Xiaowen Dong

Xingyue Pu, Stephen Roberts, Xiaowen Dong et al.

We investigate the concept of network momentum, a novel trading signal derived from momentum spillover across assets. Initially observed within the confines of pairwise economic and fundamental ties, such as the stock-bond connection of the same company and stocks linked through supply-demand chains, momentum spillover implies a propagation of momentum risk premium from one asset to another. The similarity of momentum risk premium, exemplified by co-movement patterns, has been spotted across multiple asset classes including commodities, equities, bonds and currencies. However, studying the network effect of momentum spillover across these classes has been challenging due to a lack of readily available common characteristics or economic ties beyond the company level. In this paper, we explore the interconnections of momentum features across a diverse range of 64 continuous future contracts spanning these four classes. We utilise a linear and interpretable graph learning model with minimal assumptions to reveal the intricacies of the momentum spillover network. By leveraging the learned networks, we construct a network momentum strategy that exhibits a Sharpe ratio of 1.5 and an annual return of 22%, after volatility scaling, from 2000 to 2022. This paper pioneers the examination of momentum spillover across multiple asset classes using only pricing data, presents a multi-asset investment strategy based on network momentum, and underscores the effectiveness of this strategy through robust empirical analysis.

Chao Zhang, Xingyue Pu, Mihai Cucuringu et al.

We present a novel methodology for modeling and forecasting multivariate realized volatilities using customized graph neural networks to incorporate spillover effects across stocks. The proposed model offers the benefits of incorporating spillover effects from multi-hop neighbors, capturing nonlinear relationships, and flexible training with different loss functions. Our empirical findings provide compelling evidence that incorporating spillover effects from multi-hop neighbors alone does not yield a clear advantage in terms of predictive accuracy. However, modeling nonlinear spillover effects enhances the forecasting accuracy of realized volatilities, particularly for short-term horizons of up to one week. Moreover, our results consistently indicate that training with the Quasi-likelihood loss leads to substantial improvements in model performance compared to the commonly-used mean squared error. A comprehensive series of empirical evaluations in alternative settings confirm the robustness of our results.

Xingyue Pu, Stefan Zohren, Stephen Roberts et al.

Network momentum provides a novel type of risk premium, which exploits the interconnections among assets in a financial network to predict future returns. However, the current process of constructing financial networks relies heavily on expensive databases and financial expertise, limiting accessibility for small-sized and academic institutions. Furthermore, the traditional approach treats network construction and portfolio optimisation as separate tasks, potentially hindering optimal portfolio performance. To address these challenges, we propose L2GMOM, an end-to-end machine learning framework that simultaneously learns financial networks and optimises trading signals for network momentum strategies. The model of L2GMOM is a neural network with a highly interpretable forward propagation architecture, which is derived from algorithm unrolling. The L2GMOM is flexible and can be trained with diverse loss functions for portfolio performance, e.g. the negative Sharpe ratio. Backtesting on 64 continuous future contracts demonstrates a significant improvement in portfolio profitability and risk control, with a Sharpe ratio of 1.74 across a 20-year period.

Haitz Sáez de Ocáriz Borde, Anastasis Kratsios, Marc T. Law et al. · eth-zurich

We propose a class of trainable deep learning-based geometries called Neural Spacetimes (NSTs), which can universally represent nodes in weighted directed acyclic graphs (DAGs) as events in a spacetime manifold. While most works in the literature focus on undirected graph representation learning or causality embedding separately, our differentiable geometry can encode both graph edge weights in its spatial dimensions and causality in the form of edge directionality in its temporal dimensions. We use a product manifold that combines a quasi-metric (for space) and a partial order (for time). NSTs are implemented as three neural networks trained in an end-to-end manner: an embedding network, which learns to optimize the location of nodes as events in the spacetime manifold, and two other networks that optimize the space and time geometries in parallel, which we call a neural (quasi-)metric and a neural partial order, respectively. The latter two networks leverage recent ideas at the intersection of fractal geometry and deep learning to shape the geometry of the representation space in a data-driven fashion, unlike other works in the literature that use fixed spacetime manifolds such as Minkowski space or De Sitter space to embed DAGs. Our main theoretical guarantee is a universal embedding theorem, showing that any $k$-point DAG can be embedded into an NST with $1+\mathcal{O}(\log(k))$ distortion while exactly preserving its causal structure. The total number of parameters defining the NST is sub-cubic in $k$ and linear in the width of the DAG. If the DAG has a planar Hasse diagram, this is improved to $\mathcal{O}(\log(k)) + 2)$ spatial and 2 temporal dimensions. We validate our framework computationally with synthetic weighted DAGs and real-world network embeddings; in both cases, the NSTs achieve lower embedding distortions than their counterparts using fixed spacetime geometries.

Haitz Saez de Ocariz Borde, Alvaro Arroyo, Ismael Morales et al.

