Machine learning methods have been remarkably successful for a wide range of application areas in the extraction of essential information from data. An exciting and relatively recent development is the uptake of machine learning in the natural sciences, where the major goal is to obtain novel scientific insights and di…
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48 results for “scientific applications”
Exploring Generative Physics Models with Scientific Priors in Inertial Confinement Fusionphysics.comp-ph
This work uses scientific constraints to validate neural network predictions in fusion physics.
problem Verifying the scientific plausibility of neural network predictions in fusion physics.
method Using known scientific constraints as a validation tool.
result Validated neural network predictions in fusion physics using scientific constraints.
Selected papersmath.DG
Before retiring, looking back to forty years of writing and publishing scientific papers, I decided to present to the scientific community a selection of my scientific works. I chose mostly articles published in prestigious journals or Proceedings that made a certain impact in the scientific world. I have selected thir…
xVal tokenizes numbers continuously for better scientific model training.
problem Lack of continuous numerical tokenization for scientific datasets in LLMs.
method xVal: Continuous numerical tokenization strategy.
result xVal outperforms other numerical tokenization methods on scientific datasets.
Blockchain technology, and more specifically Bitcoin (one of its foremost applications), have been receiving increasing attention in the scientific community. The first publications with Bitcoin as a topic, can be traced back to 2012. In spite of this short time span, the production magnitude (1162 papers) makes it nec…
Data science models, although successful in a number of commercial domains, have had limited applicability in scientific problems involving complex physical phenomena. Theory-guided data science (TGDS) is an emerging paradigm that aims to leverage the wealth of scientific knowledge for improving the effectiveness of da…
Machine learning techniques are being applied to scientific fields, showing promise and challenges.
problem Applying machine learning to scientific data poses challenges in universality and robustness.
method Critical analysis of anomaly detection techniques, focusing on data universality, robustness, and transferability.
result Machine learning techniques show potential but also present domain-specific challenges.
Evidence shows that in a significant number of cases the current methods of research do not allow for reproducible and falsifiable procedures of scientific investigation. As a consequence, the majority of critical decisions at all levels, from personal investment choices to overreaching global policies, rely on some va…
New AI approach improves quantum device calibration by leveraging prior scientific discoveries.
problem Lack of abundant data in scientific disciplines hinders model generalizability.
method Introduces a new machine learning approach that combines prior scientific knowledge with data.
result Accuracy in predicting quantum device energy spectrum surpasses current state-of-the-art by over 20%.
Survey of deep learning models for scientific discovery.
problem Identifying which scientific problems are most suitable for deep learning.
method Overview of deep learning models, tasks, training methods, and techniques.
result Helps accelerate deep learning use in scientific domains.
This thesis advances algorithms and software for QMC, GP, and sciML.
problem Efficient high-dimensional integration, interpolation, and PDE modeling.
method Developed new algorithms and software for QMC, GP, and sciML.
result Efficient and accurate methods for high-dimensional problems.
Scientific documents rely on both mathematics and text to communicate ideas. Inspired by the topical correspondence between mathematical equations and word contexts observed in scientific texts, we propose a novel topic model that jointly generates mathematical equations and their surrounding text (TopicEq). Using an e…
In this paper, we introduce a novel framework for combining scientific knowledge within physics-based models and recurrent neural networks to advance scientific discovery in many dynamical systems. We will first describe the use of outputs from physics-based models in learning a hybrid-physics-data model. Then, we furt…
Uncertainty Quantification for Physics-Informed Neural Networks with Extended Fiducial Inferencestat.ML
New method for PINNs uncertainty quantification without prior distribution.
problem Lack of reliable uncertainty quantification for PINNs.
method Extended fiducial inference with narrow-neck hyper-network.
result Construction of honest confidence sets based on observed data.
There has been a lot of recent interest in adopting machine learning methods for scientific and engineering applications. This has in large part been inspired by recent successes and advances in the domains of Natural Language Processing (NLP) and Image Classification (IC). However, scientific and engineering problems …
Building high accuracy emulators for scientific simulations with deep neural architecture searchstat.ML
Fast emulators built with neural search accelerate expensive scientific simulations.
problem Slow execution of accurate simulations limits scientific discovery.
method Neural architecture search to build accurate emulators with limited data.
result Simulations accelerated by up to 2 billion times in various scientific fields.
iKF method uncovers complex variable interactions for scientific discovery.
problem Limited interpretability of existing models in decision-making applications.
method Iterative Kings' Forests (iKF) method to uncover multi-order interactions.
result iKF provides strong interpretive power for explainable modeling.
