Unsupervised Optimisation of GNNs for Node Clustering

Graph Neural Networks (GNNs) can be trained to detect communities within a graph by learning from the duality of feature and connectivity information. Currently, the common approach for optimisation of GNNs is to use comparisons to ground-truth for hyperparameter tuning and model selection. In this work, we show that nodes can be clustered into communities with GNNs by solely optimising for modularity, without any comparison to ground-truth. Although modularity is a graph partitioning quality metric, we show that this can be used to optimise GNNs that also encode features without a drop in performance. We take it a step further and also study whether the unsupervised metric performance can predict ground-truth performance. To investigate why modularity can be used to optimise GNNs, we design synthetic experiments that show the limitations of this approach. The synthetic graphs are created to highlight current capabilities in distinct, random and zero information space partitions in attributed graphs. We conclude that modularity can be used for hyperparameter optimisation and model selection on real-world datasets as well as being a suitable proxy for predicting ground-truth performance, however, GNNs fail to balance the information duality when the spaces contain conflicting signals.

An Investigation into Using Unsupervised Metrics to Optimise GNNs for Node Clustering

Graph Neural Networks (GNNs) can be trained to detect communities within a graph by learning from the duality of feature and connectivity information. Currently, the common approach for optimisation of GNNs is to use comparisons to ground-truth for hyperparameter tuning and model selection. In this work, we show that nodes can be clustered into communities with GNNs by solely optimising for modularity, without any comparison to ground-truth. Although modularity is a graph partitioning quality metric, we show that this can be used to optimise GNNs that also encode features without a drop in performance. We take it a step further and also study whether the unsupervised metric performance can predict ground-truth performance. To investigate why modularity can be used to optimise GNNs, we design synthetic experiments that show the limitations of this approach. The synthetic graphs are created to highlight current capabilities in distinct, random and zero information space partitions in attributed graphs. We conclude that modularity can be used for hyperparameter optimisation and model selection on real-world datasets as well as being a suitable proxy for predicting ground-truth performance, however, GNNs fail to balance the information duality when the spaces contain conflicting signals.

Uncertainty in GNN Learning Evaluations: A Comparison Between Measures for Quantifying Randomness in GNN Community Detection

(1) The enhanced capability of Graph Neural Networks (GNNs) in unsupervised community detection of clustered nodes is attributed to their capacity to encode both the connectivity and feature information spaces of graphs. The identification of latent communities holds practical significance in various domains, from social networks to genomics. Current real-world performance benchmarks are perplexing due to the multitude of decisions influencing GNN evaluations for this task. (2) Three metrics are compared to assess the consistency of algorithm rankings in the presence of randomness. The consistency and quality of performance between the results under a hyperparameter optimisation with the default hyperparameters is evaluated. (3) The results compare hyperparameter optimisation with default hyperparameters, revealing a significant performance loss when neglecting hyperparameter investigation. A comparison of metrics indicates that ties in ranks can substantially alter the quantification of randomness. (4) Ensuring adherence to the same evaluation criteria may result in notable differences in the reported performance of methods for this task. The $W$ Randomness coefficient, based on the Wasserstein distance, is identified as providing the most robust assessment of randomness.

A Framework for Exploring Federated Community Detection

Federated Learning is machine learning in the context of a network of clients whilst maintaining data residency and/or privacy constraints. Community detection is the unsupervised discovery of clusters of nodes within graph-structured data. The intersection of these two fields uncovers much opportunity, but also challenge. For example, it adds complexity due to missing connectivity information between privately held graphs. In this work, we explore the potential of federated community detection by conducting initial experiments across a range of existing datasets that showcase the gap in performance introduced by the distributed data. We demonstrate that isolated models would benefit from collaboration establishing a framework for investigating challenges within this domain. The intricacies of these research frontiers are discussed alongside proposed solutions to these issues.

The Safety Challenges of Deep Learning in Real-World Type 1 Diabetes Management

Blood glucose simulation allows the effectiveness of type 1 diabetes (T1D) management strategies to be evaluated without patient harm. Deep learning algorithms provide a promising avenue for extending simulator capabilities; however, these algorithms are limited in that they do not necessarily learn physiologically correct glucose dynamics and can learn incorrect and potentially dangerous relationships from confounders in training data. This is likely to be more important in real-world scenarios, as data is not collected under strict research protocol. This work explores the implications of using deep learning algorithms trained on real-world data to model glucose dynamics. Free-living data was processed from the OpenAPS Data Commons and supplemented with patient-reported tags of challenging diabetes events, constituting one of the most detailed real-world T1D datasets. This dataset was used to train and evaluate state-of-the-art glucose simulators, comparing their prediction error across safety critical scenarios and assessing the physiological appropriateness of the learned dynamics using Shapley Additive Explanations (SHAP). While deep learning prediction accuracy surpassed the widely-used mathematical simulator approach, the model deteriorated in safety critical scenarios and struggled to leverage self-reported meal and exercise information. SHAP value analysis also indicated the model had fundamentally confused the roles of insulin and carbohydrates, which is one of the most basic T1D management principles. This work highlights the importance of considering physiological appropriateness when using deep learning to model real-world systems in T1D and healthcare more broadly, and provides recommendations for building models that are robust to real-world data constraints.

