Cesare Alippi

LG
h-index53
55papers
2,948citations
Novelty48%
AI Score58

55 Papers

37.8LGJul 7, 2023Code
A Survey on Graph Neural Networks for Time Series: Forecasting, Classification, Imputation, and Anomaly Detection

Ming Jin, Huan Yee Koh, Qingsong Wen et al.

Time series are the primary data type used to record dynamic system measurements and generated in great volume by both physical sensors and online processes (virtual sensors). Time series analytics is therefore crucial to unlocking the wealth of information implicit in available data. With the recent advancements in graph neural networks (GNNs), there has been a surge in GNN-based approaches for time series analysis. These approaches can explicitly model inter-temporal and inter-variable relationships, which traditional and other deep neural network-based methods struggle to do. In this survey, we provide a comprehensive review of graph neural networks for time series analysis (GNN4TS), encompassing four fundamental dimensions: forecasting, classification, anomaly detection, and imputation. Our aim is to guide designers and practitioners to understand, build applications, and advance research of GNN4TS. At first, we provide a comprehensive task-oriented taxonomy of GNN4TS. Then, we present and discuss representative research works and introduce mainstream applications of GNN4TS. A comprehensive discussion of potential future research directions completes the survey. This survey, for the first time, brings together a vast array of knowledge on GNN-based time series research, highlighting foundations, practical applications, and opportunities of graph neural networks for time series analysis.

4.1LGDec 3, 2025Code
BEP: A Binary Error Propagation Algorithm for Binary Neural Networks Training

Luca Colombo, Fabrizio Pittorino, Daniele Zambon et al.

Binary Neural Networks (BNNs), which constrain both weights and activations to binary values, offer substantial reductions in computational complexity, memory footprint, and energy consumption. These advantages make them particularly well suited for deployment on resource-constrained devices. However, training BNNs via gradient-based optimization remains challenging due to the discrete nature of their variables. The dominant approach, quantization-aware training, circumvents this issue by employing surrogate gradients. Yet, this method requires maintaining latent full-precision parameters and performing the backward pass with floating-point arithmetic, thereby forfeiting the efficiency of binary operations during training. While alternative approaches based on local learning rules exist, they are unsuitable for global credit assignment and for back-propagating errors in multi-layer architectures. This paper introduces Binary Error Propagation (BEP), the first learning algorithm to establish a principled, discrete analog of the backpropagation chain rule. This mechanism enables error signals, represented as binary vectors, to be propagated backward through multiple layers of a neural network. BEP operates entirely on binary variables, with all forward and backward computations performed using only bitwise operations. Crucially, this makes BEP the first solution to enable end-to-end binary training for recurrent neural network architectures. We validate the effectiveness of BEP on both multi-layer perceptrons and recurrent neural networks, demonstrating gains of up to +6.89% and +10.57% in test accuracy, respectively. The proposed algorithm is released as an open-source repository.

8.4CVNov 13, 2025
Compensating Distribution Drifts in Class-incremental Learning of Pre-trained Vision Transformers

Xuan Rao, Simian Xu, Zheng Li et al.

Recent advances have shown that sequential fine-tuning (SeqFT) of pre-trained vision transformers (ViTs), followed by classifier refinement using approximate distributions of class features, can be an effective strategy for class-incremental learning (CIL). However, this approach is susceptible to distribution drift, caused by the sequential optimization of shared backbone parameters. This results in a mismatch between the distributions of the previously learned classes and that of the updater model, ultimately degrading the effectiveness of classifier performance over time. To address this issue, we introduce a latent space transition operator and propose Sequential Learning with Drift Compensation (SLDC). SLDC aims to align feature distributions across tasks to mitigate the impact of drift. First, we present a linear variant of SLDC, which learns a linear operator by solving a regularized least-squares problem that maps features before and after fine-tuning. Next, we extend this with a weakly nonlinear SLDC variant, which assumes that the ideal transition operator lies between purely linear and fully nonlinear transformations. This is implemented using learnable, weakly nonlinear mappings that balance flexibility and generalization. To further reduce representation drift, we apply knowledge distillation (KD) in both algorithmic variants. Extensive experiments on standard CIL benchmarks demonstrate that SLDC significantly improves the performance of SeqFT. Notably, by combining KD to address representation drift with SLDC to compensate distribution drift, SeqFT achieves performance comparable to joint training across all evaluated datasets. Code: https://github.com/raoxuan98-hash/sldc.git.

