regression underestimates parameter uncertainties in noisy models.
problem Parameter uncertainties are underestimated in Bayesian regression for imperfect models.
method Analyzed and designed an ansatz to correct for misspecification in near-deterministic surrogate models.
result Posterior distributions must cover all training points to avoid divergent generalization error.
Analysis of flow cytometry data is an essential tool for clinical diagnosis of hematological and immunological conditions. Current clinical workflows rely on a manual process called gating to classify cells into their canonical types. This dependence on human annotation limits the rate, reproducibility, and complexity …
A new method to estimate local volatility from high-frequency data.
problem Quantitative trading risk management needs a better way to estimate volatility.
method Realized local volatility surface estimated via high-frequency data and Bayesian nonparametric estimation.
result The method can capture counterfactual volatility and improve risk management.
Bayesian optimization speeds up bioprocess development across scales.
problem Costly and complex bioprocess development across scales and biocatalyst selection.
method Multi-fidelity batch Bayesian optimization framework integrating Gaussian Processes and mixed-variable optimization.
result Reduction in experimental costs and increased yield in bioprocess optimization.
TyXe enables flexible Bayesian neural networks in Pytorch.
problem Uncertainty estimation in neural networks.
method Separates architecture, prior, inference, and likelihood specification; modular choices for priors, guides, and inference techniques.
result Minimal modifications to existing code for Bayesian neural networks.
A new method for releasing AI workflows to avoid premature incorrect results.
problem Statistical challenges in releasing AI workflows with adaptive scoring.
method Wrapper that calibrates and accumulates evidence from high-scoring failures.
result Reduces premature incorrect release while still releasing on moderate evidence.
Machine learning workflow development is anecdotally regarded to be an iterative process of trial-and-error with humans-in-the-loop. However, we are not aware of quantitative evidence corroborating this popular belief. A quantitative characterization of iteration can serve as a benchmark for machine learning workflow d…
Rubin LSST DESC uses AI/ML for dark energy research.
problem Challenges in uncertainty quantification and model robustness for AI/ML in DESC.
method Bayesian inference, physics-informed methods, validation frameworks, active learning.
result AI/ML methods are essential but require rigorous evaluation and governance.
A new method learns posterior and predictive distributions together, reducing computational cost.
problem Sequential two-stage Bayesian inference is computationally expensive.
method Amortized variational inference targeting posterior-predictive distribution.
result Efficient online inference with more accurate predictive distributions.
One of the impediments in advancing actuarial research and developing open source assets for insurance analytics is the lack of realistic publicly available datasets. In this work, we develop a workflow for synthesizing insurance datasets leveraging CTGAN, a recently proposed neural network architecture for generating …
Human-in-the-loop data analysis applications necessitate greater transparency in machine learning models for experts to understand and trust their decisions. To this end, we propose a visual analytics workflow to help data scientists and domain experts explore, diagnose, and understand the decisions made by a binary cl…
GP-NODE combines Gaussian processes and NeuralODEs for Bayesian system identification.
problem Bayesian systems identification from partial, noisy and irregular observations.
method Differentiable programming, Hamiltonian Monte Carlo, Gaussian Process priors, sparsity-promoting priors.
result Efficient inference of posterior distributions over plausible models with quantified uncertainty.
Deep learning model improves seismic rock property estimation.
problem Estimating reservoir rock properties from seismic reflection data.
method Proposes a deep learning-based seismic inversion workflow that models seismic traces spatiotemporally.
result Achieves best performance on SEAM dataset with r2 coefficient of 79.77\% Deep learning speeds up pressure prediction in carbon storage reservoirs.
problem Accurately forecasting reservoir pressure in geologic carbon storage projects with sparse well data.
method Combining InSAR surface displacement data with deep learning and data assimilation techniques.
result Workflow can predict reservoir pressure with high efficiency and uncertainty quantification.
S-VBMC improves VBMC's exploration of complex posterior distributions.
problem Efficient inference for computationally expensive models with complex posterior distributions.
method Stacking multiple independent VBMC runs to create a robust global posterior approximation.
result Significant improvements in posterior approximation quality across various applications.
CausalPFN automates causal effect estimation from observational data.
problem Manual selection of causal effect estimators is time-consuming and requires domain expertise.
method CausalPFN is a transformer that learns to infer causal effects from raw observations without task-specific adjustments.
result CausalPFN achieves superior performance on various benchmarks and real-world tasks.
Unified framework for hybrid learning and optimization via active inference.
problem Sequential decisions in black-box evaluations requiring both task improvement and uncertainty reduction.
method Pragmatic Curiosity (PraC) framework that evaluates queries by balancing information gain and pragmatic value.
result Unified approach reduces decision risk and improves coverage of critical regions without task-specific rules.
The present study provides a comparative assessment of non-invasive sensors as means of estimating the microbial contamination and time-on-shelf (i.e. storage time) of leafy green vegetables, using a novel unified spectra analysis workflow. Two fresh ready-to-eat green salads were used in the context of this study for …
The exponential growth of complex data demands fully automatic clustering. Gaussian mixture models (GMMs) provide uncertainty-aware grouping but often require expertise to specify hyperparameters, e.g., component count and covariance structure. While mclust (R) automates this via Bayesian Information Criterion (BIC), P…