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In this work, we perform a wide variety of experiments with different deep learning architectures on datasets of limited size. According to our study, we show that model complexity is a critical factor when only a few samples per class are…
High-fidelity full-field micro-mechanical modeling of the non-linear path-dependent materials demands a substantial computational effort. Recent trends in the field incorporates data-driven Artificial Neural Networks (ANNs) as surrogate…
Imbalanced classification and spurious correlation are common challenges in data science and machine learning. Both issues are linked to data imbalance, with certain groups of data samples significantly underrepresented, which in turn would…
Machine-learning models are increasingly used to predict properties of atoms in chemical systems. There have been major advances in developing descriptors and regression frameworks for this task, typically starting from (relatively) small…
Synthetic augmentation is increasingly used to mitigate data scarcity in financial machine learning, yet its statistical role remains poorly understood. We formalize synthetic augmentation as a modification of the effective training…
Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…
Learning with limited data is one of the biggest problems of machine learning. Current approaches to this issue consist in learning general representations from huge amounts of data before fine-tuning the model on a small dataset of…
Learning from imbalanced data is one of the most significant challenges in real-world classification tasks. In such cases, neural networks performance is substantially impaired due to preference towards the majority class. Existing…
Data augmentation is rapidly gaining attention in machine learning. Synthetic data can be generated by simple transformations or through the data distribution. In the latter case, the main challenge is to estimate the label associated to…
In this paper we investigate the benefit of augmenting data with synthetically created samples when training a machine learning classifier. Two approaches for creating additional training samples are data warping, which generates additional…
Mechanical metamaterials are usually designed to show desired responses to prescribed forces. In some applications, the desired force-response relationship might be hard to specify exactly, although examples of forces and corresponding…
We propose a multi-level method to increase the accuracy of machine learning algorithms for approximating observables in scientific computing, particularly those that arise in systems modeled by differential equations. The algorithm relies…
Recent work in learning ontologies (hierarchical and partially-ordered structures) has leveraged the intrinsic geometry of spaces of learned representations to make predictions that automatically obey complex structural constraints. We…
Traditionally, in supervised machine learning, (a significant) part of the available data (usually 50% to 80%) is used for training and the rest for validation. In many problems, however, the data is highly imbalanced in regard to different…
Machine learning techniques are used to predict theoretical constraints such as unitarity and boundedness from below in extensions of the Standard Model. This approach has proven effective for models incorporating additional SU(2) scalar…
Learning in weight spaces, where neural networks process the weights of other deep neural networks, has emerged as a promising research direction with applications in various fields, from analyzing and editing neural fields and implicit…
Data Science and Machine learning have been growing strong for the past decade. We argue that to make the most of this exciting field we should resist the temptation of assuming that forecasting can be reduced to brute-force data analytics.…
Incremental learning from non-stationary data poses special challenges to the field of machine learning. Although new algorithms have been developed for this, assessment of results and comparison of behaviors are still open problems, mainly…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
The era of huge data necessitates highly efficient machine learning algorithms. Many common machine learning algorithms, however, rely on computationally intensive subroutines that are prohibitively expensive on large datasets. Oftentimes,…