Multimodal Indoor Localisation in Parkinson's Disease for Detecting Medication Use: Observational Pilot Study in a Free-Living Setting

Parkinson's disease (PD) is a slowly progressive, debilitating neurodegenerative disease which causes motor symptoms including gait dysfunction. Motor fluctuations are alterations between periods with a positive response to levodopa therapy ("on") and periods marked by re-emergency of PD symptoms ("off") as the response to medication wears off. These fluctuations often affect gait speed and they increase in their disabling impact as PD progresses. To improve the effectiveness of current indoor localisation methods, a transformer-based approach utilising dual modalities which provide complementary views of movement, Received Signal Strength Indicator (RSSI) and accelerometer data from wearable devices, is proposed. A sub-objective aims to evaluate whether indoor localisation, including its in-home gait speed features (i.e. the time taken to walk between rooms), could be used to evaluate motor fluctuations by detecting whether the person with PD is taking levodopa medications or withholding them. To properly evaluate our proposed method, we use a free-living dataset where the movements and mobility are greatly varied and unstructured as expected in real-world conditions. 24 participants lived in pairs (consisting of one person with PD, one control) for five days in a smart home with various sensors. Our evaluation on the resulting dataset demonstrates that our proposed network outperforms other methods for indoor localisation. The sub-objective evaluation shows that precise room-level localisation predictions, transformed into in-home gait speed features, produce accurate predictions on whether the PD participant is taking or withholding their medications.

Privacy in Multimodal Federated Human Activity Recognition

Human Activity Recognition (HAR) training data is often privacy-sensitive or held by non-cooperative entities. Federated Learning (FL) addresses such concerns by training ML models on edge clients. This work studies the impact of privacy in federated HAR at a user, environment, and sensor level. We show that the performance of FL for HAR depends on the assumed privacy level of the FL system and primarily upon the colocation of data from different sensors. By avoiding data sharing and assuming privacy at the human or environment level, as prior works have done, the accuracy decreases by 5-7%. However, extending this to the modality level and strictly separating sensor data between multiple clients may decrease the accuracy by 19-42%. As this form of privacy is necessary for the ethical utilisation of passive sensing methods in HAR, we implement a system where clients mutually train both a general FL model and a group-level one per modality. Our evaluation shows that this method leads to only a 7-13% decrease in accuracy, making it possible to build HAR systems with diverse hardware.

Search for the UGLE Truth: An Investigation into Unsupervised GNN Learning Environments

Graph Neural Networks (GNNs) are a pertinent tool for any machine learning task due to their ability to learn functions over graph structures, a powerful and expressive data representation. The detection of communities, an unsupervised task has increasingly been performed with GNNs. Clustering nodes in a graph using the multi-dimensionality of node features with the connectivity of the graph has many applications to real world tasks from social networks to genomics. Unfortunately, there is currently a gap in the literature with no established sufficient benchmarking environment for fairly and rigorously evaluating GNN based community detection, thereby potentially impeding progress in this nascent field. We observe the particular difficulties in this setting is the ambiguous hyperparameter tuning environments combined with conflicting metrics of performance and evaluation datasets. In this work, we propose and evaluate frameworks for the consistent comparisons of community detection algorithms using GNNs. With this, we show the strong dependence of the performance to the experimental settings, exacerbated by factors such as the use of GNNs and the unsupervised nature of the task, providing clear motivation for the use of a framework to facilitate congruent research in the field.

Multimodal Indoor Localisation for Measuring Mobility in Parkinson's Disease using Transformers

Parkinson's disease (PD) is a slowly progressive debilitating neurodegenerative disease which is prominently characterised by motor symptoms. Indoor localisation, including number and speed of room to room transitions, provides a proxy outcome which represents mobility and could be used as a digital biomarker to quantify how mobility changes as this disease progresses. We use data collected from 10 people with Parkinson's, and 10 controls, each of whom lived for five days in a smart home with various sensors. In order to more effectively localise them indoors, we propose a transformer-based approach utilizing two data modalities, Received Signal Strength Indicator (RSSI) and accelerometer data from wearable devices, which provide complementary views of movement. Our approach makes asymmetric and dynamic correlations by a) learning temporal correlations at different scales and levels, and b) utilizing various gating mechanisms to select relevant features within modality and suppress unnecessary modalities. On a dataset with real patients, we demonstrate that our proposed method gives an average accuracy of 89.9%, outperforming competitors. We also show that our model is able to better predict in-home mobility for people with Parkinson's with an average offset of 1.13 seconds to ground truth.