Recent research indicates that the performance of machine learning models can be improved by aligning the geometry of the latent space with the underlying data structure. Rather than relying solely on Euclidean space, researchers have proposed using hyperbolic and spherical spaces with constant curvature, or combinations thereof, to better model the latent space and enhance model performance. However, little attention has been given to the problem of automatically identifying the optimal latent geometry for the downstream task. We mathematically define this novel formulation and coin it as neural latent geometry search (NLGS). More specifically, we introduce an initial attempt to search for a latent geometry composed of a product of constant curvature model spaces with a small number of query evaluations, under some simplifying assumptions. To accomplish this, we propose a novel notion of distance between candidate latent geometries based on the Gromov-Hausdorff distance from metric geometry. In order to compute the Gromov-Hausdorff distance, we introduce a mapping function that enables the comparison of different manifolds by embedding them in a common high-dimensional ambient space. We then design a graph search space based on the notion of smoothness between latent geometries and employ the calculated distances as an additional inductive bias. Finally, we use Bayesian optimization to search for the optimal latent geometry in a query-efficient manner. This is a general method which can be applied to search for the optimal latent geometry for a variety of models and downstream tasks. We perform experiments on synthetic and real-world datasets to identify the optimal latent geometry for multiple machine learning problems.

Haitz Saez de Ocariz Borde, Alvaro Arroyo, Ismael Morales et al.

Recent studies propose enhancing machine learning models by aligning the geometric characteristics of the latent space with the underlying data structure. Instead of relying solely on Euclidean space, researchers have suggested using hyperbolic and spherical spaces with constant curvature, or their combinations (known as product manifolds), to improve model performance. However, there exists no principled technique to determine the best latent product manifold signature, which refers to the choice and dimensionality of manifold components. To address this, we introduce a novel notion of distance between candidate latent geometries using the Gromov-Hausdorff distance from metric geometry. We propose using a graph search space that uses the estimated Gromov-Hausdorff distances to search for the optimal latent geometry. In this work we focus on providing a description of an algorithm to compute the Gromov-Hausdorff distance between model spaces and its computational implementation.

Nagham Osman, Keyue Jiang, Davide Buffelli et al.

Graph generation is a critical task across scientific domains. Existing methods fall broadly into two categories: autoregressive models, which iteratively expand graphs, and one-shot models, such as diffusion, which generate the full graph at once. In this work, we provide an analysis of these two paradigms and reveal a key trade-off: autoregressive models stand out in capturing fine-grained local structures, such as degree and clustering properties, whereas one-shot models excel at modeling global patterns, such as spectral distributions. Building on this, we propose LGDC (latent graph diffusion via spectrum-preserving coarsening), a hybrid framework that combines strengths of both approaches. LGDC employs a spectrum-preserving coarsening-decoarsening to bidirectionally map between graphs and a latent space, where diffusion efficiently generates latent graphs before expansion restores detail. This design captures both local and global properties with improved efficiency. Empirically, LGDC matches autoregressive models on locally structured datasets (Tree) and diffusion models on globally structured ones (Planar, Community-20), validating the benefits of hybrid generation.

Bohan Tang, Siheng Chen, Xiaowen Dong

Hypergraphs are vital in modelling data with higher-order relations containing more than two entities, gaining prominence in machine learning and signal processing. Many hypergraph neural networks leverage message passing over hypergraph structures to enhance node representation learning, yielding impressive performances in tasks like hypergraph node classification. However, these message-passing-based models face several challenges, including oversmoothing as well as high latency and sensitivity to structural perturbations at inference time. To tackle those challenges, we propose an alternative approach where we integrate the information about hypergraph structures into training supervision without explicit message passing, thus also removing the reliance on it at inference. Specifically, we introduce Hypergraph-MLP, a novel learning framework for hypergraph-structured data, where the learning model is a straightforward multilayer perceptron (MLP) supervised by a loss function based on a notion of signal smoothness on hypergraphs. Experiments on hypergraph node classification tasks demonstrate that Hypergraph-MLP achieves competitive performance compared to existing baselines, and is considerably faster and more robust against structural perturbations at inference.

Zexi Liu, Bohan Tang, Ziyuan Ye et al.

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering remarkable performance across various tasks, e.g., hypergraph node classification. However, these models struggle to capture global structural information due to their reliance on local message passing. To address this challenge, we propose a novel hypergraph learning framework, HyperGraph Transformer (HyperGT). HyperGT uses a Transformer-based neural network architecture to effectively consider global correlations among all nodes and hyperedges. To incorporate local structural information, HyperGT has two distinct designs: i) a positional encoding based on the hypergraph incidence matrix, offering valuable insights into node-node and hyperedge-hyperedge interactions; and ii) a hypergraph structure regularization in the loss function, capturing connectivities between nodes and hyperedges. Through these designs, HyperGT achieves comprehensive hypergraph representation learning by effectively incorporating global interactions while preserving local connectivity patterns. Extensive experiments conducted on real-world hypergraph node classification tasks showcase that HyperGT consistently outperforms existing methods, establishing new state-of-the-art benchmarks. Ablation studies affirm the effectiveness of the individual designs of our model.

Fernando Moreno-Pino, Álvaro Arroyo, Harrison Waldon et al.

