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…
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48 results for “scientific disciplines”
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…
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.
This article examines five common misunderstandings about case-study research: (1) Theoretical knowledge is more valuable than practical knowledge; (2) One cannot generalize from a single case, therefore the single case study cannot contribute to scientific development; (3) The case study is most useful for generating …
Deep learning (DL), a new-generation of artificial neural network research, has transformed industries, daily lives and various scientific disciplines in recent years. DL represents significant progress in the ability of neural networks to automatically engineer problem-relevant features and capture highly complex data…
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…
The term "interpretability" is oftenly used by machine learning researchers each with their own intuitive understanding of it. There is no universal well agreed upon definition of interpretability in machine learning. As any type of science discipline is mainly driven by the set of formulated questions rather than by d…
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%.
Figures are an important channel for scientific communication, used to express complex ideas, models and data in ways that words cannot. However, this visual information is mostly ignored in analyses of the scientific literature. In this paper, we demonstrate the utility of using scientific figures as markers of knowle…
Paper develops an attention mechanism for long-term scientific impact prediction.
problem Predicting the long-term impact of scientific papers based on citation records.
method Develops an attention mechanism to predict long-term scientific impact.
result Emphasizing the limited attention can better stand on the shoulders of giants.
The scientific literature is a rich source of information for data mining with conceptual knowledge graphs; the open science movement has enriched this literature with complementary source code that implements scientific models. To exploit this new resource, we construct a knowledge graph using unsupervised learning me…
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.
FreB protocol uses AI to infer hidden parameters with valid confidence regions.
problem Generating biased or overconfident conclusions from AI-generated posterior distributions.
method Frequentist-Bayes (FreB) protocol reshapes AI-generated posterior distributions into valid confidence regions.
result FreB provides valid confidence regions that consistently include true parameters with expected probability.
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.
SGNNs use simulations to train neural networks, improving scientific forecasting and interpretability.
problem Combining precise theory and machine learning for robust scientific modeling.
method Pretraining neural networks on diverse mechanistic simulations as training data.
result SGNNs outperform data-driven and physics-constrained models in forecasting and interpretability.
Introducing CausalBench: A Flexible Benchmark Framework for Causal Analysis and Machine Learningcs.LG
CausalBench aims to advance causal learning research with a transparent platform.
problem Lack of unified benchmark datasets, algorithms, metrics, and evaluation interfaces for causal learning.
method Introduces CausalBench, a flexible benchmark framework for causal analysis and machine learning.
result Promotes scientific collaboration, reproducibility, and awareness in causal learning research.
Finding a good compromise between the exploitation of known resources and the exploration of unknown, but potentially more profitable choices, is a general problem, which arises in many different scientific disciplines. We propose a stylized model for these exploration-exploitation situations, including population or e…
Literature analysis facilitates researchers better understanding the development of science and technology. The conventional literature analysis focuses on the topics, authors, abstracts, keywords, references, etc., and rarely pays attention to the content of papers. In the field of machine learning, the involved metho…
Novel algorithm detects causal macrovariables from high-dimensional data.
problem Leveraging high-dimensional observational datasets for coarse-grained causal models.
method Inspired by information bottlenecks, novel algorithm detects macrovariables and investigates causal relationships through additive noise models.
result Algorithm robustly detects and infers causal relationships in both synthetic and real climate datasets.
AWD distills neural network info into interpretable wavelets.
problem Imbalanced interpretability and efficiency in deep learning models.
method Adaptive wavelet distillation (AWD) penalizes neural network attributions in wavelet domain.
result AWD yields a concise, efficient, and interpretable model.
Bayesian emulator tackles models with discontinuities efficiently.
problem Uncertainty quantification of models with multiple discontinuities.
method TENSE framework, designed correlation structures, single emulator object.
result Efficient emulation of complex models with multiple discontinuities.
Meaningful uncertainties from deep neural network surrogates of large-scale numerical simulationsstat.ML
Deep neural networks provide meaningful uncertainty estimates for large-scale simulations.
problem Uncertainty estimates for deep neural network predictions from large-scale simulations.
method General variational inference approach to calibrate Bayesian uncertainties.
result Calibrated Bayesian uncertainties preserved physics-correlations in predicted quantities.
TCR simplifies complex models into interpretable causal factors.
problem Understanding complex phenomena in high-dimensional models.
method Information theoretic objective for learning TCR from interventional data.
result TCR generates interpretable high-level explanations from complex models.
A new method selects features for ERGMs to improve network modeling.
problem ERGM degeneracy creates unrealistic network structures.
method Stochastic step-wise feature selection to overcome computational burden and improve network accommodation.
result Enhanced ERGM modeling with more accurate interpretations.
Functionals involving surface curvature are important across a range of scientific disciplines, and their extrema are representative of physically meaningful objects such as atomic lattices and biomembranes. Inspired in particular by the relationship of the Willmore energy to lipid bilayers, we consider a general funct…
Demand outstrips available resources in most situations, which gives rise to competition, interaction and learning. In this article, we review a broad spectrum of multi-agent models of competition (El Farol Bar problem, Minority Game, Kolkata Paise Restaurant problem, Stable marriage problem, Parking space problem and …
Integrating Scientific Knowledge with Machine Learning for Engineering and Environmental Systemsphysics.comp-ph
Paper integrates ML with physics models for engineering and environmental challenges.
problem Complex science and engineering problems require new methodologies combining physics-based models and ML.
method Structured overview of integrating physics-based models with ML techniques.
result Taxonomy of existing techniques and potential research gaps identified.
