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Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

Every data selection method inherently has a target. In practice, these targets often emerge implicitly through benchmark-driven iteration: researchers develop selection strategies, train models, measure benchmark performance, then refine…

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

Models trained on semantically related datasets and tasks exhibit comparable inter-sample relations within their latent spaces. We investigate in this study the aggregation of such latent spaces to create a unified space encompassing the…

When a number of similar tasks have to be learned simultaneously, multi-task learning (MTL) models can attain significantly higher accuracy than single-task learning (STL) models. However, the advantage of MTL depends on various factors,…

Machine Learning · Computer Science 2023-10-26 Afiya Ayman , Ayan Mukhopadhyay , Aron Laszka

Clustering aims to group similar objects together while separating dissimilar ones apart. Thereafter, structures hidden in data can be identified to help understand data in an unsupervised manner. Traditional clustering methods such as…

Computer Vision and Pattern Recognition · Computer Science 2023-06-23 Jiawei Yao , Enbei Liu , Maham Rashid , Juhua Hu

Meta-learning for algorithm selection relies on a meta-dataset in which each row corresponds to a supervised learning dataset described by meta-features and labelled with a target value that is associated with algorithm choice (typically,…

Machine Learning · Computer Science 2026-05-12 Darren Zhu , Daren Ler

When selecting data for training large-scale models, standard practice is to filter for examples that match human notions of data quality. Such filtering yields qualitatively clean datapoints that intuitively should improve model behavior.…

Machine Learning · Computer Science 2024-01-24 Logan Engstrom , Axel Feldmann , Aleksander Madry

In enterprise settings, efficiently retrieving relevant information from large and complex knowledge bases is essential for operational productivity and informed decision-making. This research presents a systematic empirical framework for…

We propose a multi-level method to increase the accuracy of machine learning algorithms for approximating observables in scientific computing, particularly those that arise in systems modeled by differential equations. The algorithm relies…

Numerical Analysis · Mathematics 2020-07-06 Kjetil O. Lye , Siddhartha Mishra , Roberto Molinaro

Deep artificial neural networks require a large corpus of training data in order to effectively learn, where collection of such training data is often expensive and laborious. Data augmentation overcomes this issue by artificially inflating…

Machine Learning · Computer Science 2017-08-22 Luke Taylor , Geoff Nitschke

As the volume of publicly available data continues to grow, researchers face the challenge of limited diversity in benchmarking machine learning tasks. Although thousands of datasets are available in public repositories, the sheer abundance…

Information Retrieval · Computer Science 2025-02-25 Mara Graziani , Malina Molnar , Irina Espejo Morales , Joris Cadow-Gossweiler , Teodoro Laino

The proliferation of datasets across open data portals and enterprise data lakes presents an opportunity for deriving data-driven insights. Widely-used dataset search systems rely on keyword search over dataset metadata, including…

Databases · Computer Science 2025-12-19 Haoxiang Zhang , Yurong Liu , Aécio Santos , Wei-Lun Hung , Juliana Freire

Data augmentation is a widely used training trick in deep learning to improve the network generalization ability. Despite many encouraging results, several recent studies did point out limitations of the conventional data augmentation…

Machine Learning · Computer Science 2020-10-06 Yi Xu , Asaf Noy , Ming Lin , Qi Qian , Hao Li , Rong Jin

Contextual ranking models have delivered impressive performance improvements over classical models in the document ranking task. However, these highly over-parameterized models tend to be data-hungry and require large amounts of data even…

Information Retrieval · Computer Science 2023-11-28 Abhijit Anand , Jurek Leonhardt , Jaspreet Singh , Koustav Rudra , Avishek Anand

Within enterprises, there is a growing need to intelligently navigate data lakes, specifically focusing on data discovery. Of particular importance to enterprises is the ability to find related tables in data repositories. These tables can…

Comparing different AutoML frameworks is notoriously challenging and often done incorrectly. We introduce an open and extensible benchmark that follows best practices and avoids common mistakes when comparing AutoML frameworks. We conduct a…

Large language models (LLMs) are increasingly exposed to data contamination, i.e., performance gains driven by prior exposure of test datasets rather than generalization. However, in the context of tabular data, this problem is largely…

Computation and Language · Computer Science 2026-03-31 Matteo Silvestri , Fabiano Veglianti , Flavio Giorgi , Fabrizio Silvestri , Gabriele Tolomei

We consider the use of automated supervised learning systems for data tables that not only contain numeric/categorical columns, but one or more text fields as well. Here we assemble 18 multimodal data tables that each contain some text…

Machine Learning · Computer Science 2021-11-05 Xingjian Shi , Jonas Mueller , Nick Erickson , Mu Li , Alexander J. Smola