Time-series data in real-world medical settings typically exhibit long-range dependencies and are observed at non-uniform intervals. In such contexts, traditional sequence-based recurrent models struggle. To overcome this, researchers replace recurrent architectures with Neural ODE-based models to model irregularly sampled data and use Transformer-based architectures to account for long-range dependencies. Despite the success of these two approaches, both incur very high computational costs for input sequences of moderate lengths and greater. To mitigate this, we introduce the Rough Transformer, a variation of the Transformer model which operates on continuous-time representations of input sequences and incurs significantly reduced computational costs, critical for addressing long-range dependencies common in medical contexts. In particular, we propose multi-view signature attention, which uses path signatures to augment vanilla attention and to capture both local and global dependencies in input data, while remaining robust to changes in the sequence length and sampling frequency. We find that Rough Transformers consistently outperform their vanilla attention counterparts while obtaining the benefits of Neural ODE-based models using a fraction of the computational time and memory resources on synthetic and real-world time-series tasks.

Marco Pacini, Xiaowen Dong, Bruno Lepri et al.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Huidong Liang, Haitz Sáez de Ocáriz Borde, Baskaran Sripathmanathan et al.

Long-range dependencies are critical for effective graph representation learning, yet most existing datasets focus on small graphs tailored to inductive tasks, offering limited insight into long-range interactions. Current evaluations primarily compare models employing global attention (e.g., graph transformers) with those using local neighborhood aggregation (e.g., message-passing neural networks) without a direct measurement of long-range dependency. In this work, we introduce City-Networks, a novel large-scale transductive learning dataset derived from real-world city road networks. This dataset features graphs with over 100k nodes and significantly larger diameters than those in existing benchmarks, naturally embodying long-range information. We annotate the graphs based on local node eccentricities, ensuring that the classification task inherently requires information from distant nodes. Furthermore, we propose a model-agnostic measurement based on the Jacobians of neighbors from distant hops, offering a principled quantification of long-range dependencies. Finally, we provide theoretical justifications for both our dataset design and the proposed measurement-particularly by focusing on over-smoothing and influence score dilution-which establishes a robust foundation for further exploration of long-range interactions in graph neural networks.

Haitz Sáez de Ocáriz Borde, Artem Lukoianov, Anastasis Kratsios et al.

We propose Scalable Message Passing Neural Networks (SMPNNs) and demonstrate that, by integrating standard convolutional message passing into a Pre-Layer Normalization Transformer-style block instead of attention, we can produce high-performing deep message-passing-based Graph Neural Networks (GNNs). This modification yields results competitive with the state-of-the-art in large graph transductive learning, particularly outperforming the best Graph Transformers in the literature, without requiring the otherwise computationally and memory-expensive attention mechanism. Our architecture not only scales to large graphs but also makes it possible to construct deep message-passing networks, unlike simple GNNs, which have traditionally been constrained to shallow architectures due to oversmoothing. Moreover, we provide a new theoretical analysis of oversmoothing based on universal approximation which we use to motivate SMPNNs. We show that in the context of graph convolutions, residual connections are necessary for maintaining the universal approximation properties of downstream learners and that removing them can lead to a loss of universality.

Ali Hariri, Álvaro Arroyo, Alessio Gravina et al.

ChebNet, one of the earliest spectral GNNs, has largely been overshadowed by Message Passing Neural Networks (MPNNs), which gained popularity for their simplicity and effectiveness in capturing local graph structure. Despite their success, MPNNs are limited in their ability to capture long-range dependencies between nodes. This has led researchers to adapt MPNNs through rewiring or make use of Graph Transformers, which compromises the computational efficiency that characterized early spatial message-passing architectures, and typically disregards the graph structure. Almost a decade after its original introduction, we revisit ChebNet to shed light on its ability to model distant node interactions. We find that out-of-box, ChebNet already shows competitive advantages relative to classical MPNNs and GTs on long-range benchmarks, while maintaining good scalability properties for high-order polynomials. However, we uncover that this polynomial expansion leads ChebNet to an unstable regime during training. To address this limitation, we cast ChebNet as a stable and non-dissipative dynamical system, which we coin Stable-ChebNet. Our Stable-ChebNet model allows for stable information propagation, and has controllable dynamics which do not require the use of eigendecompositions, positional encodings, or graph rewiring. Across several benchmarks, Stable-ChebNet achieves near state-of-the-art performance.

Bohan Tang, Zexi Liu, Keyue Jiang et al.

Hypergraphs are crucial for modelling higher-order interactions in real-world data. Hypergraph neural networks (HNNs) effectively utilise these structures by message passing to generate informative node features for various downstream tasks like node classification. However, the message passing module in existing HNNs typically requires a computationally intensive training process, which limits their practical use. To tackle this challenge, we propose an alternative approach by decoupling the usage of hypergraph structural information from the model learning stage. This leads to a novel training-free message passing module, named TF-MP-Module, which can be precomputed in the data preprocessing stage, thereby reducing the computational burden. We refer to the hypergraph neural network equipped with our TF-MP-Module as TF-HNN. We theoretically support the efficiency and effectiveness of TF-HNN by showing that: 1) It is more training-efficient compared to existing HNNs; 2) It utilises as much information as existing HNNs for node feature generation; and 3) It is robust against the oversmoothing issue while using long-range interactions. Experiments based on seven real-world hypergraph benchmarks in node classification and hyperlink prediction show that, compared to state-of-the-art HNNs, TF-HNN exhibits both competitive performance and superior training efficiency. Specifically, on the large-scale benchmark, Trivago, TF-HNN outperforms the node classification accuracy of the best baseline by 10% with just 1% of the training time of that baseline.

