Paper presents a new validation method for simulation workflow.
problem Validation of simulation workflow is challenging and domain-dependent.
method Empirical learning-based validation procedure using AHP and machine learning.
result Validation procedure is semi-automated and efficient.
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.
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.
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.
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.
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
Study evaluates deep learning methods for dermatology, finding they perform poorly under non-ideal conditions.
problem Lack of robustness of deep learning methods in dermatology under real-world conditions.
method Simulated non-ideal conditions on user-submitted dermatology images.
result Deep learning methods show significant drop in accuracy and prediction changes under non-ideal conditions.
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.
Workflow uses deep learning to improve geosteering accuracy in Goliat Field.
problem Uncertainty in geological models and forward simulations affects real-time estimations.
method Offline DNN training, online FlexIES with probabilistic estimation.
result Median probabilistic estimation matches proprietary inversion.
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.
Study uses non-invasive sensors to assess microbial contamination in green salads.
problem Assessing microbial contamination in ready-to-eat green salads.
method Unified spectra analysis workflow with data normalization, feature selection, and partial least squares regression.
result Unified workflow provides efficient estimation of microbial contamination and shelf life.
bioLeak addresses data leakage in biomedical machine learning studies.
problem Data leakage causes optimistic bias in machine learning models for biomedical studies.
method bioLeak provides leakage-aware resampling workflows and model audits in R.
result The package supports various machine learning tasks and can detect leakage mechanisms.
Proposes PCS framework for veridical data science results.
problem Ensuring reliable, reproducible, and transparent data science results.
method PCS workflow with predictability, computability, and stability principles.
result PCS inference procedures demonstrate favorable performance in high-dimensional simulations.
A new method predicts oil movement in reservoirs using deep learning.
problem Assessing dynamics of multiphase fluid flow in oil reservoirs.
method Metamodel based on Variational Autoencoder and Recurrent Neural Network.
result The Metamodel accurately predicts flow rates, pressure, and fluid saturations.
fastml guards against data leakage in automated machine learning.
problem Data leakage during preprocessing before resampling inflates apparent performance.
method fastml uses guarded resampling to re-estimate preprocessing inside each resample.
result Guarded resampling reduces apparent performance compared to global preprocessing.
Differentiable pipeline replaces non-differentiable CAE components for shape optimization.
problem Gradient-based optimization is limited by non-differentiable components in CAE workflows.
method Surrogate models replace non-differentiable pipeline components, enabling gradient-based optimization.
result Gradient-based shape optimization possible without differentiable solvers.
Survey connects XAI and surrogate modeling for better understanding of complex systems.
problem Opaque surrogate models hide input-output relationships, hindering decision-making.
method Synthesizes XAI techniques with surrogate modeling workflows.
result Surrogate models can be made more interpretable using XAI methods.
CogFormer trains a transformer to estimate parameters across various cognitive models.
problem Difficulty in fitting complex cognitive models and iterating over varying assumptions.
method Meta-amortized framework using a transformer to estimate parameters across multiple models.
result CogFormer accurately estimates parameters across different model families with minimal retraining.
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.
ConDiSim uses diffusion models to approximate complex system posteriors efficiently.
problem Simulation-based inference of systems with intractable likelihoods.
method Conditional diffusion model with forward and reverse processes.
result Effective posterior approximation across various benchmark and real-world problems.
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.
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.
Develops workflow for synthetic insurance datasets.
problem Lack of realistic publicly available insurance datasets.
method Uses CTGAN neural network architecture to generate tabular data.
result Synthesized datasets evaluated positively in multiple aspects.
HyperStream processes streaming data with workflow creation.
problem Processing large-scale, real-time data challenges.
method Python-based workflow engine for flexible, robust data processing.
result Overcomes limitations of other computational engines.
Helix speeds up iterative ML development by optimizing workflow execution.
problem Inefficient manual tuning of ML workflows.
method Declarative system that optimizes workflow execution end-to-end and across iterations, minimizing runtime per iteration.
result Up to an order of magnitude reduction in cumulative run time compared to state-of-the-art tools.
