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Deep learning based generative adversarial networks (GAN) can effectively perform image reconstruction with under-sampled MR data. In general, a large number of training samples are required to improve the reconstruction performance of a…
Active learning (AL) strategies aim to train high-performance models with minimal labeling efforts, only selecting the most informative instances for annotation. Current approaches to evaluating data informativeness predominantly focus on…
Atomic arrangements and local sub-structures fundamentally influence emergent material functionalities. The local structures are conventionally probed using spatially resolved studies and the property correlations are usually deciphered by…
Infrastructure systems are critical in modern communities but are highly susceptible to various natural and man-made disasters. Efficient post-disaster recovery requires repair-scheduling approaches under the limitation of capped resources…
Active learning (AL) reduces labeling cost by querying informative samples, but in tabular settings its cold-start gains are often limited because uncertainty estimates are unreliable when models are trained on very few labels. Tabular…
We introduce BatchGFN -- a novel approach for pool-based active learning that uses generative flow networks to sample sets of data points proportional to a batch reward. With an appropriate reward function to quantify the utility of…
Modern networks generate vast, heterogeneous traffic that must be continuously analyzed for security and performance. Traditional network traffic analysis systems, whether rule-based or machine learning-driven, often suffer from high false…
The acquisition of labels for supervised learning can be expensive. To improve the sample efficiency of neural network regression, we study active learning methods that adaptively select batches of unlabeled data for labeling. We present a…
Molecular geometry prediction of flexible molecules, or conformer search, is a long-standing challenge in computational chemistry. This task is of great importance for predicting structure-activity relationships for a wide variety of…
Learning with large-scale unlabeled data has become a powerful tool for pre-training Visual Transformers (VTs). However, prior works tend to overlook that, in real-world scenarios, the input data may be corrupted and unreliable.…
Learning the dynamics of robots from data can help achieve more accurate tracking controllers, or aid their navigation algorithms. However, when the actual dynamics of the robots change due to external conditions, on-line adaptation of…
Active learning is a unique abstraction of machine learning techniques where the model/algorithm could guide users for annotation of a set of data points that would be beneficial to the model, unlike passive machine learning. The primary…
Seismic inversion helps geophysicists build accurate reservoir models for exploration and production purposes. Deep learning-based seismic inversion works by training a neural network to learn a mapping from seismic data to rock properties…
Graph Neural Networks (GNNs) have emerged as the leading paradigm for learning over graph-structured data. However, their performance is limited by issues inherent to graph topology, most notably oversquashing and oversmoothing. Recent…
Deep Learning has the hierarchical network architecture to represent the complicated features of input patterns. Such architecture is well known to represent higher learning capability compared with some conventional models if the best set…
This paper aims to propose a novel deep learning-integrated framework for deriving reliable simulation input models through incorporating multi-source information. The framework sources and extracts multisource data generated from…
Deep generative models hold great promise for inverse materials design, yet their efficiency and accuracy remain constrained by data scarcity and model architecture. Here, we introduce AlloyGAN, a closed-loop framework that integrates Large…
Reconstructing the structural geology and mineral composition of the first few kilometers of the Earth's subsurface from sparse or indirect surface observations remains a long-standing challenge with critical applications in mineral…
Simulation techniques based on accurate and efficient representations of potential energy surfaces are urgently needed for the understanding of complex aqueous systems such as solid-liquid interfaces. Here, we present a machine learning…
Our main motivation is to propose an efficient approach to generate novel multi-element stable chemical compounds that can be used in real world applications. This task can be formulated as a combinatorial problem, and it takes many hours…