AI learns to perform experiments on objects to discover their properties.
problem Teaching AI to perform scientific experiments and infer physical properties.
method Deep reinforcement learning in a simulated environment.
result AI can learn to perform experiments to discover hidden physical properties.
Introduces hacking intervals to ensure robustness in scientific results.
problem Tendency to choose data analysis specifications favoring hypotheses.
method Introduces hacking intervals to address researcher biases.
result Scientific results with smaller hacking intervals are more robust to manipulation.
Scalable solution for interpreting complex data-driven models.
problem Interpreting black box models and handling large datasets.
method Streaming neighborhood graph construction, topology computation, and data aggregation.
result Interactive exploration of high-dimensional data.
New framework reveals thermodynamic principles for LLM training.
problem Understanding the training dynamics of large language models.
method Introducing Neural Thermodynamic Laws (NTL) under river-valley loss landscape assumptions.
result Key thermodynamic quantities and principles naturally emerge in LLM training.
Financial economics provides intuition for the Rényi divergence.
problem Lack of practical intuition for statistical concepts like Rényi divergence.
method Using financial economics to transform disagreements into investment opportunities.
result The Rényi divergence's practical performance quantifies disagreement.
Accelerates materials optimization with data-driven models.
problem Optimizing materials with high-dimensional parameters.
method Data-driven experimental design with uncertainty analysis.
result Optimal candidate found with 3x fewer measurements.
Machine learning interpretability needs a scientific approach, not just tools.
problem Lack of a universal definition and scientific approach in machine learning interpretability.
method Propose interpretability as a scientific discipline with specific questions.
result Interpretability should be a set of questions rather than a specific tool.
We describe a new method for visualizing topics, the distributions over terms that are automatically extracted from large text corpora using latent variable models. Our method finds significant n-grams related to a topic, which are then used to help understand and interpret the underlying distribution. Compared with …
The thesis tackles overconfident approximations in simulation-based inference.
problem Overconfident conclusions from machine learning approximations in statistical analyses.
method Introduces balancing and Bayesian neural networks to reduce overconfidence.
result Balancing and Bayesian neural networks lead to less overconfident approximations.
Neural Shadow-Mapping uncovers causal links in dynamic systems.
problem Discovering causal structures in dynamic systems with mirage correlations.
method Neural network based method embedding high-dimensional data into a shadow representation for causal link estimation.
result Demonstrates performance in discovering causal links from video-representations of dynamic 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 d-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.
Gryffin optimizes categorical variables in materials design, leveraging expert knowledge.
problem Optimizing categorical variables in complex design choices like molecule selection.
method Bayesian optimization with smooth approximations to categorical distributions, incorporating expert knowledge.
result Gryffin accelerates discovery of promising molecules and materials, highlighting relevant correlations.
TGDS integrates scientific theory into data science for better model interpretation and discovery.
problem Limited applicability of data science models in scientific problems involving complex phenomena.
method Integrating scientific theory into data science models to improve model effectiveness and interpretability.
result TGDS aims to advance scientific understanding by discovering novel insights.
The importance of considering the volumes to analyze stock prices movements can be considered as a well-accepted practice in the financial area. However, when we look at the scientific production in this field, we still cannot find a unified model that includes volume and price variations for stock assessment purposes.…
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.
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.
Crowdsourcing can improve scientific investigation by enabling reproducibility and transparency.
problem Current research methods lack reproducibility and transparency, leading to unreliable decisions.
method Next-generation investigative approach leveraging human diversity, micro-specialized crowds, and computer-assisted control methods.
result The Theory of Enablers provides specific cognitive and non-cognitive enablers for crowd-based scientific investigation.
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.
Paper learns to generate scientific posters from papers.
problem Generating readable, informative, and visually aesthetic scientific posters is challenging.
method Data-driven framework using graphical models to learn poster elements.
result Model effectively synthesizes graphical elements for posters.
BPR matches NN accuracy in crop classification while being more transparent.
problem Lack of auditability and alignment with domain knowledge in neural networks for high-dimensional climate data.
method Bagged polynomial regression with random projections (BPR), averaging many low-degree polynomial models.
result BPR matches neural networks in accuracy but is more transparent.
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.
Extract keyphrases and relations from scientific documents.
problem Understanding which publications describe which processes, tasks, and materials.
method Evaluated 26 submissions across 3 scenarios.
result Task and findings relevant for researchers and information extraction communities.
Machine learning aids scientific discoveries by explaining complex data.
problem Extracting scientific insights from complex data.
method Combining machine learning with domain knowledge for transparency, interpretability, and explainability.
result Enhanced scientific consistency through machine learning and domain knowledge integration.
Visuals in scientific papers are used to express complex ideas; this study uses them to identify knowledge domains.
problem Scientific figures are underutilized in literature analysis.
method Encoded scientific figures into visual signatures and used distances between signatures to compare communities of practice.
result Figures can differentiate knowledge domains as effectively as text or citation patterns.
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.
The study reveals nations drive scientific research for social and economic interests.
problem Why do nations produce scientific research?
method Synthesizes previous concepts of science and scientific research, defines them, and identifies key drivers.
result Scientific research is driven by nations' social and economic interests, not just for philosophical inquiries.
Paper discovers governing equations from data using differential invariants.
problem Discovering partial differential equations from data is challenging.
method The paper proposes a pipeline based on differential invariants to reduce the search space and adhere to symmetry.
result DI-SINDy method outperforms other symmetry-informed methods in PDE discovery.
TopicEq model generates equations and text from scientific papers.
problem Communicating ideas in scientific texts using both mathematics and text.
method Joint topic and equation generation model using correlated topic model and RNN.
result Joint model outperforms existing topic and equation models for scientific texts.
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.
Neural SDEs model continuous sequences using neural networks.
problem Modeling continuous-time dynamics in sequence data.
method Interprets time-series as samples from a continuous dynamical system, parameterized by Neural SDE.
result Demonstrates superior performance in diverse sequence modeling tasks.
This work shows how evaluation metrics can be seen as fair gambles.
problem The relationship and evaluation of machine learning forecasts.
method Using game-theoretic probability, the authors show evaluation metrics as fair gambles.
result Standard evaluation metrics are fair gambler outcomes, with calibration and regret metrics on two dimensions.
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.
Study examines scientific research on Bitcoin across various disciplines.
problem Limited time but large number of papers on Bitcoin.
method Bibliometric analysis of papers indexed in Web of Science Core Collection.
result Observes research clusters, emerging topics, and leading scholars.
ESN enhances forecasting for nonlinear spatio-temporal data.
problem Forecasting nonlinear spatio-temporal processes efficiently.
method Enhanced ESN machine learning approach.
result Reasonable uncertainty quantification for long-lead forecasts.
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.
A theory of deep learning is emerging, focusing on training dynamics and statistics.
problem Develop a scientific theory to understand deep learning.
method Synthesize research into five areas: idealized settings, tractable limits, mathematical laws, hyperparameters, and universal behaviors.
result The emerging theory is a mechanics of the learning process, named learning mechanics.
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.
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…
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.
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.
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.
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.
Convolutional neural networks win SemEval-2017 for scientific relation extraction.
problem Extracting relations between scientific concepts from scholarly articles.
method Convolutional neural network model for relation extraction.
result Ranked first in SemEval-2017 Task 10 for relation extraction in scientific articles.
Physics-guided models improve lake temperature and quality predictions.
problem Predicting and monitoring water temperature and quality in lakes.
method Combining physics-based models and recurrent neural networks with physical constraints.
result Improved prediction accuracy and scientific consistency.
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.