Keyue Jiang, Bohan Tang, Xiaowen Dong et al.

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous graphs, many real-world graphs exhibit heterogeneous patterns where nodes and edges have multiple types. This paper fills this gap by introducing the first approach for heterogeneous graph structure learning (HGSL). To this end, we first propose a novel statistical model for the data-generating process (DGP) of heterogeneous graph data, namely hidden Markov networks for heterogeneous graphs (H2MN). Then we formalize HGSL as a maximum a-posterior estimation problem parameterized by such DGP and derive an alternating optimization method to obtain a solution together with a theoretical justification of the optimization conditions. Finally, we conduct extensive experiments on both synthetic and real-world datasets to demonstrate that our proposed method excels in learning structure on heterogeneous graphs in terms of edge type identification and edge weight recovery.

Hugh Blayney, Álvaro Arroyo, Xiaowen Dong et al.

Graph Neural Networks (GNNs) leverage the graph structure to transmit information between nodes, typically through the message-passing mechanism. While these models have found a wide variety of applications, they are known to suffer from over-squashing, where information from a large receptive field of node representations is collapsed into a single fixed sized vector, resulting in an information bottleneck. In this paper, we re-examine the over-squashing phenomenon through the lens of model storage and retrieval capacity, which we define as the amount of information that can be stored in a node's representation for later use. We study some of the limitations of existing tasks used to measure over-squashing and introduce a new synthetic task to demonstrate that an information bottleneck can saturate this capacity. Furthermore, we adapt ideas from the sequence modeling literature on associative memories, fast weight programmers, and the xLSTM model to develop a novel GNN architecture with improved capacity. We demonstrate strong performance of this architecture both on our capacity synthetic task, as well as a range of real-world graph benchmarks.

Bohan Tang, Huidong Liang, Keyue Jiang et al.

Large language model multi-agent systems (LLM-MAS) offer a promising paradigm for harnessing collective intelligence to achieve more advanced forms of AI behaviour. While recent studies suggest that LLM-MAS can outperform LLM single-agent systems (LLM-SAS) on certain tasks, the lack of systematic experimental designs limits the strength and generality of these conclusions. We argue that a principled understanding of task complexity, such as the degree of sequential reasoning required and the breadth of capabilities involved, is essential for assessing the effectiveness of LLM-MAS in task solving. To this end, we propose a theoretical framework characterising tasks along two dimensions: depth, representing reasoning length, and width, representing capability diversity. We theoretically examine a representative class of LLM-MAS, namely the multi-agent debate system, and empirically evaluate its performance in both discriminative and generative tasks with varying depth and width. Theoretical and empirical results show that the benefit of LLM-MAS over LLM-SAS increases with both task depth and width, and the effect is more pronounced with respect to depth. This clarifies when LLM-MAS are beneficial and provides a principled foundation for designing future LLM-MAS methods and benchmarks.

Baskaran Sripathmanathan, Xiaowen Dong, Michael Bronstein

We investigate graph signal reconstruction and sample selection for classification tasks. We present general theoretical characterisations of classification error applicable to multiple commonly used reconstruction methods, and compare that to the classical reconstruction error. We demonstrate the applicability of our results by using them to derive new optimal sampling methods for linearized graph convolutional networks, and show improvement over other graph signal processing based methods.

Yuqi Nie, Yaxuan Kong, Xiaowen Dong et al.

Recent advances in large language models (LLMs) have unlocked novel opportunities for machine learning applications in the financial domain. These models have demonstrated remarkable capabilities in understanding context, processing vast amounts of data, and generating human-preferred contents. In this survey, we explore the application of LLMs on various financial tasks, focusing on their potential to transform traditional practices and drive innovation. We provide a discussion of the progress and advantages of LLMs in financial contexts, analyzing their advanced technologies as well as prospective capabilities in contextual understanding, transfer learning flexibility, complex emotion detection, etc. We then highlight this survey for categorizing the existing literature into key application areas, including linguistic tasks, sentiment analysis, financial time series, financial reasoning, agent-based modeling, and other applications. For each application area, we delve into specific methodologies, such as textual analysis, knowledge-based analysis, forecasting, data augmentation, planning, decision support, and simulations. Furthermore, a comprehensive collection of datasets, model assets, and useful codes associated with mainstream applications are presented as resources for the researchers and practitioners. Finally, we outline the challenges and opportunities for future research, particularly emphasizing a number of distinctive aspects in this field. We hope our work can help facilitate the adoption and further development of LLMs in the financial sector.

Marco Pacini, Xiaowen Dong, Bruno Lepri et al.

The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.

