相关论文: Multi-Task Multi-Fidelity Learning of Properties f…

Deep learning models are yielding increasingly better performances thanks to multiple factors. To be successful, model may have large number of parameters or complex architectures and be trained on large dataset. This leads to large…

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

The key to success in machine learning (ML) is the use of effective data representations. Traditionally, data representations were hand-crafted. Recently it has been demonstrated that, given sufficient data, deep neural networks can learn…

This paper explores learned-context neural networks. It is a multi-task learning architecture based on a fully shared neural network and an augmented input vector containing trainable task parameters. The architecture is interesting due to…

When faced with learning a set of inter-related tasks from a limited amount of usable data, learning each task independently may lead to poor generalization performance. Multi-Task Learning (MTL) exploits the latent relations between tasks…

In recent years, multi-task learning has turned out to be of great success in various applications. Though single model training has promised great results throughout these years, it ignores valuable information that might help us estimate…

With the advent of deep learning, many dense prediction tasks, i.e. tasks that produce pixel-level predictions, have seen significant performance improvements. The typical approach is to learn these tasks in isolation, that is, a separate…

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

The benefit of multi-task learning over single-task learning relies on the ability to use relations across tasks to improve performance on any single task. While sharing representations is an important mechanism to share information across…

Multi-task learning (MTL) is a machine learning technique aiming to improve model performance by leveraging information across many tasks. It has been used extensively on various data modalities, including electronic health record (EHR)…

We learn about the world from a diverse range of sensory information. Automated systems lack this ability as investigation has centred on processing information presented in a single form. Adapting architectures to learn from multiple…

Neural network based models have achieved impressive results on various specific tasks. However, in previous works, most models are learned separately based on single-task supervised objectives, which often suffer from insufficient training…

In principle, machine learning (ML) can be used to obtain any electronic property of a many-body system from its electron density within density functional theory. However, some physical quantities are highly sensitive to small variations…

Data scarcity and the high cost of annotation have long been persistent challenges in the field of materials science. Inspired by its potential in other fields like computer vision, we propose the MatWheel framework, which train the…

The aim of multi-task reinforcement learning is two-fold: (1) efficiently learn by training against multiple tasks and (2) quickly adapt, using limited samples, to a variety of new tasks. In this work, the tasks correspond to reward…

A learning task, understood as the problem of fitting a parametric model from supervised data, fundamentally requires the dataset to be large enough to be representative of the underlying distribution of the source. When data is limited,…

The classical approach to non-linear regression in physics, is to take a mathematical model describing the functional dependence of the dependent variable from a set of independent variables, and then, using non-linear fitting algorithms,…

The identification of descriptors of materials properties and functions that capture the underlying physical mechanisms is a critical goal in data-driven materials science. Only such descriptors will enable a trustful and efficient scanning…

Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal…

Overcoming the challenge of limited data availability within materials science is crucial for the broad-based applicability of machine learning within materials science. One pathway to overcome this limited data availability is to use the…