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…
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…
Study validates ML-UQ calibration statistics using simulated reference values.
problem Validation of ML-UQ calibration statistics is lacking due to lack of predefined reference values.
method Proposed validation workflow using simulated reference values derived from synthetic datasets.
result Some statistics, like CC and ENCE, are overly sensitive to generative distribution choice.
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.
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.
FinMaster benchmarks LLMs in financial tasks, revealing gaps in reasoning.
problem Challenges in financial tasks, including labor-intensive processes and low error tolerance.
method Developed a comprehensive financial benchmark (FinMaster) with three modules: FinSim, FinSuite, and FinEval.
result LLMs struggle with complex financial reasoning, showing significant accuracy drops.
Paper proposes an active learning method for surgical workflow recognition using long-range temporal dependency.
problem Challenges in automatic surgical workflow recognition due to lack of large-scale labelled datasets.
method NL-RCNet with non-local block for capturing long-range temporal dependency and intra-clip dependency score for selection.
result Our approach outperforms state-of-the-art methods by selecting only 50% of samples for training.
SBI uses neural networks to infer model parameters from simulators.
problem Computational infeasibility of Bayesian inference for complex models.
method Training neural networks on simulator-generated data.
result Efficient Bayesian inference without likelihood evaluations.
A new beta-VAE based regression model accelerates oilfield optimization studies.
problem Computational expense of full-physics reservoir simulations.
method beta-VAE for interpretable latent space representation, probabilistic dense layers for uncertainty quantification.
result Interpretable latent representation and quantified uncertainty for optimization decisions.
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.
Geostatistical modeling of petrophysical properties is a key step in modern integrated oil and gas reservoir studies. Recently, generative adversarial networks (GAN) have been shown to be a successful method for generating unconditional simulations of pore- and reservoir-scale models. This contribution leverages the di…
Testing (conditional) independence of multivariate random variables is a task central to statistical inference and modelling in general - though unfortunately one for which to date there does not exist a practicable workflow. State-of-art workflows suffer from the need for heuristic or subjective manual choices, high c…
This thesis builds a real-time VaR calculation workflow for crypto derivatives.
problem Managing risk in volatile cryptocurrency markets.
method Applied EMWA, GARCH, and HAR models to forecast volatility; used delta-gamma-theta approach and Cornish-Fisher expansion.
result Real-time VaR estimates with millisecond calculation latencies.
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.
CMPE improves SBI efficiency and accuracy.
problem Efficiently infer parameters of complex simulation models.
method CMPE is a new conditional sampler that distills a continuous probability flow.
result CMPE outperforms current state-of-the-art algorithms on hard low-dimensional benchmarks and competitive on high-dimensional problems.
DeepPhase uses deep learning to recognize surgical phases in cataract surgery videos.
problem Automating surgical workflow analysis for better standardization and post-surgical assessment.
method Deep learning for instrument detection and phase classification in cataract surgery videos.
result DeepPhase models achieve 99% accuracy in instrument detection and 78% in phase recognition.
Automates feature extraction for IMU-based activity recognition.
problem Manual feature engineering is time-consuming and limits IMU-based applications.
method FRESH algorithm for automated feature extraction.
result Workflow automates feature extraction from synchronized IMU sensors.
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.
New method predicts wind farm power and wakes using weather patterns.
problem Inefficient and computationally intensive wind energy resource assessment.
method Unsupervised clustering of ERA5 data on wind velocity, WRF simulations at cluster centers, and post-processing.
result Accurate long-term predictions of power and wakes with reduced computational time.
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.
The paper proposes a ML workflow for B2B sales prediction.
problem Predicting business to business sales outcomes using subjective human evaluations.
method A two-pipeline ML approach on Azure ML, including data enrichment and model training.
result ML predictions improve accuracy and increase sales value.