Isabelle Lorge, Li Zhang, Xiaowen Dong et al. · oxford

The rise of social media platforms has led to an increase in polarised online discussions, especially on political and socio-cultural topics such as elections and climate change. We propose a simple and novel unsupervised method to predict whether the authors of two posts agree or disagree, leveraging user stances about named entities obtained from their posts. We present STEntConv, a model which builds a graph of users and named entities weighted by stance and trains a Signed Graph Convolutional Network (SGCN) to detect disagreement between comment and reply posts. We run experiments and ablation studies and show that including this information improves disagreement detection performance on a dataset of Reddit posts for a range of controversial subreddit topics, without the need for platform-specific features or user history.

Jake Topping, Francesco Di Giovanni, Benjamin Paul Chamberlain et al.

Most graph neural networks (GNNs) use the message passing paradigm, in which node features are propagated on the input graph. Recent works pointed to the distortion of information flowing from distant nodes as a factor limiting the efficiency of message passing for tasks relying on long-distance interactions. This phenomenon, referred to as 'over-squashing', has been heuristically attributed to graph bottlenecks where the number of $k$-hop neighbors grows rapidly with $k$. We provide a precise description of the over-squashing phenomenon in GNNs and analyze how it arises from bottlenecks in the graph. For this purpose, we introduce a new edge-based combinatorial curvature and prove that negatively curved edges are responsible for the over-squashing issue. We also propose and experimentally test a curvature-based graph rewiring method to alleviate the over-squashing.

Emanuele Rossi, Henry Kenlay, Maria I. Gorinova et al.

While Graph Neural Networks (GNNs) have recently become the de facto standard for modeling relational data, they impose a strong assumption on the availability of the node or edge features of the graph. In many real-world applications, however, features are only partially available; for example, in social networks, age and gender are available only for a small subset of users. We present a general approach for handling missing features in graph machine learning applications that is based on minimization of the Dirichlet energy and leads to a diffusion-type differential equation on the graph. The discretization of this equation produces a simple, fast and scalable algorithm which we call Feature Propagation. We experimentally show that the proposed approach outperforms previous methods on seven common node-classification benchmarks and can withstand surprisingly high rates of missing features: on average we observe only around 4% relative accuracy drop when 99% of the features are missing. Moreover, it takes only 10 seconds to run on a graph with $\sim$2.5M nodes and $\sim$123M edges on a single GPU.

Xingchen Wan, Henry Kenlay, Binxin Ru et al.

Graph neural networks, a popular class of models effective in a wide range of graph-based learning tasks, have been shown to be vulnerable to adversarial attacks. While the majority of the literature focuses on such vulnerability in node-level classification tasks, little effort has been dedicated to analysing adversarial attacks on graph-level classification, an important problem with numerous real-life applications such as biochemistry and social network analysis. The few existing methods often require unrealistic setups, such as access to internal information of the victim models, or an impractically-large number of queries. We present a novel Bayesian optimisation-based attack method for graph classification models. Our method is black-box, query-efficient and parsimonious with respect to the perturbation applied. We empirically validate the effectiveness and flexibility of the proposed method on a wide range of graph classification tasks involving varying graph properties, constraints and modes of attack. Finally, we analyse common interpretable patterns behind the adversarial samples produced, which may shed further light on the adversarial robustness of graph classification models.

Felix L. Opolka, Yin-Cong Zhi, Pietro Liò et al.

Graph-based models require aggregating information in the graph from neighbourhoods of different sizes. In particular, when the data exhibit varying levels of smoothness on the graph, a multi-scale approach is required to capture the relevant information. In this work, we propose a Gaussian process model using spectral graph wavelets, which can naturally aggregate neighbourhood information at different scales. Through maximum likelihood optimisation of the model hyperparameters, the wavelets automatically adapt to the different frequencies in the data, and as a result our model goes beyond capturing low frequency information. We achieve scalability to larger graphs by using a spectrum-adaptive polynomial approximation of the filter function, which is designed to yield a low approximation error in dense areas of the graph spectrum. Synthetic and real-world experiments demonstrate the ability of our model to infer scales accurately and produce competitive performances against state-of-the-art models in graph-based learning tasks.

Xingyue Pu, Tianyue Cao, Xiaoyun Zhang et al.

Learning a graph topology to reveal the underlying relationship between data entities plays an important role in various machine learning and data analysis tasks. Under the assumption that structured data vary smoothly over a graph, the problem can be formulated as a regularised convex optimisation over a positive semidefinite cone and solved by iterative algorithms. Classic methods require an explicit convex function to reflect generic topological priors, e.g. the $\ell_1$ penalty for enforcing sparsity, which limits the flexibility and expressiveness in learning rich topological structures. We propose to learn a mapping from node data to the graph structure based on the idea of learning to optimise (L2O). Specifically, our model first unrolls an iterative primal-dual splitting algorithm into a neural network. The key structural proximal projection is replaced with a variational autoencoder that refines the estimated graph with enhanced topological properties. The model is trained in an end-to-end fashion with pairs of node data and graph samples. Experiments on both synthetic and real-world data demonstrate that our model is more efficient than classic iterative algorithms in learning a graph with specific topological properties.

Benjamin Paul Chamberlain, James Rowbottom, Davide Eynard et al.

