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The reliability of atomistic simulations depends on the quality of the underlying energy models providing the source of physical information, for instance for the calculation of migration barriers in atomistic Kinetic Monte Carlo…

Deep learning has profoundly impacted domains such as computer vision and natural language processing by uncovering complex patterns in vast datasets. However, the reliance on extensive labeled data poses significant challenges, including…

计算机视觉与模式识别 · 计算机科学 2026-05-15 Harshini Mridula Mohan , Maanya Manjunath , Vipul Arya , S. H. Shabbeer Basha , Nitin Cheekatla

Active learning seeks to achieve strong performance with fewer training samples. It does this by iteratively asking an oracle to label new selected samples in a human-in-the-loop manner. This technique has gained increasing popularity due…

机器学习 · 计算机科学 2024-07-16 Dongyuan Li , Zhen Wang , Yankai Chen , Renhe Jiang , Weiping Ding , Manabu Okumura

Continual learning is the sequential learning of different tasks by a machine learning model. Continual learning is known to be hindered by catastrophic interference or forgetting, i.e. rapid unlearning of earlier learned tasks when new…

机器学习 · 计算机科学 2024-02-14 Heinrich van Deventer , Anna Sergeevna Bosman

Deep neural networks (DNNs) have proven to be highly effective in a variety of tasks, making them the go-to method for problems requiring high-level predictive power. Despite this success, the inner workings of DNNs are often not…

机器学习 · 统计学 2024-03-04 Anton Thielmann , René-Marcel Kruse , Thomas Kneib , Benjamin Säfken

Active learning (AL) for multiple target models aims to reduce labeled data querying while effectively training multiple models concurrently. Existing AL algorithms often rely on iterative model training, which can be computationally…

机器学习 · 计算机科学 2024-10-03 Sheng-Jun Huang , Yi Li , Yiming Sun , Ying-Peng Tang

Active Learning (AL) is a user-interactive approach aimed at reducing annotation costs by selecting the most crucial examples to label. Although AL has been extensively studied for image classification tasks, the specific scenario of…

计算机视觉与模式识别 · 计算机科学 2024-12-04 Leah Bar , Boaz Lerner , Nir Darshan , Rami Ben-Ari

Children possess the ability to learn multiple cognitive tasks sequentially, which is a major challenge toward the long-term goal of artificial general intelligence. Existing continual learning frameworks are usually applicable to Deep…

人工智能 · 计算机科学 2023-08-10 Bing Han , Feifei Zhao , Yi Zeng , Wenxuan Pan , Guobin Shen

Inspired by the human brain's ability to adapt to new tasks without erasing prior knowledge, we develop spiking neural networks (SNNs) with dynamic structures for Class Incremental Learning (CIL). Our comparative experiments reveal that…

计算机视觉与模式识别 · 计算机科学 2024-12-18 Wenyao Ni , Jiangrong Shen , Qi Xu , Huajin Tang

Predicting the spatial configuration of gas molecules in nanopores of shale formations is crucial for fluid flow forecasting and hydrocarbon reserves estimation. The key challenge in these tight formations is that the majority of the pore…

Neural network potentials (NNPs) offer a fast and accurate alternative to ab-initio methods for molecular dynamics (MD) simulations but are hindered by the high cost of training data from high-fidelity Quantum Mechanics (QM) methods. Our…

化学物理 · 物理学 2024-12-10 Stephan Thaler , Cristian Gabellini , Nikhil Shenoy , Prudencio Tossou

Spiking neural networks (SNNs) have emerged as a promising alternative to artificial neural networks (ANNs), offering improved energy efficiency by leveraging sparse and event-driven computation. However, existing hardware implementations…

硬件体系结构 · 计算机科学 2025-09-19 Yuehai Chen , Farhad Merchant

Active learning (AL) is a powerful sequential optimization approach that has shown great promise in the discovery of new materials. However, a major challenge remains the acquisition of the initial data and the development of workflows to…

材料科学 · 物理学 2024-11-22 Mohnish Harwani , Juan C. Verduzco , Brian H. Lee , Alejandro Strachan

Meta-learning often referred to as learning-to-learn is a promising notion raised to mimic human learning by exploiting the knowledge of prior tasks but being able to adapt quickly to novel tasks. A plethora of models has emerged in this…

机器学习 · 计算机科学 2022-10-17 Jicang Cai , Saeed Vahidian , Weijia Wang , Mohsen Joneidi , Bill Lin

Recent application of neural networks (NNs) to modeling interatomic interactions has shown the learning machines' encouragingly accurate performance for select elemental and multicomponent systems. In this study, we explore the possibility…

材料科学 · 物理学 2017-02-08 Samad Hajinazar , Junping Shao , Aleksey N. Kolmogorov

Recent models for image processing are using the Convolutional neural network (CNN) which requires a pixel per pixel analysis of the input image. This method works well. However, it is time-consuming if we have large images. To increase the…

机器学习 · 计算机科学 2019-12-10 Mohamed Karim Belaid

We introduce a Deep Reinforcement Learning (DRL) model for the structure relaxation of crystal materials and compare different types of neural network architectures and reinforcement learning algorithms for this purpose. Experiments are…

材料科学 · 物理学 2025-02-13 Elena Trukhan , Efim Mazhnik , Artem R. Oganov

Active Learning (AL) aims to reduce the labeling burden by interactively selecting the most informative samples from a pool of unlabeled data. While there has been extensive research on improving AL query methods in recent years, some…

计算机视觉与模式识别 · 计算机科学 2023-11-06 Carsten T. Lüth , Till J. Bungert , Lukas Klein , Paul F. Jaeger

To adapt to real-world data streams, continual learning (CL) systems must rapidly learn new concepts while preserving and utilizing prior knowledge. When it comes to adding new information to continually-trained deep neural networks (DNNs),…

机器学习 · 计算机科学 2025-07-02 Md Yousuf Harun , Christopher Kanan

The continual learning (CL) paradigm aims to enable neural networks to learn tasks continually in a sequential fashion. The fundamental challenge in this learning paradigm is catastrophic forgetting previously learned tasks when the model…

机器学习 · 计算机科学 2021-04-15 Ghada Sokar , Decebal Constantin Mocanu , Mykola Pechenizkiy