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The number of materials or molecules that can be created by combining different chemical elements in various proportions and spatial arrangements is enormous. Computational chemistry can be used to generate databases containing billions of potential struct ...
This thesis deals with exploiting the low-dimensional multi-subspace structure of speech towards the goal of improving acoustic modeling for automatic speech recognition (ASR). Leveraging the parsimonious hierarchical nature of speech, we hypothesize that ...
Over the last two decades, many technological and scientific discoveries, ranging from the development of materials for energy conversion and storage through the design of new drugs, have been accelerated by the use of preliminary in silico experiments, to ...
Finding a reduction of complex, high-dimensional dynamics to its essential, low-dimensional "heart" remains a challenging yet necessary prerequisite for designing efficient numerical approaches. Machine learning methods have the potential to provide a gene ...
Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the final quantity of i ...
Graph learning methods have recently been receiving increasing interest as means to infer structure in datasets. Most of the recent approaches focus on different relationships between a graph and data sample distributions, mostly in settings where all avai ...
Linear subspace models are pervasive in computational sciences and particularly used for large datasets which are often incomplete due to privacy issues or sampling constraints. Therefore, a critical problem is developing an efficient algorithm for detecti ...
The largest collections of art historical images are not found online but are safeguarded by museums and other cultural institutions in photographic libraries. These collections can encompass millions of reproductions of paintings, drawings, engravings and ...
In order to perform network analysis tasks, representations that capture the most relevant information in the graph structure are needed. However, existing methods learn representations that cannot be interpreted in a straightforward way and that are relat ...
In the Internet of Things (IoT), the large volume of data generated by sensors poses significant computational challenges in resource-constrained environments. Most existing machine learning algorithms are unable to train a proper model using a significant ...