We propose a novel class of graph neural networks based on the discretised Beltrami flow, a non-Euclidean diffusion PDE. In our model, node features are supplemented with positional encodings derived from the graph topology and jointly evolved by the Beltrami flow, producing simultaneously continuous feature learning and topology evolution. The resulting model generalises many popular graph neural networks and achieves state-of-the-art results on several benchmarks.

Lucas G. S. Jeub, Giovanni Colavizza, Xiaowen Dong et al.

We propose a decentralised "local2global" approach to graph representation learning, that one can a-priori use to scale any embedding technique. Our local2global approach proceeds by first dividing the input graph into overlapping subgraphs (or "patches") and training local representations for each patch independently. In a second step, we combine the local representations into a globally consistent representation by estimating the set of rigid motions that best align the local representations using information from the patch overlaps, via group synchronization. A key distinguishing feature of local2global relative to existing work is that patches are trained independently without the need for the often costly parameter synchronisation during distributed training. This allows local2global to scale to large-scale industrial applications, where the input graph may not even fit into memory and may be stored in a distributed manner. Preliminary results on medium-scale data sets (up to $\sim$7K nodes and $\sim$200K edges) are promising, with a graph reconstruction performance for local2global that is comparable to that of globally trained embeddings. A thorough evaluation of local2global on large scale data and applications to downstream tasks, such as node classification and link prediction, constitutes ongoing work.

Henry Kenlay, Dorina Thanou, Xiaowen Dong

Graph-structured data arise in a variety of real-world context ranging from sensor and transportation to biological and social networks. As a ubiquitous tool to process graph-structured data, spectral graph filters have been used to solve common tasks such as denoising and anomaly detection, as well as design deep learning architectures such as graph neural networks. Despite being an important tool, there is a lack of theoretical understanding of the stability properties of spectral graph filters, which are important for designing robust machine learning models. In this paper, we study filter stability and provide a novel and interpretable upper bound on the change of filter output, where the bound is expressed in terms of the endpoint degrees of the deleted and newly added edges, as well as the spatial proximity of those edges. This upper bound allows us to reason, in terms of structural properties of the graph, when a spectral graph filter will be stable. We further perform extensive experiments to verify intuition that can be gained from the bound.

Henry Kenlay, Dorina Thanou, Xiaowen Dong

Graph neural networks are experiencing a surge of popularity within the machine learning community due to their ability to adapt to non-Euclidean domains and instil inductive biases. Despite this, their stability, i.e., their robustness to small perturbations in the input, is not yet well understood. Although there exists some results showing the stability of graph neural networks, most take the form of an upper bound on the magnitude of change due to a perturbation in the graph topology. However, the change in the graph topology captured in existing bounds tend not to be expressed in terms of structural properties, limiting our understanding of the model robustness properties. In this work, we develop an interpretable upper bound elucidating that graph neural networks are stable to rewiring between high degree nodes. This bound and further research in bounds of similar type provide further understanding of the stability properties of graph neural networks.

Xingyue Pu, Siu Lun Chau, Xiaowen Dong et al.

The problem of graph learning concerns the construction of an explicit topological structure revealing the relationship between nodes representing data entities, which plays an increasingly important role in the success of many graph-based representations and algorithms in the field of machine learning and graph signal processing. In this paper, we propose a novel graph learning framework that incorporates the node-side and observation-side information, and in particular the covariates that help to explain the dependency structures in graph signals. To this end, we consider graph signals as functions in the reproducing kernel Hilbert space associated with a Kronecker product kernel, and integrate functional learning with smoothness-promoting graph learning to learn a graph representing the relationship between nodes. The functional learning increases the robustness of graph learning against missing and incomplete information in the graph signals. In addition, we develop a novel graph-based regularisation method which, when combined with the Kronecker product kernel, enables our model to capture both the dependency explained by the graph and the dependency due to graph signals observed under different but related circumstances, e.g. different points in time. The latter means the graph signals are free from the i.i.d. assumptions required by the classical graph learning models. Experiments on both synthetic and real-world data show that our methods outperform the state-of-the-art models in learning a meaningful graph topology from graph signals, in particular under heavy noise, missing values, and multiple dependency.

Xiaowen Dong, Dorina Thanou, Laura Toni et al.

The effective representation, processing, analysis, and visualization of large-scale structured data, especially those related to complex domains such as networks and graphs, are one of the key questions in modern machine learning. Graph signal processing (GSP), a vibrant branch of signal processing models and algorithms that aims at handling data supported on graphs, opens new paths of research to address this challenge. In this article, we review a few important contributions made by GSP concepts and tools, such as graph filters and transforms, to the development of novel machine learning algorithms. In particular, our discussion focuses on the following three aspects: exploiting data structure and relational priors, improving data and computational efficiency, and enhancing model interpretability. Furthermore, we provide new perspectives on future development of GSP techniques that may serve as a bridge between applied mathematics and signal processing on one side, and machine learning and network science on the other. Cross-fertilization across these different disciplines may help unlock the numerous challenges of complex data analysis in the modern age.

Binxin Ru, Xingchen Wan, Xiaowen Dong et al.

