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Generative Artificial Intelligence (GenAI) is driving significant environmental impacts. The rapid development and deployment of increasingly larger algorithmic models capable of analysing vast amounts of data are contributing to rising…

Computers and Society · Computer Science 2025-02-18 Ana Valdivia

Climate simulations, at all grid resolutions, rely on approximations that encapsulate the forcing due to unresolved processes on resolved variables, known as parameterizations. Parameterizations often lead to inaccuracies in climate models,…

We propose a network architecture capable of reliably estimating uncertainty of regression based predictions without sacrificing accuracy. The current state-of-the-art uncertainty algorithms either fall short of achieving prediction…

Machine Learning · Computer Science 2022-02-22 Kinjal Patel , Steven Waslander

The local structure of a protein strongly impacts its function and interactions with other molecules. Therefore, a concise, informative representation of a local protein environment is essential for modeling and designing proteins and…

Recently, deep neural network (DNN)-based drug-target interaction (DTI) models were highlighted for their high accuracy with affordable computational costs. Yet, the models' insufficient generalization remains a challenging problem in the…

Biomolecules · Quantitative Biology 2021-12-14 Seokhyun Moon , Wonho Zhung , Soojung Yang , Jaechang Lim , Woo Youn Kim

The ability to explain decisions made by machine learning models remains one of the most significant hurdles towards widespread adoption of AI in highly sensitive areas such as medicine, cybersecurity or autonomous driving. Great interest…

Machine Learning · Computer Science 2024-12-17 Maximilian P Niroomand , David J Wales

Reliable spacecraft attitude control depends on accurate prediction of attitude dynamics, particularly when model-based strategies such as Model Predictive Control (MPC) are employed, where performance is limited by the quality of the…

Robotics · Computer Science 2026-02-19 Carlo Cena , Mauro Martini , Marcello Chiaberge

Significant differences in protein structures hinder the generalization of existing drug-target interaction (DTI) models, which often rely heavily on pre-learned binding principles or detailed annotations. In contrast, BioBridge designs an…

Machine Learning · Computer Science 2025-03-28 Xiaoqing Lian , Jie Zhu , Tianxu Lv , Shiyun Nie , Hang Fan , Guosheng Wu , Yunjun Ge , Lihua Li , Xiangxiang Zeng , Xiang Pan

Recent progress in diverse intelligence has shown simple learning capacities below the organism level - single cells and even molecular networks. However, there are still many knowledge gaps around learning capacity above the organism…

Populations and Evolution · Quantitative Biology 2026-05-29 Adrita Samanta , Hananel Hazan , Michael Levin

Deep learning has revolutionized modern society but faces growing energy and latency constraints. Deep physical neural networks (PNNs) are interconnected computing systems that directly exploit analog dynamics for energy-efficient,…

Machine Learning · Computer Science 2026-02-11 Hao Wang , Ziao Wang , Xiangpeng Liang , Han Zhao , Jianqi Hu , Junjie Jiang , Xing Fu , Jianshi Tang , Huaqiang Wu , Sylvain Gigan , Qiang Liu

Detecting biases in artificial intelligence has become difficult because of the impenetrable nature of deep learning. The central difficulty is in relating unobservable phenomena deep inside models with observable, outside quantities that…

Computation and Language · Computer Science 2019-12-24 Lizhen Liang , Daniel E. Acuna

Deep convolutional neural networks (DCNNs) have revolutionized computer vision and are often advocated as good models of the human visual system. However, there are currently many shortcomings of DCNNs, which preclude them as a model of…

Computer Vision and Pattern Recognition · Computer Science 2022-05-19 Harshitha Machiraju , Oh-Hyeon Choung , Michael H. Herzog , Pascal Frossard

Ensemble techniques in recommender systems have demonstrated accuracy improvements of 10-30%, yet their environmental impact remains unmeasured. While deep learning recommendation algorithms can generate up to 3,297 kg CO2 per paper,…

Information Retrieval · Computer Science 2025-11-18 Jannik Nitschke

A physics informed neural network (PINN) incorporates the physics of a system by satisfying its boundary value problem through a neural network's loss function. The PINN approach has shown great success in approximating the map between the…

Numerical Analysis · Mathematics 2022-03-17 Revanth Mattey , Susanta Ghosh

Recently emerged technologies based on Deep Learning (DL) achieved outstanding results on a variety of tasks in the field of Artificial Intelligence (AI). However, these encounter several challenges related to robustness to adversarial…

Neural and Evolutionary Computing · Computer Science 2023-08-01 Gabriele Lagani , Fabrizio Falchi , Claudio Gennaro , Giuseppe Amato

We consider the challenges that arise when fitting complex ecological models to 'large' data sets. In particular, we focus on random effect models which are commonly used to describe individual heterogeneity, often present in ecological…

Methodology · Statistics 2022-05-17 Ruth King , Blanca Sarzo , Víctor Elvira

Control in fluid environments is an important research area with numerous applications across various domains, including underwater robotics, aerospace engineering, and biomedical systems. However, in practice, control methods often face…

Machine Learning · Computer Science 2025-08-13 Haodong Feng , Peiyan Hu , Yue Wang , Dixia Fan

Interest is rising in Physics-Informed Neural Networks (PINNs) as a mesh-free alternative to traditional numerical solvers for partial differential equations (PDEs). However, PINNs often struggle to learn high-frequency and multi-scale…

Machine Learning · Computer Science 2025-02-25 Madison Cooley , Varun Shankar , Robert M. Kirby , Shandian Zhe

Neural networks have long strived to emulate the learning capabilities of the human brain. While deep neural networks (DNNs) draw inspiration from the brain in neuron design, their training methods diverge from biological foundations.…

Neural and Evolutionary Computing · Computer Science 2026-02-24 Joseph Bingham , Saman Zonouz , Dvir Aran

Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functional theory. While machine learning models have emerged as…

Materials Science · Physics 2026-01-28 Bin Cao , Yang Liu , Longhan Zhang , Yifan Wu , Zhixun Li , Yuyu Luo , Hong Cheng , Yang Ren , Tong-Yi Zhang
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