Tianyu Cui

Artem Moskalev, Mangal Prakash, Junjie Xu et al.

Processing global geometric context while preserving equivariance is crucial when modeling biological, chemical, and physical systems. Yet, this is challenging due to the computational demands of equivariance and global context at scale. Standard methods such as equivariant self-attention suffer from quadratic complexity, while local methods such as distance-based message passing sacrifice global information. Inspired by the recent success of state-space and long-convolutional models, we introduce Geometric Hyena, the first equivariant long-convolutional model for geometric systems. Geometric Hyena captures global geometric context at sub-quadratic complexity while maintaining equivariance to rotations and translations. Evaluated on all-atom property prediction of large RNA molecules and full protein molecular dynamics, Geometric Hyena outperforms existing equivariant models while requiring significantly less memory and compute that equivariant self-attention. Notably, our model processes the geometric context of 30k tokens 20x faster than the equivariant transformer and allows 72x longer context within the same budget.

Alexander Capstick, Tianyu Cui, Yu Chen et al.

Time-series representation learning is a key area of research for remote healthcare monitoring applications. In this work, we focus on a dataset of recordings of in-home activity from people living with Dementia. We design a representation learning method based on converting activity to text strings that can be encoded using a language model fine-tuned to transform data from the same participants within a $30$-day window to similar embeddings in the vector space. This allows for clustering and vector searching over participants and days, and the identification of activity deviations to aid with personalised delivery of care.

Yu Chen, Tianyu Cui, Alexander Capstick et al.

In Explainable AI, rule extraction translates model knowledge into logical rules, such as IF-THEN statements, crucial for understanding patterns learned by black-box models. This could significantly aid in fields like disease diagnosis, disease progression estimation, or drug discovery. However, such application domains often contain imbalanced data, with the class of interest underrepresented. Existing methods inevitably compromise the performance of rules for the minor class to maximise the overall performance. As the first attempt in this field, we propose a model-agnostic approach for extracting rules from specific subgroups of data, featuring automatic rule generation for numerical features. This method enhances the regional explainability of machine learning models and offers wider applicability compared to existing methods. We additionally introduce a new method for selecting features to compose rules, reducing computational costs in high-dimensional spaces. Experiments across various datasets and models demonstrate the effectiveness of our methods.