Current neural architecture search (NAS) strategies focus only on finding a single, good, architecture. They offer little insight into why a specific network is performing well, or how we should modify the architecture if we want further improvements. We propose a Bayesian optimisation (BO) approach for NAS that combines the Weisfeiler-Lehman graph kernel with a Gaussian process surrogate. Our method optimises the architecture in a highly data-efficient manner: it is capable of capturing the topological structures of the architectures and is scalable to large graphs, thus making the high-dimensional and graph-like search spaces amenable to BO. More importantly, our method affords interpretability by discovering useful network features and their corresponding impact on the network performance. Indeed, we demonstrate empirically that our surrogate model is capable of identifying useful motifs which can guide the generation of new architectures. We finally show that our method outperforms existing NAS approaches to achieve the state of the art on both closed- and open-domain search spaces.

Yin-Cong Zhi, Yin Cheng Ng, Xiaowen Dong

We propose a graph spectrum-based Gaussian process for prediction of signals defined on nodes of the graph. The model is designed to capture various graph signal structures through a highly adaptive kernel that incorporates a flexible polynomial function in the graph spectral domain. Unlike most existing approaches, we propose to learn such a spectral kernel, where the polynomial setup enables learning without the need for eigen-decomposition of the graph Laplacian. In addition, this kernel has the interpretability of graph filtering achieved by a bespoke maximum likelihood learning algorithm that enforces the positivity of the spectrum. We demonstrate the interpretability of the model in synthetic experiments from which we show the various ground truth spectral filters can be accurately recovered, and the adaptability translates to superior performances in the prediction of real-world graph data of various characteristics.

Diego Granziol, Robin Ru, Stefan Zohren et al.

Graph spectral techniques for measuring graph similarity, or for learning the cluster number, require kernel smoothing. The choice of kernel function and bandwidth are typically chosen in an ad-hoc manner and heavily affect the resulting output. We prove that kernel smoothing biases the moments of the spectral density. We propose an information theoretically optimal approach to learn a smooth graph spectral density, which fully respects the moment information. Our method's computational cost is linear in the number of edges, and hence can be applied to large networks, with millions of nodes. We apply our method to the problems to graph similarity and cluster number learning, where we outperform comparable iterative spectral approaches on synthetic and real graphs.

Kaige Yang, Xiaowen Dong, Laura Toni

We consider a stochastic linear bandit problem with multiple users, where the relationship between users is captured by an underlying graph and user preferences are represented as smooth signals on the graph. We introduce a novel bandit algorithm where the smoothness prior is imposed via the random-walk graph Laplacian, which leads to a single-user cumulative regret scaling as $\tilde{\mathcal{O}}(Ψd \sqrt{T})$ with time horizon $T$, feature dimensionality $d$, and the scalar parameter $Ψ\in (0,1)$ that depends on the graph connectivity. This is an improvement over $\tilde{\mathcal{O}}(d \sqrt{T})$ in \algo{LinUCB}~\Ccite{li2010contextual}, where user relationship is not taken into account. In terms of network regret (sum of cumulative regret over $n$ users), the proposed algorithm leads to a scaling as $\tilde{\mathcal{O}}(Ψd\sqrt{nT})$, which is a significant improvement over $\tilde{\mathcal{O}}(nd\sqrt{T})$ in the state-of-the-art algorithm \algo{Gob.Lin} \Ccite{cesa2013gang}. To improve scalability, we further propose a simplified algorithm with a linear computational complexity with respect to the number of users, while maintaining the same regret. Finally, we present a finite-time analysis on the proposed algorithms, and demonstrate their advantage in comparison with state-of-the-art graph-based bandit algorithms on both synthetic and real-world data.

Yan Leng, Xiaowen Dong, Junfeng Wu et al.

Individuals, or organizations, cooperate with or compete against one another in a wide range of practical situations. Such strategic interactions are often modeled as games played on networks, where an individual's payoff depends not only on her action but also on that of her neighbors. The current literature has largely focused on analyzing the characteristics of network games in the scenario where the structure of the network, which is represented by a graph, is known beforehand. It is often the case, however, that the actions of the players are readily observable while the underlying interaction network remains hidden. In this paper, we propose two novel frameworks for learning, from the observations on individual actions, network games with linear-quadratic payoffs, and in particular, the structure of the interaction network. Our frameworks are based on the Nash equilibrium of such games and involve solving a joint optimization problem for the graph structure and the individual marginal benefits. Both synthetic and real-world experiments demonstrate the effectiveness of the proposed frameworks, which have theoretical as well as practical implications for understanding strategic interactions in a network environment.

Xiaowen Dong, Dorina Thanou, Michael Rabbat et al.

The construction of a meaningful graph topology plays a crucial role in the effective representation, processing, analysis and visualization of structured data. When a natural choice of the graph is not readily available from the data sets, it is thus desirable to infer or learn a graph topology from the data. In this tutorial overview, we survey solutions to the problem of graph learning, including classical viewpoints from statistics and physics, and more recent approaches that adopt a graph signal processing (GSP) perspective. We further emphasize the conceptual similarities and differences between classical and GSP-based graph inference methods, and highlight the potential advantage of the latter in a number of theoretical and practical scenarios. We conclude with several open issues and challenges that are keys to the design of future signal processing and machine learning algorithms for learning graphs from data.

