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A data-driven model augmentation framework, referred to as Weakly-coupled Integrated Inference and Machine Learning (IIML), is presented to improve the predictive accuracy of physical models. In contrast to parameter calibration, this work…

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Widespread adoption of high-temperature polymer electrolyte membrane fuel cells (HT-PEMFCs) and HT-PEM electrochemical hydrogen pumps (HT-PEM ECHPs) requires models and computational tools that provide accurate scale-up and optimization.…

In petroleum engineering, it is essential to determine the ultimate recovery factor, RF, particularly before exploitation and exploration. However, accurately estimating requires data that is not necessarily available or measured at early…

Understanding the reasons for the success of deep neural networks trained using stochastic gradient-based methods is a key open problem for the nascent theory of deep learning. The types of data where these networks are most successful,…

Complete computation of turbulent combustion flow involves two separate steps: mapping reaction kinetics to low-dimensional manifolds and looking-up this approximate manifold during CFD run-time to estimate the thermo-chemical state…

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

This study presents novel predictive models using Graph Neural Networks (GNNs) for simulating thermal dynamics in Laser Powder Bed Fusion (L-PBF) processes. By developing and validating Single-Laser GNN (SL-GNN) and Multi-Laser GNN (ML-GNN)…

An important linear algebra routine, GEneral Matrix Multiplication (GEMM), is a fundamental operator in deep learning. Compilers need to translate these routines into low-level code optimized for specific hardware. Compiler-level…

Mammography is often used as the most common laboratory method for the detection of breast cancer, yet associated with the high cost and many side effects. Machine learning prediction as an alternative method has shown promising results.…

This paper presents an interpretable review of various machine learning and deep learning models to predict the maintenance of aircraft engine to avoid any kind of disaster. One of the advantages of the strategy is that it can work with…

Large Language Models (LLM) and foundation models are popular as they offer new opportunities for individuals and businesses to improve natural language processing, interact with data, and retrieve information faster. However, training or…

Hyper-parameters (HPs) are an important part of machine learning (ML) model development and can greatly influence performance. This paper studies their behavior for three algorithms: Extreme Gradient Boosting (XGB), Random Forest (RF), and…

Recent progress in machine learning (ML) has made high-accuracy quantum chemistry (QC) calculations more accessible. Of particular interest are multifidelity machine learning (MFML) methods where training data from differing accuracies or…

Language models (LMs) such as BERT and GPT have revolutionized natural language processing (NLP). However, the medical field faces challenges in training LMs due to limited data access and privacy constraints imposed by regulations like the…

The use of machine learning algorithms to predict behaviors of complex systems is booming. However, the key to an effective use of machine learning tools in multi-physics problems, including combustion, is to couple them to physical and…

Deep Belief Network (DBN) has a deep architecture that represents multiple features of input patterns hierarchically with the pre-trained Restricted Boltzmann Machines (RBM). A traditional RBM or DBN model cannot change its network…

This is the 2nd part of the dissertation for my master degree and compared the power consumption using the Comma-Separated-Values (CSV) and parquet dataset format with the default floating point (32bit) and Nvidia mixed precision (16bit and…

Current popular methods for Magnetic Resonance Fingerprint (MRF) recovery are bottlenecked by the heavy storage and computation requirements of a dictionary-matching (DM) step due to the growing size and complexity of the fingerprint…

Machine Unlearning has emerged as a significant area of research, focusing on `removing' specific subsets of data from a trained model. Fine-tuning (FT) methods have become one of the fundamental approaches for approximating unlearning, as…