27.4LGMay 26, 2022Code
Learning to Reconstruct Missing Data from Spatiotemporal Graphs with Sparse Observations

Ivan Marisca, Andrea Cini, Cesare Alippi

Modeling multivariate time series as temporal signals over a (possibly dynamic) graph is an effective representational framework that allows for developing models for time series analysis. In fact, discrete sequences of graphs can be processed by autoregressive graph neural networks to recursively learn representations at each discrete point in time and space. Spatiotemporal graphs are often highly sparse, with time series characterized by multiple, concurrent, and long sequences of missing data, e.g., due to the unreliable underlying sensor network. In this context, autoregressive models can be brittle and exhibit unstable learning dynamics. The objective of this paper is, then, to tackle the problem of learning effective models to reconstruct, i.e., impute, missing data points by conditioning the reconstruction only on the available observations. In particular, we propose a novel class of attention-based architectures that, given a set of highly sparse discrete observations, learn a representation for points in time and space by exploiting a spatiotemporal propagation architecture aligned with the imputation task. Representations are trained end-to-end to reconstruct observations w.r.t. the corresponding sensor and its neighboring nodes. Compared to the state of the art, our model handles sparse data without propagating prediction errors or requiring a bidirectional model to encode forward and backward time dependencies. Empirical results on representative benchmarks show the effectiveness of the proposed method.

25.3LGSep 14, 2022Code
Scalable Spatiotemporal Graph Neural Networks

Andrea Cini, Ivan Marisca, Filippo Maria Bianchi et al.

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in most spatiotemporal GNNs, the computational complexity scales up to a quadratic factor with the length of the sequence times the number of links in the graph, hence hindering the application of these models to large graphs and long temporal sequences. While methods to improve scalability have been proposed in the context of static graphs, few research efforts have been devoted to the spatiotemporal case. To fill this gap, we propose a scalable architecture that exploits an efficient encoding of both temporal and spatial dynamics. In particular, we use a randomized recurrent neural network to embed the history of the input time series into high-dimensional state representations encompassing multi-scale temporal dynamics. Such representations are then propagated along the spatial dimension using different powers of the graph adjacency matrix to generate node embeddings characterized by a rich pool of spatiotemporal features. The resulting node embeddings can be efficiently pre-computed in an unsupervised manner, before being fed to a feed-forward decoder that learns to map the multi-scale spatiotemporal representations to predictions. The training procedure can then be parallelized node-wise by sampling the node embeddings without breaking any dependency, thus enabling scalability to large networks. Empirical results on relevant datasets show that our approach achieves results competitive with the state of the art, while dramatically reducing the computational burden.

23.5LGFeb 8, 2023Code
Taming Local Effects in Graph-based Spatiotemporal Forecasting

Andrea Cini, Ivan Marisca, Daniele Zambon et al.

Spatiotemporal graph neural networks have shown to be effective in time series forecasting applications, achieving better performance than standard univariate predictors in several settings. These architectures take advantage of a graph structure and relational inductive biases to learn a single (global) inductive model to predict any number of the input time series, each associated with a graph node. Despite the gain achieved in computational and data efficiency w.r.t. fitting a set of local models, relying on a single global model can be a limitation whenever some of the time series are generated by a different spatiotemporal stochastic process. The main objective of this paper is to understand the interplay between globality and locality in graph-based spatiotemporal forecasting, while contextually proposing a methodological framework to rationalize the practice of including trainable node embeddings in such architectures. We ascribe to trainable node embeddings the role of amortizing the learning of specialized components. Moreover, embeddings allow for 1) effectively combining the advantages of shared message-passing layers with node-specific parameters and 2) efficiently transferring the learned model to new node sets. Supported by strong empirical evidence, we provide insights and guidelines for specializing graph-based models to the dynamics of each time series and show how this aspect plays a crucial role in obtaining accurate predictions.