Diego Granziol, Binxin Ru, Stefan Zohren et al.

Graph spectra have been successfully used to classify network types, compute the similarity between graphs, and determine the number of communities in a network. For large graphs, where an eigen-decomposition is infeasible, iterative moment matched approximations to the spectra and kernel smoothing are typically used. We show that the underlying moment information is lost when using kernel smoothing. We further propose a spectral density approximation based on the method of Maximum Entropy, for which we develop a new algorithm. This method matches moments exactly and is everywhere positive. We demonstrate its effectiveness and superiority over existing approaches in learning graph spectra, via experiments on both synthetic networks, such as the Erdős-Rényi and Barabási-Albert random graphs, and real-world networks, such as the social networks for Orkut, YouTube, and Amazon from the SNAP dataset.

Dorina Thanou, Xiaowen Dong, Daniel Kressner et al.

Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or pre-determined sensing arrangements, like in road transportation networks for example. In general though, the data structure is not readily available and becomes pretty difficult to define. In particular, the global smoothness assumptions, that most of the existing works adopt, are often too general and unable to properly capture localized properties of data. In this paper, we go beyond this classical data model and rather propose to represent information as a sparse combination of localized functions that live on a data structure represented by a graph. Based on this model, we focus on the problem of inferring the connectivity that best explains the data samples at different vertices of a graph that is a priori unknown. We concentrate on the case where the observed data is actually the sum of heat diffusion processes, which is a quite common model for data on networks or other irregular structures. We cast a new graph learning problem and solve it with an efficient nonconvex optimization algorithm. Experiments on both synthetic and real world data finally illustrate the benefits of the proposed graph learning framework and confirm that the data structure can be efficiently learned from data observations only. We believe that our algorithm will help solving key questions in diverse application domains such as social and biological network analysis where it is crucial to unveil proper geometry for data understanding and inference.

Xiaowen Dong, Dorina Thanou, Pascal Frossard et al.

The construction of a meaningful graph plays a crucial role in the success of many graph-based representations and algorithms for handling structured data, especially in the emerging field of graph signal processing. However, a meaningful graph is not always readily available from the data, nor easy to define depending on the application domain. In particular, it is often desirable in graph signal processing applications that a graph is chosen such that the data admit certain regularity or smoothness on the graph. In this paper, we address the problem of learning graph Laplacians, which is equivalent to learning graph topologies, such that the input data form graph signals with smooth variations on the resulting topology. To this end, we adopt a factor analysis model for the graph signals and impose a Gaussian probabilistic prior on the latent variables that control these signals. We show that the Gaussian prior leads to an efficient representation that favors the smoothness property of the graph signals. We then propose an algorithm for learning graphs that enforces such property and is based on minimizing the variations of the signals on the learned graph. Experiments on both synthetic and real world data demonstrate that the proposed graph learning framework can efficiently infer meaningful graph topologies from signal observations under the smoothness prior.

Xiaowen Dong, Dimitrios Mavroeidis, Francesco Calabrese et al.

Event detection has been one of the most important research topics in social media analysis. Most of the traditional approaches detect events based on fixed temporal and spatial resolutions, while in reality events of different scales usually occur simultaneously, namely, they span different intervals in time and space. In this paper, we propose a novel approach towards multiscale event detection using social media data, which takes into account different temporal and spatial scales of events in the data. Specifically, we explore the properties of the wavelet transform, which is a well-developed multiscale transform in signal processing, to enable automatic handling of the interaction between temporal and spatial scales. We then propose a novel algorithm to compute a data similarity graph at appropriate scales and detect events of different scales simultaneously by a single graph-based clustering process. Furthermore, we present spatiotemporal statistical analysis of the noisy information present in the data stream, which allows us to define a novel term-filtering procedure for the proposed event detection algorithm and helps us study its behavior using simulated noisy data. Experimental results on both synthetically generated data and real world data collected from Twitter demonstrate the meaningfulness and effectiveness of the proposed approach. Our framework further extends to numerous application domains that involve multiscale and multiresolution data analysis.

Xiaowen Dong, Pascal Frossard, Pierre Vandergheynst et al.

Relationships between entities in datasets are often of multiple nature, like geographical distance, social relationships, or common interests among people in a social network, for example. This information can naturally be modeled by a set of weighted and undirected graphs that form a global multilayer graph, where the common vertex set represents the entities and the edges on different layers capture the similarities of the entities in term of the different modalities. In this paper, we address the problem of analyzing multi-layer graphs and propose methods for clustering the vertices by efficiently merging the information provided by the multiple modalities. To this end, we propose to combine the characteristics of individual graph layers using tools from subspace analysis on a Grassmann manifold. The resulting combination can then be viewed as a low dimensional representation of the original data which preserves the most important information from diverse relationships between entities. We use this information in new clustering methods and test our algorithm on several synthetic and real world datasets where we demonstrate superior or competitive performances compared to baseline and state-of-the-art techniques. Our generic framework further extends to numerous analysis and learning problems that involve different types of information on graphs.