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.
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…
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…
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.
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.
DET unifies geometric and functional alignment for high-dimensional scientific data.
problem Challenges in nonrigid registration for high-dimensional, irregular data.
method Domain Elastic Transform (DET) treats data as functions on irregular domains, using a Bayesian framework for elastic motion registration.
result DET achieves 92% topological preservation on MERFISH data and successfully registers whole-embryo Stereo-seq atlases.
New sampling strategy preserves relationships in multivariate scientific data.
problem Reducing storage and enabling efficient multivariate analyses on large scientific data.
method Uses principal component analysis for multivariate data and combines with existing univariate sampling algorithms.
result Efficacy demonstrated on real-world data sets, showing data reduction and multivariate analysis ease.
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.
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…
A new framework for private Bayesian tests maintains interpretability and computational efficiency.
problem Lack of interpretability and inability to quantify evidence in confidential data.
method Differentially private Bayesian tests based on test statistics.
result Established results on Bayes factor consistency under the proposed framework.
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…
CausalEvolve improves efficiency and discovery in open-ended scientific tasks.
problem Lack of targeted guidance and knowledge organization in evolve-based agents.
method Causal scratchpad that identifies and reasons about guiding factors for evolution.
result Effective improvement in evolutionary efficiency and better solutions.
A new algorithm learns causal relationships from multimodal data.
problem Discovering causal relationships in exploratory settings without prior information.
method causalPIMA algorithm using multimodal data and physics constraints.
result Learned causal structure and key features in fully unsupervised settings.
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.
CATA++ improves scientific article recommendations by learning latent spaces with attention.
problem Natural data sparsity limits MF performance in recommender systems.
method CATA++ uses a dual autoencoder with attention to learn latent spaces from content and contextual information.
result CATA++ significantly improves MF performance on real-world datasets.
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.
This study analyzes data science vocabulary changes over 13 years.
problem Understanding evolution of data science terms over time.
method Exploratory Data Analysis, Latent Semantic Analysis, Latent Dirichlet Analysis, N-grams Analysis.
result Identified new vocabulary and its incorporation into scientific literature.
Proposes a new model to handle noisy data in scientific research.
problem Measurement error in noisy data settings.
method Measurement error BART (meBART) integrates measurement error in Bayesian additive regression trees.
result meBART provides more accurate parameter estimation, robust uncertainty quantification, and superior predictive performance.
The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn effective implicit representations from simple input representations. However, fo…
In recent years, the field of machine learning has made phenomenal progress in the pursuit of simulating real-world data generation processes. One notable example of such success is the variational autoencoder (VAE). In this work, with a small shift in perspective, we leverage and adapt VAEs for a different purpose: un…
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.
Accurate estimation of the run time of computational codes has a number of significant advantages for scientific computing. It is required information for optimal resource allocation, improving turnaround times and utilization of science gateways. Furthermore, it allows users to better plan and schedule their research,…
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.
A new MCMC method combines low and high-fidelity models to reduce computation.
problem Inefficient computation of expensive target densities in scientific applications.
method Pseudo-marginal MCMC approach using a telescoping series of low-fidelity models.
result Asymptotically exact multi-fidelity MCMC algorithms for reduced computational cost.
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…
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.
With the rapid adoption of machine learning techniques for large-scale applications in science and engineering comes the convergence of two grand challenges in visualization. First, the utilization of black box models (e.g., deep neural networks) calls for advanced techniques in exploring and interpreting model behavio…
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…
Bayesian DOE accelerates experimental design with improved efficiency.
problem Enhancing experimental design efficiency and reliability.
method Bayesian framework, conditional density estimation, informative data selection.
result Significantly improved computational efficiency of experimental design.
Paper introduces MTGP for engineering tasks with sparse data.
problem Challenges of data sparsity and varying task correlations in engineering.
method Multi-Task Gaussian Processes (MTGP) framework.
result Improves predictive performance and reduces computational costs.
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.
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.
Enhances uncertainty modeling in random PDEs using PINNs and generative models.
problem Uncertainty in complex systems modeled by random PDEs.
method Combines Physics-Informed Neural Networks (PINNs) with generative modeling techniques.
result Systematic control of uncertainty with maintained predictive accuracy.
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.
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.
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.
Paper introduces a bandit-learning method for multifidelity approximations.
problem Efficiently using data of varying fidelities in scientific computation.
method Formulates multifidelity approximation as a modified stochastic bandit problem and proposes AETC algorithm.
result Established optimality of AETC algorithm for multifidelity approximation.
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.
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%.
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…
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…
Dynamic model improves static economics by incorporating time effects.
problem Static economics overlooks time-dependent phenomena, limiting model accuracy.
method Signals-based approach to reinterpret microeconomic theory, using utility function.
result Dynamic models provide better comparisons with empirical observations.
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.