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Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

Foundation models are rapidly transforming Earth Observation data mining by enabling generalizable and scalable solutions for key tasks such as scene classification and semantic segmentation. While most efforts in the geospatial domain have…

Computer Vision and Pattern Recognition · Computer Science 2025-06-27 Man Duc Chuc

With the introduction of cyber-physical genome sequencing and editing technologies, such as CRISPR, researchers can more easily access tools to investigate and create remedies for a variety of topics in genetics and health science (e.g.…

Machine Learning · Computer Science 2026-02-19 Joseph Bingham , Netanel Arussy , Saman Zonouz

Embodied foundation models are gaining increasing attention for their zero-shot generalization, scalability, and adaptability to new tasks through few-shot post-training. However, existing models rely heavily on real-world data, which is…

CRISPR systems experience off-target effects that interfere with the ability to accurately perform genetic edits. While empirical models predict off-target effects in specific platforms, there is a gap for a wide-ranging mechanistic model…

Biomolecules · Quantitative Biology 2021-09-30 Aset Khakimzhan , David Garenne , Benjamin I. Tickman , Jason Fontana , James Carothers , Vincent Noireaux

Biological foundation models (BioFMs), pretrained on large-scale biological sequences, have recently shown strong potential in providing meaningful representations for diverse downstream bioinformatics tasks. However, such models often rely…

Machine Learning · Computer Science 2026-02-10 Yifan Wu , Jiyue Jiang , Xichen Ye , Yiqi Wang , Chang Zhou , Yitao Xu , Jiayang Chen , He Hu , Weizhong Zhang , Cheng Jin , Jiao Yuan , Yu Li

We survey applications of pretrained foundation models in robotics. Traditional deep learning models in robotics are trained on small datasets tailored for specific tasks, which limits their adaptability across diverse applications. In…

Developing physics-based models for molecular simulation requires fitting many unknown parameters to diverse experimental datasets. Traditionally, this process is piecemeal and difficult to reproduce, leading to a fragmented landscape of…

Biological Physics · Physics 2025-04-10 Ryan K. Krueger , Megan C. Engel , Ryan Hausen , Michael P. Brenner

Chemical pretrained models, sometimes referred to as foundation models, are receiving considerable interest for drug discovery applications. The general chemical knowledge extracted from self-supervised training has the potential to improve…

Machine Learning · Computer Science 2025-10-15 Matthew Adrian , Yunsie Chung , Kevin Boyd , Saee Paliwal , Srimukh Prasad Veccham , Alan C. Cheng

Healthcare data now span EHRs, medical imaging, genomics, and wearable sensors, but most diagnostic models still process these modalities in isolation. This limits their ability to capture early, cross-modal disease signatures. This paper…

Machine Learning · Computer Science 2025-12-18 Md Talha Mohsin , Ismail Abdulrashid

We propose a mask pretraining method for Graph Neural Networks (GNNs) to improve their performance on fitting potential energy surfaces, particularly in water systems. GNNs are pretrained by recovering spatial information related to…

Machine Learning · Computer Science 2024-06-21 Zehua Zhang , Zijie Li , Amir Barati Farimani

In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due to their thermodynamic consistency with the…

Computational Physics · Physics 2022-11-01 Blake R. Duschatko , Jonathan Vandermause , Nicola Molinari , Boris Kozinsky

The kinetic folding of RNA sequences into secondary structures is modeled as a complex adaptive system, the components of which are possible RNA structural rearrangements (SRs) and their associated bases and base pairs. RNA bases and base…

Biomolecules · Quantitative Biology 2007-05-23 Wilfred Ndifon

Predictive coding (PC) is a general theory of cortical function. The local, gradient-based learning rules found in one kind of PC model have recently been shown to closely approximate backpropagation. This finding suggests that this…

Neural and Evolutionary Computing · Computer Science 2021-12-09 Nick Alonso , Emre Neftci

Fine-tuning large-scale pretrained models has led to tremendous progress in well-studied modalities such as vision and NLP. However, similar gains have not been observed in many other modalities due to a lack of relevant pretrained models.…

Machine Learning · Computer Science 2023-03-21 Junhong Shen , Liam Li , Lucio M. Dery , Corey Staten , Mikhail Khodak , Graham Neubig , Ameet Talwalkar

Many healthcare applications are inherently multimodal, involving several physiological signals. As sensors for these signals become more common, improving machine learning methods for multimodal healthcare data is crucial. Pretraining…

Machine Learning · Computer Science 2024-10-23 Ching Fang , Christopher Sandino , Behrooz Mahasseni , Juri Minxha , Hadi Pouransari , Erdrin Azemi , Ali Moin , Ellen Zippi

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Machine Learning · Computer Science 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

Foundation models have demonstrated remarkable generalization, data efficiency, and robustness properties across various domains. In this paper, we explore the feasibility of foundation models for applications in the control domain. The…

Machine Learning · Computer Science 2024-12-18 Martin Ziegler , Andres Felipe Posada-Moreno , Friedrich Solowjow , Sebastian Trimpe

Language models pretrained on text from a wide variety of sources form the foundation of today's NLP. In light of the success of these broad-coverage models, we investigate whether it is still helpful to tailor a pretrained model to the…

Computation and Language · Computer Science 2020-05-07 Suchin Gururangan , Ana Marasović , Swabha Swayamdipta , Kyle Lo , Iz Beltagy , Doug Downey , Noah A. Smith