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The one-body reduced density matrix (1-RDM) of a many-body system at zero temperature gives direct access to many observables, such as the charge density, kinetic energy and occupation numbers. It would be desirable to express it as a…
Kernel Principal Component Analysis (KPCA) is a popular dimensionality reduction technique with a wide range of applications. However, it suffers from the problem of poor scalability. Various approximation methods have been proposed in the…
Discriminative features play an important role in image and object classification and also in other fields of research such as semi-supervised learning, fine-grained classification, out of distribution detection. Inspired by Linear…
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…
Building extraction $-$ needed for inventory management and planning of urban environment $-$ is affected by the misalignment between labels and off-nadir source imagery in training data. Teacher-Student learning of noise-tolerant…
Stack autoencoder (SAE), as a representative deep network, has unique and excellent performance in feature learning, and has received extensive attention from researchers. However, existing deep SAEs focus on original samples without…
Deep Neural Networks (DNNs) are powerful algorithms that have been proven capable of extracting non-Gaussian information from weak lensing (WL) data sets. Understanding which features in the data determine the output of these nested,…
This work in progress paper introduces robustness verification for autoencoder-based regression neural network (NN) models, following state-of-the-art approaches for robustness verification of image classification NNs. Despite the ongoing…
This study investigates the use of non-linear unsupervised dimensionality reduction techniques to compress a music dataset into a low-dimensional representation which can be used in turn for the synthesis of new sounds. We systematically…
We demonstrate a new deep learning autoencoder network, trained by a nonnegativity constraint algorithm (NCAE), that learns features which show part-based representation of data. The learning algorithm is based on constraining negative…
Real-world data usually have high dimensionality and it is important to mitigate the curse of dimensionality. High-dimensional data are usually in a coherent structure and make the data in relatively small true degrees of freedom. There are…
Data modeling and reduction for in situ is important. Feature-driven methods for in situ data analysis and reduction are a priority for future exascale machines as there are currently very few such methods. We investigate a deep-learning…
We propose NECA, a deep representation learning method for categorical data. Built upon the foundations of network embedding and deep unsupervised representation learning, NECA deeply embeds the intrinsic relationship among attribute values…
Deep learning has become an essential part of computer vision, with deep neural networks (DNNs) excelling in predictive performance. However, they often fall short in other critical quality dimensions, such as robustness, calibration, or…
We show that using nearest neighbours in the latent space of autoencoders (AE) significantly improves performance of semi-supervised novelty detection in both single and multi-class contexts. Autoencoding methods detect novelty by learning…
Recently neural network based approaches to knowledge-intensive NLP tasks, such as question answering, started to rely heavily on the combination of neural retrievers and readers. Retrieval is typically performed over a large textual…
Recurrent neural networks (RNNs) in combination with a pooling operator and the neighbourhood components analysis (NCA) objective function are able to detect the characterizing dynamics of sequences and embed them into a fixed-length vector…
While high-dimensional embedding vectors are being increasingly employed in various tasks like Retrieval-Augmented Generation and Recommendation Systems, popular dimensionality reduction (DR) methods such as PCA and UMAP have rarely been…
Support vector machine (SVM) based multivariate pattern analysis (MVPA) has delivered promising performance in decoding specific task states based on functional magnetic resonance imaging (fMRI) of the human brain. Conventionally, the…
Deep convolutional neural networks (CNN) has become the most promising method for object recognition, repeatedly demonstrating record breaking results for image classification and object detection in recent years. However, a very deep CNN…