21.1LGOct 24, 2023
Graph Deep Learning for Time Series Forecasting

Andrea Cini, Ivan Marisca, Daniele Zambon et al.

Graph deep learning methods have become popular tools to process collections of correlated time series. Unlike traditional multivariate forecasting methods, graph-based predictors leverage pairwise relationships by conditioning forecasts on graphs spanning the time series collection. The conditioning takes the form of architectural inductive biases on the forecasting architecture, resulting in a family of models called spatiotemporal graph neural networks. These biases allow for training global forecasting models on large collections of time series while localizing predictions w.r.t. each element in the set (nodes) by accounting for correlations among them (edges). Recent advances in graph neural networks and deep learning for time series forecasting make the adoption of such processing framework appealing and timely. However, most studies focus on refining existing architectures by exploiting modern deep-learning practices. Conversely, foundational and methodological aspects have not been subject to systematic investigation. To fill this void, this tutorial paper aims to introduce a comprehensive methodological framework formalizing the forecasting problem and providing design principles for graph-based predictors, as well as methods to assess their performance. In addition, together with an overview of the field, we provide design guidelines and best practices, as well as an in-depth discussion of open challenges and future directions.

18.5LGMay 26, 2022Code
Sparse Graph Learning from Spatiotemporal Time Series

Andrea Cini, Daniele Zambon, Cesare Alippi

Outstanding achievements of graph neural networks for spatiotemporal time series analysis show that relational constraints introduce an effective inductive bias into neural forecasting architectures. Often, however, the relational information characterizing the underlying data-generating process is unavailable and the practitioner is left with the problem of inferring from data which relational graph to use in the subsequent processing stages. We propose novel, principled - yet practical - probabilistic score-based methods that learn the relational dependencies as distributions over graphs while maximizing end-to-end the performance at task. The proposed graph learning framework is based on consolidated variance reduction techniques for Monte Carlo score-based gradient estimation, is theoretically grounded, and, as we show, effective in practice. In this paper, we focus on the time series forecasting problem and show that, by tailoring the gradient estimators to the graph learning problem, we are able to achieve state-of-the-art performance while controlling the sparsity of the learned graph and the computational scalability. We empirically assess the effectiveness of the proposed method on synthetic and real-world benchmarks, showing that the proposed solution can be used as a stand-alone graph identification procedure as well as a graph learning component of an end-to-end forecasting architecture.

8.7LGOct 10, 2022
A Hybrid Active-Passive Approach to Imbalanced Nonstationary Data Stream Classification

Kleanthis Malialis, Manuel Roveri, Cesare Alippi et al.

In real-world applications, the process generating the data might suffer from nonstationary effects (e.g., due to seasonality, faults affecting sensors or actuators, and changes in the users' behaviour). These changes, often called concept drift, might induce severe (potentially catastrophic) impacts on trained learning models that become obsolete over time, and inadequate to solve the task at hand. Learning in presence of concept drift aims at designing machine and deep learning models that are able to track and adapt to concept drift. Typically, techniques to handle concept drift are either active or passive, and traditionally, these have been considered to be mutually exclusive. Active techniques use an explicit drift detection mechanism, and re-train the learning algorithm when concept drift is detected. Passive techniques use an implicit method to deal with drift, and continually update the model using incremental learning. Differently from what present in the literature, we propose a hybrid alternative which merges the two approaches, hence, leveraging on their advantages. The proposed method called Hybrid-Adaptive REBAlancing (HAREBA) significantly outperforms strong baselines and state-of-the-art methods in terms of learning quality and speed; we experiment how it is effective under severe class imbalance levels too.

9.8LGMar 21, 2023
Graph Kalman Filters

Cesare Alippi, Daniele Zambon

The well-known Kalman filters model dynamical systems by relying on state-space representations with the next state updated, and its uncertainty controlled, by fresh information associated with newly observed system outputs. This paper generalizes, for the first time in the literature, Kalman and extended Kalman filters to discrete-time settings where inputs, states, and outputs are represented as attributed graphs whose topology and attributes can change with time. The setup allows us to adapt the framework to cases where the output is a vector or a scalar too (node/graph level tasks). Within the proposed theoretical framework, the unknown state-transition and the readout functions are learned end-to-end along with the downstream prediction task.

