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This study compares various superlearner and deep learning architectures (machine-learning-based and neural-network-based) for classification problems across several simulated and industrial datasets to assess performance and computational…

Designing discriminative powerful texture features robust to realistic imaging conditions is a challenging computer vision problem with many applications, including material recognition and analysis of satellite or aerial imagery. In the…

Accurately predicting molecular properties is a challenging but essential task in drug discovery. Recently, many mono-modal deep learning methods have been successfully applied to molecular property prediction. However, the inherent…

We propose TabTransformer, a novel deep tabular data modeling architecture for supervised and semi-supervised learning. The TabTransformer is built upon self-attention based Transformers. The Transformer layers transform the embeddings of…

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Since 2016, deep learning (DL) has advanced tomographic imaging with remarkable successes, especially in low-dose computed tomography (LDCT) imaging. Despite being driven by big data, the LDCT denoising and pure end-to-end reconstruction…

Many of today's most interesting questions involve understanding and interpreting complex relationships within graph-based structures. For instance, in materials science, predicting material properties often relies on analyzing the…

Deep learning is envisioned to play a key role in the design of future wireless receivers. A popular approach to design learning-aided receivers combines deep neural networks (DNNs) with traditional model-based receiver algorithms,…

Delicate cloth simulations have long been desired in computer graphics. Various methods were proposed to improve engaged force interactions, collision handling, and numerical integrations. Deep learning has the potential to achieve fast and…

Many machine learning algorithms for tabular data produce black-box models, which prevent users from understanding the rationale behind the model predictions. In their unconstrained form, graph neural networks fall into this category, and…

Deep learning has emerged as a prominent field in recent literature, showcasing the introduction of models that utilize transfer learning to achieve remarkable accuracies in the classification of brain tumor MRI images. However, the…

Deep neural networks provide flexible frameworks for learning data representations and functions relating data to other properties and are often claimed to achieve 'super-human' performance in inferring relationships between input data and…

Moir\'e-twisted materials have garnered significant research interest due to their distinctive properties and intriguing physics. However, conducting first-principles studies on such materials faces challenges, notably the formidable…

Estimating causal treatment effects in observational settings is frequently compromised by selection bias arising from unobserved confounders. While traditional econometric methods struggle when these confounders are orthogonal to…

Inorganic crystal materials have broad application potential due to excellent physical and chemical properties, with elastic properties (shear modulus, bulk modulus) crucial for predicting materials' electrical conductivity, thermal…

We present a novel interpretable machine learning model to accurately predict complex rippling deformations of Multi-Walled Carbon Nanotubes(MWCNTs) made of millions of atoms. Atomistic-physics-based models are accurate but computationally…

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Machine learning (ML) models have emerged as powerful tools for accelerating materials discovery and design by enabling accurate predictions of properties from compositional and structural data. These capabilities are vital for developing…

Axis-aligned decision forests have long been the leading class of machine learning algorithms for modeling tabular data. In many applications of machine learning such as learning-to-rank, decision forests deliver remarkable performance.…

Deep clustering algorithms combine representation learning and clustering by jointly optimizing a clustering loss and a non-clustering loss. In such methods, a deep neural network is used for representation learning together with a…