Differentiable programming aids in solving differential equations and their sensitivities.
problem Computing gradients of numerical solutions of differential equations.
method Review of existing techniques and mathematical foundations.
result Established a coherent framework for combining differential equations with data-driven approaches.
SOS-VAE improves generative models for scientific applications by correcting decoder bias.
problem Bias in generative parameters due to supervised learning in VAEs.
method Develops SOS-VAE framework to influence decoder for predictive latent representation.
result Ensures reliable generative parameters for scientific applications.
This paper introduces a framework for combining scientific knowledge of physics-based models with neural networks to advance scientific discovery. This framework, termed physics-guided neural networks (PGNN), leverages the output of physics-based model simulations along with observational features in a hybrid modeling …
SVGP KAN integrates sparse variational GP with KANs for scalable probabilistic inference.
problem Lack of probabilistic outputs in standard KANs and cubic scaling of Gaussian Process methods.
method Sparse Variational GP-KAN combines KAN topology with sparse variational inference and permutation-based importance analysis.
result Enables probabilistic KANs to handle larger datasets with linear computational complexity.
Highly comparative time-series analysis: The empirical structure of time series and their methodsphysics.data-an
The process of collecting and organizing sets of observations represents a common theme throughout the history of science. However, despite the ubiquity of scientists measuring, recording, and analyzing the dynamics of different processes, an extensive organization of scientific time-series data and analysis methods ha…
Machine learning improves planetary space physics by incorporating physical knowledge.
problem Improving performance and interpretability of machine learning models for planetary space physics.
method Building on a previous semi-supervised physics-based classification, the team used varying data and physical information to improve machine learning performance and interpretability.
result Incorporating physical knowledge improves machine learning performance and interpretability, essential for deriving scientific meaning.
Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspectivecs.LG
The study explores how machine learning can enhance scientific research.
problem Improving scientific models with machine learning.
method Analysis of data-driven models versus manually added variables in regression.
result Complex models may not always improve over simpler ones in scientific contexts.
Survey of de Casteljau's algorithm's applications in geometric data analysis.
problem No specific problem stated; focuses on algorithm applications.
method Constructive approach to generalize parametric smooth curves to manifolds.
result Algorithm provides principled way to analyze geometric data.
SVGP KAN integrates uncertainty quantification into Kolmogorov-Arnold networks.
problem Uncertainty quantification in scientific machine learning models.
method Sparse variational Gaussian process inference with Kolmogorov-Arnold topology.
result Demonstrated ability to distinguish aleatoric and epistemic uncertainty in various scientific applications.
Machine learning algorithms such as linear regression, SVM and neural network have played an increasingly important role in the process of scientific discovery. However, none of them is both interpretable and accurate on nonlinear datasets. Here we present contextual regression, a method that joins these two desirable …
Automatic classification of scientific articles based on common characteristics is an interesting problem with many applications in digital library and information retrieval systems. Properly organized articles can be useful for automatic generation of taxonomies in scientific writings, textual summarization, efficient…
New insights into ML models' accuracy and generalization for scientific problems.
problem Quantifying accuracy and generalization of ML models in scientific applications.
method Rigorous numerical analysis and theoretical bounds for linear differential equations.
result Different ML models can have opposing generalization behaviors, contrary to intuition.
Unified framework connects physical laws and machine learning.
problem Combining physical laws and machine learning for scientific applications.
method Universal Differential Equations (UDEs) as a unifying framework.
result Wide variety of applications can be efficiently handled through UDE formalism.
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.
Method predicts rarity of image features to support research integrity investigations.
problem Difficulty in determining if image reuse is by chance or intentional.
method Statistical estimation of ORB features' chance occurrence across PubMed Open Access Subset dataset.
result The method produces decreasingly smaller p-values for more complex imagery, supporting null hypothesis.
Proposes DCNAR for dynamic causal inference from neural time series.
problem Uncertainty and evolution of causal structure in real-world domains.
method Two-stage neural causal modeling integrating discovery and inference.
result Dynamic causal inferences are more stable and meaningful than alternatives.