Machine learning methods such as convolutional neural networks (CNNs) are becoming an integral part of scientific research in many disciplines, spatial vector data often fail to be analyzed using these powerful learning methods because of its irregularities. With the aid of graph Fourier transform and convolution theor…
New method integrates computer models from different disciplines with better predictive performance.
problem Integration of multi-disciplinary computer models with distinct complexities and computation times.
method Developed a linked deep Gaussian process (DGP) method that integrates individual Gaussian process emulators in a network.
result Linked deep Gaussian process emulators outperform standard LGP emulators and single DGPs fitted to the network as a whole.
In many scientific disciplines structures in high-dimensional data have to be found, e.g., in stellar spectra, in genome data, or in face recognition tasks. In this work we present a novel approach to non-linear dimensionality reduction. It is based on fitting K-nearest neighbor regression to the unsupervised regressio…
Variable selection in high dimensional space has challenged many contemporary statistical problems from many frontiers of scientific disciplines. Recent technology advance has made it possible to collect a huge amount of covariate information such as microarray, proteomic and SNP data via bioimaging technology while ob…
In this paper, we present a new approach to time series forecasting. Time series data are prevalent in many scientific and engineering disciplines. Time series forecasting is a crucial task in modeling time series data, and is an important area of machine learning. In this work we developed a novel method that employs …
Leveraging advances in machine learning for the robust classification and interpretation of networkscs.SI
Machine learning improves network classification and model selection.
problem Quantifying suitability of generative models for network structures.
method Interpretable machine learning to classify simulated networks based on features and interactions.
result Specific network features and their interactions are crucial for distinguishing generative models.
A novel clustering method uses torque balance to group objects.
problem Grouping similar objects in various scientific fields.
method Inspired by gravitational interactions, a parameter-free clustering algorithm based on mass and distance.
result The algorithm effectively clusters objects regardless of their shape, size, or density.
The problem of hierarchical clustering items from pairwise similarities is found across various scientific disciplines, from biology to networking. Often, applications of clustering techniques are limited by the cost of obtaining similarities between pairs of items. While prior work has been developed to reconstruct cl…
New method reconstructs hidden structures from noisy data.
problem Resurrecting hidden structures from incomplete or distorted data.
method Integrates Atiyah--Molino framework and Hantjies tensor.
result Exceptional robustness in noisy conditions with error-bounded reconstructions.
The paper aims to improve reproducibility of machine learning experiments.
problem Lack of reproducibility in machine learning experiments.
method Investigates factors affecting reproducibility and proposes FAIR data practices.
result Preliminary results show the role of ProvBook in capturing and comparing provenance.
Complex computer simulations are commonly required for accurate data modelling in many scientific disciplines, making statistical inference challenging due to the intractability of the likelihood evaluation for the observed data. Furthermore, sometimes one is interested on inference drawn over a subset of the generativ…
New method reduces density estimation variance for multivariate data.
problem Efficient multivariate density estimation with reduced dimensionality.
method Variance-Reduced Sketching (VRS) framework for multivariate density estimation.
result VRS framework significantly improves density estimation over existing methods.
Was Benoit Mandelbrot a hedgehog or a fox?physics.soc-ph
Mandelbrot unified diverse fields with scaling concept.
problem Understanding Mandelbrot's intellectual approach.
method Tracing Mandelbrot's contributions across math, physics, and economics.
result Scaling concept unified Mandelbrot's diverse work.
The MAXENT principle helps merge datasets to infer causal effects.
problem Inferring causal effects from unobserved variables.
method Using the maximum entropy principle with causal sufficiency and faithfulness assumptions.
result Identifies causal edges among variables from merged datasets.
New method learns particle system potentials from unlabeled data.
problem Learning potentials of interacting particle systems from unlabeled data with trajectory information missing.
method Introduces a self-test loss function based on stochastic evolution equation.
result Method outperforms baseline methods in robust estimation of large, high-dimensional systems.
The volume of a credal set correlates with epistemic uncertainty in binary classification but not in multi-class.
problem Representing and quantifying epistemic uncertainty in machine learning.
method Examined the geometric representation of credal sets as -dimensional polytopes and their volume as a measure of uncertainty.
result The volume of a credal set is a meaningful measure of epistemic uncertainty in binary classification but not in multi-class.
nn-dependability-kit: Engineering Neural Networks for Safety-Critical Autonomous Driving Systemscs.LG
Can engineering neural networks be approached in a disciplined way similar to how engineers build software for civil aircraft? We present nn-dependability-kit, an open-source toolbox to support safety engineering of neural networks for autonomous driving systems. The rationale behind nn-dependability-kit is to consider…
Doubly robust estimation of causal effects for random object outcomes with continuous treatmentsstat.ME
Paper extends causal inference to non-Euclidean data like images and distributions.
problem Causal inference for non-Euclidean data like images and distributions.
method Hilbert space embeddings, Fréchet mean estimation, nonparametric doubly-debiased causal inference.
result Validated approach for causal inference with continuous treatments on non-Euclidean data.
The false discovery rate (FDR)---the expected fraction of spurious discoveries among all the discoveries---provides a popular statistical assessment of the reproducibility of scientific studies in various disciplines. In this work, we introduce a new method for controlling the FDR in meta-analysis of many decentralized…
Hypothesis testing is one of the most common types of data analysis and forms the backbone of scientific research in many disciplines. Analysis of variance (ANOVA) in particular is used to detect dependence between a categorical and a numerical variable. Here we show how one can carry out this hypothesis test under the…
Spatio-temporal data and processes are prevalent across a wide variety of scientific disciplines. These processes are often characterized by nonlinear time dynamics that include interactions across multiple scales of spatial and temporal variability. The data sets associated with many of these processes are increasing …