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The field of drug discovery hinges on the accurate prediction of binding affinity between prospective drug molecules and target proteins, especially when such proteins directly influence disease progression. However, estimating binding…

Federated learning is a distributed, privacy-aware learning scenario which trains a single model on data belonging to several clients. Each client trains a local model on its data and the local models are then aggregated by a central party.…

Machine Learning · Computer Science 2020-01-01 Hesham Mostafa

Deep learning has revolutionized many industries by enabling models to automatically learn complex patterns from raw data, reducing dependence on manual feature engineering. However, deep learning algorithms are sensitive to input data, and…

Machine Learning · Computer Science 2025-07-21 Mert Sehri , Zehui Hua , Francisco de Assis Boldt , Patrick Dumond

Foundational Machine Learning Potentials can resolve the accuracy and transferability limitations of classical force fields. They enable microscopic insights into material behavior through Molecular Dynamics simulations, which can crucially…

Computational Physics · Physics 2025-12-04 Paul Fuchs , Julija Zavadlav

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how…

Machine Learning · Statistics 2024-03-04 Yefan Zhou , Yaoqing Yang , Arin Chang , Michael W. Mahoney

Machine learning is a powerful method for modeling in different fields such as education. Its capability to accurately predict students' success makes it an ideal tool for decision-making tasks related to higher education. The accuracy of…

Machine Learning · Computer Science 2021-05-03 Leila Zahedi , Farid Ghareh Mohammadi , Shabnam Rezapour , Matthew W. Ohland , M. Hadi Amini

Agricultural datasets for crop row detection are often bound by their limited number of images. This restricts the researchers from developing deep learning based models for precision agricultural tasks involving crop row detection. We…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Rajitha de Silva , Grzegorz Cielniak , Junfeng Gao

We propose a neural hybrid model consisting of a linear model defined on a set of features computed by a deep, invertible transformation (i.e. a normalizing flow). An attractive property of our model is that both p(features), the density of…

Machine Learning · Computer Science 2019-05-30 Eric Nalisnick , Akihiro Matsukawa , Yee Whye Teh , Dilan Gorur , Balaji Lakshminarayanan

Artificial Intelligence algorithms have been steadily increasing in popularity and usage. Deep Learning, allows neural networks to be trained using huge datasets and also removes the need for human extracted features, as it automates the…

Neural and Evolutionary Computing · Computer Science 2020-05-11 Vasco Lopes , Paulo Fazendeiro

Federated learning has become an emerging technology for data analysis for IoT applications. This paper implements centralized and decentralized federated learning frameworks for crop yield prediction based on Long Short-Term Memory…

Machine Learning · Computer Science 2025-12-16 Anwesha Mukherjee , Rajkumar Buyya

The future landscape of modern farming and plant breeding is rapidly changing due to the complex needs of our society. The explosion of collectable data has started a revolution in agriculture to the point where innovation must occur. To a…

Computer Vision and Pattern Recognition · Computer Science 2020-10-26 Saeed Khaki , Hieu Pham , Ye Han , Wade Kent , Lizhi Wang

There are several numerical models that describe real phenomena being used to solve complex problems. For example, an accurate numerical breast model can provide assistance to surgeons with visual information of the breast as a result of a…

Medical Physics · Physics 2020-03-17 Diogo Lopes , António Ramires Fernandes , Stéphane Clain

Bioprocesses are often characterised by nonlinear and uncertain dynamics, posing particular challenges for model predictive control (MPC) algorithms due to their computational demands when applied to nonlinear systems. Recent advances in…

Optimization and Control · Mathematics 2025-02-05 Niels Krausch , Martin Doff-Sotta , Mark Cannon , Peter Neubauer , Mariano Nicolas Cruz Bournazou

Farmers face several challenges when growing crops like uncertain irrigation, poor soil quality, etc. Especially in India, a major fraction of farmers do not have the knowledge to select appropriate crops and fertilizers. Moreover, crop…

Machine Learning · Computer Science 2022-04-26 Shloka Gupta , Akshay Chopade , Nishit Jain , Aparna Bhonde

Efficient nutrient management and precise fertilization are essential for advancing modern agriculture, particularly in regions striving to optimize crop yields sustainably. The AgroLens project endeavors to address this challenge by…

Achieving state-of-the-art performance on natural language understanding tasks typically relies on fine-tuning a fresh model for every task. Consequently, this approach leads to a higher overall parameter cost, along with higher technical…

Computation and Language · Computer Science 2020-07-14 Yi Tay , Zhe Zhao , Dara Bahri , Donald Metzler , Da-Cheng Juan

The task of weed detection is an essential element of precision agriculture since accurate species identification allows a farmer to selectively apply herbicides and fits into sustainable agriculture crop management. This paper proposes a…

Computer Vision and Pattern Recognition · Computer Science 2025-11-20 Pandiyaraju V , Abishek Karthik , Sreya Mynampati , Poovarasan L , D. Saraswathi

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

Deep energy-based models are powerful, but pose challenges for learning and inference (Belanger and McCallum, 2016). Tu and Gimpel (2018) developed an efficient framework for energy-based models by training "inference networks" to…

Computation and Language · Computer Science 2020-10-13 Lifu Tu , Richard Yuanzhe Pang , Kevin Gimpel

This paper introduces a Bayesian hierarchical modeling framework within a fully probabilistic setting for crop yield estimation, model selection, and uncertainty forecasting under multiple future greenhouse gas emission scenarios. By…

Applications · Statistics 2025-07-30 Dan Li , Vassili Kitsios , David Newth , Terence John O'Kane