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Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

Representation learning has been widely studied in the context of meta-learning, enabling rapid learning of new tasks through shared representations. Recent works such as MAML have explored using fine-tuning-based metrics, which measure the…

Machine Learning · Computer Science 2021-05-06 Kurtland Chua , Qi Lei , Jason D. Lee

Interpretability is a pressing issue for machine learning. Common approaches to interpretable machine learning constrain interactions between features of the input, rendering the effects of those features on a model's output comprehensible…

Machine Learning · Computer Science 2023-05-11 Kieran A. Murphy , Dani S. Bassett

Feature selection (FS) is assumed to improve predictive performance and identify meaningful features in high-dimensional datasets. Surprisingly, small random subsets of features (0.02-1%) match or outperform the predictive performance of…

Machine Learning · Computer Science 2025-09-22 Bhavesh Neekhra , Debayan Gupta , Partha Pratim Chakrabarti

The biological functions of proteins often depend on dynamic structural ensembles. In this work, we develop a flow-based generative modeling approach for learning and sampling the conformational landscapes of proteins. We repurpose highly…

Biomolecules · Quantitative Biology 2024-09-04 Bowen Jing , Bonnie Berger , Tommi Jaakkola

We propose an asymptotic framework to analyze the performance of (personalized) federated learning algorithms. In this new framework, we formulate federated learning as a multi-criterion objective, where the goal is to minimize each…

Machine Learning · Computer Science 2022-02-21 Gary Cheng , Karan Chadha , John Duchi

Agriculture is increasingly challenged by climate change, soil degradation, and resource depletion, and hence requires advanced data-driven crop classification and recommendation solutions. This work presents an explainable ensemble…

Scene recognition, particularly for aerial and underwater images, often suffers from various types of degradation, such as blurring or overexposure. Previous works that focus on convolutional neural networks have been shown to be able to…

Computer Vision and Pattern Recognition · Computer Science 2024-10-22 Jianqi Zhang , Mengxuan Wang , Jingyao Wang , Lingyu Si , Changwen Zheng , Fanjiang Xu

When machine learning supports decision-making in safety-critical systems, it is important to verify and understand the reasons why a particular output is produced. Although feature importance calculation approaches assist in…

Machine Learning · Statistics 2020-09-14 Divish Rengasamy , Benjamin Rothwell , Grazziela Figueredo

In Machine Learning, feature selection entails selecting a subset of the available features in a dataset to use for model development. There are many motivations for feature selection, it may result in better models, it may provide insight…

Machine Learning · Computer Science 2021-06-14 Padraig Cunningham , Bahavathy Kathirgamanathan , Sarah Jane Delany

Feature detection is an important procedure for image matching, where unsupervised feature detection methods are the detection approaches that have been mostly studied recently, including the ones that are based on repeatability requirement…

Computer Vision and Pattern Recognition · Computer Science 2022-04-28 Chao Li , Yanan You , Wenli Zhou

The success of the application of machine-learning techniques to compilation tasks can be largely attributed to the recent development and advancement of program characterization, a process that numerically or structurally quantifies a…

Programming Languages · Computer Science 2016-11-01 Pai-Shun Ting , Chun-Chen Tu , Pin-Yu Chen , Ya-Yun Lo , Shin-Ming Cheng

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Quan Dao , Hao Phung , Binh Nguyen , Anh Tran

Deep learning has led to state-of-the-art results for many medical imaging tasks, such as segmentation of different anatomical structures. With the increased numbers of deep learning publications and openly available code, the approach to…

Image and Video Processing · Electrical Eng. & Systems 2020-05-19 Tom van Sonsbeek , Veronika Cheplygina

Finding optimal hyperparameters for the machine learning algorithm can often significantly improve its performance. But how to choose them in a time-efficient way? In this paper we present the protocol of generating benchmark data…

Machine Learning · Computer Science 2020-09-01 Wojciech Kretowicz , Przemysław Biecek

A key task of data science is to identify relevant features linked to certain output variables that are supposed to be modeled or predicted. To obtain a small but meaningful model, it is important to find stochastically independent…

Methodology · Statistics 2021-12-23 Tim Breitenbach , Lauritz Rasbach , Chunguang Liang , Patrick Jahnke

As the role played by statistical and computational sciences in climate and environmental modelling and prediction becomes more important, Machine Learning researchers are becoming more aware of the relevance of their work to help tackle…

Machine Learning · Statistics 2020-12-23 Federico Amato , Fabian Guignard , Sylvain Robert , Mikhail Kanevski

Feature extraction from unstructured text is a critical step in many downstream classification pipelines, yet current approaches largely rely on hand-crafted prompts or fixed feature schemas. We formulate feature discovery as a…

Computation and Language · Computer Science 2026-01-21 Adrian Cosma , Oleg Szehr , David Kletz , Alessandro Antonucci , Olivier Pelletier

The goal of Feature Selection - comprising filter, wrapper, and embedded approaches - is to find the optimal feature subset for designated downstream tasks. Nevertheless, current feature selection methods are limited by: 1) the selection…

Machine Learning · Computer Science 2023-09-18 Meng Xiao , Dongjie Wang , Min Wu , Pengfei Wang , Yuanchun Zhou , Yanjie Fu

A machine learning method to predict steady external fluid flows using elliptic input features is introduced. Using data from as few as one high-fidelity simulation, the proposed method produces models generalizable under changes to…

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