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.
Why do nations produce scientific research? This is a fundamental problem in the field of social studies of science. The paper confronts this question here by showing vital determinants of science to explain the sources of social power and wealth creation by nations. Firstly, this study suggests a new general definitio…
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…
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.
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…
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.
Researchers often summarize their work in the form of posters. Posters provide a coherent and efficient way to convey core ideas from scientific papers. Generating a good scientific poster, however, is a complex and time consuming cognitive task, since such posters need to be readable, informative, and visually aesthet…
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.
New approach uses interpolation models and error bounds for verifiable scientific machine learning.
problem Challenges in verifying and validating modern scientific machine learning workflows.
method Combines multiple standard interpolation techniques with error bounds for efficient computation and comparative performance analysis.
result Error bounds for interpolation techniques can be computed or estimated efficiently, aiding in validation goals.
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 …
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.
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.
Study uses machine learning to predict predator-prey dynamics without prior knowledge.
problem Predicting predator-prey interactions without prior knowledge of the system.
method Applied Neural Ordinary Differential Equations (Neural ODEs) and Universal Differential Equations (UDEs) to the Lotka-Volterra model.
result UDEs outperform Neural ODEs in predicting predator-prey dynamics, especially in noisy data.
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.
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…
Study improves interpretability in generative models by disentangling latent variables in scientific datasets.
problem Extracting generative factors from complex, high-dimensional datasets in unsupervised or semi-supervised settings.
method Introducing Aux-VAE, a novel architecture within the VAE framework, which disentangles latent variables by guiding them with auxiliary variables.
result Aux-VAE achieves disentanglement with minimal modifications to the standard VAE loss function, validated on multiple datasets.
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.
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…
There is significant interest in using modern neural networks for scientific applications due to their effectiveness in modeling highly complex, non-linear problems in a data-driven fashion. However, a common challenge is to verify the scientific plausibility or validity of outputs predicted by a neural network. This w…
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.
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.
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.
Since time immemorial, people have been looking for ways to organize scientific knowledge into some systems to facilitate search and discovery of new ideas. The problem was partially solved in the pre-Internet era using library classifications, but nowadays it is nearly impossible to classify all scientific and popular…
Scientific Computing relies on executing computer algorithms coded in some programming languages. Given a particular available hardware, algorithms speed is a crucial factor. There are many scientific computing environments used to code such algorithms. Matlab is one of the most tremendously successful and widespread s…
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.
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.
PDBAL targets experiments for probabilistic models to maximize insights.
problem Designing experiments to yield valuable insights efficiently.
method Combines user-specified risk function with probabilistic model to adaptively choose designs.
result PDBAL consistently outperforms standard approaches in simulations and real-world drug screen data.
Hurd's career overview and publications listed.
problem None explicitly stated in the abstract.
method Not applicable as it's an introduction.
result No specific key result mentioned.
Prior work finds a diversity paradox: diversity breeds innovation, and yet, underrepresented groups that diversify organizations have less successful careers within them. Does the diversity paradox hold for scientists as well? We study this by utilizing a near-population of ~1.2 million US doctoral recipients from 1977…
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%.
SpaCE tackles spatial confounding in scientific studies.
problem Spatial confounding influences treatment and outcome, leading to spurious associations.
method Introduces SpaCE toolkit for benchmark datasets and tools to evaluate causal inference methods.
result Facilitates automated evaluation of machine learning and causal inference models.
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…
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.
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 …
Develops a Bayesian framework for symbolic regression of scientific expressions.
problem Lack of principled uncertainty quantification and interpretability in existing symbolic regression methods.
method Hierarchical Bayesian framework with tree-structured symbolic expressions and Markov chain Monte Carlo inference.
result Robust performance on various datasets, including single-atom catalysis.
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…
EduQG generates better educational questions by pre-training on scientific text.
problem Improving the quality of educational questions for scalable self-assessment.
method Adapting a large language model for educational question generation, pre-trained on scientific text.
result EduQG produces superior educational questions compared to baseline models.
The paper clarifies conditions for using benchmark scores in machine learning.
problem Using benchmark scores to draw scientific inferences about learning problems.
method Developing conditions of construct validity inspired by psychological measurement theory.
result Clarifies conditions under which benchmark scores support diverse scientific claims.
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.
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.
Economics does not need a scientific revolution. Economics needs accurate measurements according to high standards of natural sciences and meticulous work on revealing empirical relationships between measured variables.
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.
Model learns code representations from comments for data analysis tasks.
problem Lack of descriptive labels for analyzing large code corpora.
method Weakly supervised transformer architecture for joint code and comment representation.
result Model achieves 38% accuracy increase over expert-supplied heuristics.
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.
Paper optimizes training data distribution for better model performance across various deployment conditions.
problem Improving model accuracy when deployed with parameters far from training data.
method Developed adaptive algorithms based on bilevel or alternating optimization in the space of probability measures.
result Optimized training distributions lead to models with improved sample complexity and robustness to distribution shift.
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…
PIMA autoencoders discover shared features in multimodal scientific data.
problem Discovering shared information in high-throughput scientific datasets.
method Physics-informed multimodal autoencoders (PIMA) with Gaussian mixture prior and product of experts formulation.
result Accurate cross-modal inference between images and mechanical stress-strain response in lattice metamaterials.