BoTier optimizes experiments by balancing multiple objectives hierarchically.
problem Balancing multiple competing objectives in scientific experiments.
method Composite objective that flexibly represents a hierarchy of preferences over outcomes and parameters.
result Demonstrates robust applicability across various use cases and seamless integration.
Galactica learns from scientific literature to help researchers.
problem Information overload in scientific literature makes it hard to find useful insights.
method Trained on a large corpus of scientific papers, reference material, and knowledge bases.
result Outperforms existing models on various scientific tasks, including LaTeX equations and mathematical reasoning.
Citizen science projects are successful at gathering rich datasets for various applications. However, the data collected by citizen scientists are often biased --- in particular, aligned more with the citizens' preferences than with scientific objectives. We propose the Shift Compensation Network (SCN), an end-to-end l…
In the quest to align deep learning with the sciences to address calls for rigor, safety, and interpretability in machine learning systems, this contribution identifies key missing pieces: the stages of hypothesis formulation and testing, as well as statistical and systematic uncertainty estimation -- core tenets of th…
Social media enhances or diminishes scientific status, depending on usage.
problem Impact of social media on scientific stratification and mobility.
method Logistic Attribution Analysis combining statistical and machine learning methods.
result Social media promotes stratification and mobility, but beyond a threshold, it negatively impacts status.
A new method for designing accurate emulators using deep learning with interval calibration.
problem Designing accurate emulators for scientific processes with modern machine learning methods.
method Learn-by-Calibrating (LbC) approach based on interval calibration.
result Significant improvements in generalization error over widely-used loss functions.
Probabilistic programming languages (PPLs) are receiving widespread attention for performing Bayesian inference in complex generative models. However, applications to science remain limited because of the impracticability of rewriting complex scientific simulators in a PPL, the computational cost of inference, and the …
PropEn uses matching to create a larger dataset for efficient design optimization.
problem Limited data and complex landscapes in scientific applications.
method PropEn uses a matching approach to implicitly guide design without a discriminator.
result PropEn efficiently approximates the gradient of property improvement within the data distribution.
Posterior inference with an intractable likelihood is becoming an increasingly common task in scientific domains which rely on sophisticated computer simulations. Typically, these forward models do not admit tractable densities forcing practitioners to make use of approximations. This work introduces a novel approach t…
ParaMonte: A high-performance serial/parallel Monte Carlo simulation library for C, C++, Fortrancs.MS
ParaMonte simplifies Monte Carlo simulations for various scientific fields.
problem Efficiently performing Monte Carlo simulations for complex models.
method Unified, high-performance, parallelized library for C, C++, Fortran.
result Automates and streamlines Monte Carlo sampling for arbitrary-dimensional functions.
HollowFlow speeds up likelihood evaluation for large-scale models.
problem Prohibitive scaling of sample likelihood computations in flow-based models.
method Introduces HollowFlow, a flow-based generative model using a NoBGNN with a block-diagonal Jacobian structure.
result Achieves up to O(n^2) speed-up in likelihood evaluation for large systems.
Paper proposes a method to estimate scientific parameters in hybrid models without relying on model architecture.
problem Estimating unknown parameters in hybrid models combining machine learning and scientific models.
method Sharpness-aware minimization adapted for hybrid modeling, focusing on model simplicity.
result Demonstrates effectiveness of SAM-based hybrid model learning for scientific parameter estimation.
AutoSciDACT: Automated Scientific Discovery through Contrastive Embedding and Hypothesis Testingcs.LG
AutoSciDACT detects scientific anomalies in noisy data.
problem Detecting anomalies in large, noisy scientific datasets.
method Contrastive pre-training for low-dimensional data representations, two-sample test using NPLM.
result Strong sensitivity to small anomalies across various scientific domains.
MDNs offer a data-efficient alternative to diffusion and flow models for multimodal scientific learning.
problem Capturing multimodal conditional uncertainty in scientific inverse problems.
method Mixture Density Networks (MDNs) as explicit parametric density estimators.
result MDNs achieve superior generalization, interpretability, and sample efficiency in scientific tasks.
New framework compresses and recovers scientific data efficiently.
problem Efficiently managing and recovering from large scientific datasets.
method Grounded in learning exponential families, preserves uncertainty and supports trade-offs.
result Preserves physical features and quantities of interest in compressed representations.