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Massively multitask neural architectures provide a learning framework for drug discovery that synthesizes information from many distinct biological sources. To train these architectures at scale, we gather large amounts of data from public…

Machine Learning · Statistics 2015-02-10 Bharath Ramsundar , Steven Kearnes , Patrick Riley , Dale Webster , David Konerding , Vijay Pande

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

Microstructure--property relationships are key to effective design of structural materials for advanced applications. Advances in computational methods enabled modeling microstructure-sensitive properties using 3D models (e.g., finite…

Materials Science · Physics 2023-03-20 Guangyu Hu , Marat I. Latypov

We present a novel deep learning (DL) approach to produce highly accurate predictions of macroscopic physical properties of solid solution binary alloys and magnetic systems. The major idea is to make use of the correlations between…

Computational Physics · Physics 2021-01-29 Massimiliano Lupo Pasini , Ying Wai Li , Junqi Yin , Jiaxin Zhang , Kipton Barros , Markus Eisenbach

Multi-task learning (MTL) is a subfield of machine learning in which multiple tasks are simultaneously learned by a shared model. Such approaches offer advantages like improved data efficiency, reduced overfitting through shared…

Machine Learning · Computer Science 2020-09-22 Michael Crawshaw

Supervised machine learning based state-of-the-art computer vision techniques are in general data hungry and pose the challenges of not having adequate computing resources and of high costs involved in human labeling efforts. Training data…

Computer Vision and Pattern Recognition · Computer Science 2018-05-30 Vishal Kaushal , Anurag Sahoo , Khoshrav Doctor , Narasimha Raju , Suyash Shetty , Pankaj Singh , Rishabh Iyer , Ganesh Ramakrishnan

Multi-task learning has recently become a very active field in deep learning research. In contrast to learning a single task in isolation, multiple tasks are learned at the same time, thereby utilizing the training signal of related tasks…

Computation and Language · Computer Science 2019-04-24 Tobias Kahse

It is important to accurately model materials' properties at lower length scales (micro-level) while translating the effects to the components and/or system level (macro-level) can significantly reduce the amount of experimentation required…

Computers and Society · Computer Science 2022-11-08 Kazuma Kobayashi , Shoaib Usman , Carlos Castano , Dinesh Kumar , Syed Alam

Numerous deep learning applications benefit from multi-task learning with multiple regression and classification objectives. In this paper we make the observation that the performance of such systems is strongly dependent on the relative…

Computer Vision and Pattern Recognition · Computer Science 2018-04-25 Alex Kendall , Yarin Gal , Roberto Cipolla

As humans learn new skills and apply their existing knowledge while maintaining previously learned information, "continual learning" in machine learning aims to incorporate new data while retaining and utilizing past knowledge. However,…

Robotics · Computer Science 2025-07-29 Hanne Say , Suzan Ece Ada , Emre Ugur , Minoru Asada , Erhan Oztop

Despite increasing focus on data publication and discovery in materials science and related fields, the global view of materials data is highly sparse. This sparsity encourages training models on the union of multiple datasets, but simple…

Machine Learning · Computer Science 2017-11-15 Maxwell L. Hutchinson , Erin Antono , Brenna M. Gibbons , Sean Paradiso , Julia Ling , Bryce Meredig

Deep networks trained on large-scale data can learn transferable features to promote learning multiple tasks. Since deep features eventually transition from general to specific along deep networks, a fundamental problem of multi-task…

Machine Learning · Computer Science 2017-11-07 Mingsheng Long , Zhangjie Cao , Jianmin Wang , Philip S. Yu

The availability of temporal geospatial data in multiple modalities has been extensively leveraged to enhance the performance of machine learning models. While efforts on the design of adequate model architectures are approaching a level of…

Machine Learning · Computer Science 2024-08-22 Hiba Najjar , Marlon Nuske , Andreas Dengel

The application of machine learning in materials presents a unique challenge of dealing with scarce and varied materials data - both experimental and theoretical. Nevertheless, several state-of-the-art machine learning models for materials…

In computational materials science, mechanical properties are typically extracted from simulations by means of analysis routines that seek to mimic their experimental counterparts. However, simulated data often exhibit uncertainties that…

Data Analysis, Statistics and Probability · Physics 2017-12-07 Paul N. Patrone , Anthony J. Kearsley , Andrew M. Dienstfrey

Multi-task learning (MTL) improves prediction performance in different contexts by learning models jointly on multiple different, but related tasks. Network data, which are a priori data with a rich relational structure, provide an…

Machine Learning · Statistics 2014-11-11 Chen Fang , Daniel N. Rockmore

We investigate whether and where multi-task learning (MTL) can improve performance on NLP problems related to argumentation mining (AM), in particular argument component identification. Our results show that MTL performs particularly well…

Computation and Language · Computer Science 2018-05-07 Claudia Schulz , Steffen Eger , Johannes Daxenberger , Tobias Kahse , Iryna Gurevych

We introduce machine learning (ML) models that predict the electronic structure of materials across a wide temperature range. Our models employ neural networks and are trained on density functional theory (DFT) data. Unlike most other ML…

Materials Science · Physics 2023-10-02 Lenz Fiedler , Normand A. Modine , Kyle D. Miller , Attila Cangi

The transition from traditional power grids to smart grids, significant increase in the use of renewable energy sources, and soaring electricity prices has triggered a digital transformation of the energy infrastructure that enables new,…

Machine Learning · Computer Science 2025-05-30 Carolina Fortuna , Gregor Cerar , Blaz Bertalanic , Andrej Campa , Mihael Mohorcic

Multimodal machine learning with missing modalities is an increasingly relevant challenge arising in various applications such as healthcare. This paper extends the current research into missing modalities to the low-data regime, i.e., a…

Machine Learning · Computer Science 2024-03-27 Zhuo Zhi , Ziquan Liu , Moe Elbadawi , Adam Daneshmend , Mine Orlu , Abdul Basit , Andreas Demosthenous , Miguel Rodrigues