9.9MLApr 23, 2022
AZ-whiteness test: a test for uncorrelated noise on spatio-temporal graphs

Daniele Zambon, Cesare Alippi

We present the first whiteness test for graphs, i.e., a whiteness test for multivariate time series associated with the nodes of a dynamic graph. The statistical test aims at finding serial dependencies among close-in-time observations, as well as spatial dependencies among neighboring observations given the underlying graph. The proposed test is a spatio-temporal extension of traditional tests from the system identification literature and finds applications in similar, yet more general, application scenarios involving graph signals. The AZ-test is versatile, allowing the underlying graph to be dynamic, changing in topology and set of nodes, and weighted, thus accounting for connections of different strength, as is the case in many application scenarios like transportation networks and sensor grids. The asymptotic distribution -- as the number of graph edges or temporal observations increases -- is known, and does not assume identically distributed data. We validate the practical value of the test on both synthetic and real-world problems, and show how the test can be employed to assess the quality of spatio-temporal forecasting models by analyzing the prediction residuals appended to the graphs stream.

5.3LGApr 11, 2023Code
Feudal Graph Reinforcement Learning

Tommaso Marzi, Arshjot Khehra, Andrea Cini et al.

Graph-based representations and message-passing modular policies constitute prominent approaches to tackling composable control problems in reinforcement learning (RL). However, as shown by recent graph deep learning literature, such local message-passing operators can create information bottlenecks and hinder global coordination. The issue becomes more serious in tasks requiring high-level planning. In this work, we propose a novel methodology, named Feudal Graph Reinforcement Learning (FGRL), that addresses such challenges by relying on hierarchical RL and a pyramidal message-passing architecture. In particular, FGRL defines a hierarchy of policies where high-level commands are propagated from the top of the hierarchy down through a layered graph structure. The bottom layers mimic the morphology of the physical system, while the upper layers correspond to higher-order sub-modules. The resulting agents are then characterized by a committee of policies where actions at a certain level set goals for the level below, thus implementing a hierarchical decision-making structure that can naturally implement task decomposition. We evaluate the proposed framework on a graph clustering problem and MuJoCo locomotion tasks; simulation results show that FGRL compares favorably against relevant baselines. Furthermore, an in-depth analysis of the command propagation mechanism provides evidence that the introduced message-passing scheme favors learning hierarchical decision-making policies.

7.4MLFeb 3, 2023
Assessment of Spatio-Temporal Predictors in the Presence of Missing and Heterogeneous Data

Daniele Zambon, Cesare Alippi

Deep learning methods achieve remarkable predictive performance in modeling complex, large-scale data. However, assessing the quality of derived models has become increasingly challenging, as more classical statistical assumptions may no longer apply. These difficulties are particularly pronounced for spatio-temporal data, which exhibit dependencies across both space and time and are often characterized by nonlinear dynamics, time variance, and missing observations, hence calling for new accuracy assessment methodologies. This paper introduces a residual correlation analysis framework for assessing the optimality of spatio-temporal relational-enabled neural predictive models, notably in settings with incomplete and heterogeneous data. By leveraging the principle that residual correlation indicates information not captured by the model, enabling the identification and localization of regions in space and time where predictive performance can be improved. A strength of the proposed approach is that it operates under minimal assumptions, allowing also for robust evaluation of deep learning models applied to multivariate time series, even in the presence of missing and heterogeneous data. In detail, the methodology constructs tailored spatio-temporal graphs to encode sparse spatial and temporal dependencies and employs asymptotically distribution-free summary statistics to detect time intervals and spatial regions where the model underperforms. The effectiveness of what proposed is demonstrated through experiments on both synthetic and real-world datasets using state-of-the-art predictive models.

13.0LGNov 2, 2025
Equilibrium Policy Generalization: A Reinforcement Learning Framework for Cross-Graph Zero-Shot Generalization in Pursuit-Evasion Games

Runyu Lu, Peng Zhang, Ruochuan Shi et al.

Equilibrium learning in adversarial games is an important topic widely examined in the fields of game theory and reinforcement learning (RL). Pursuit-evasion game (PEG), as an important class of real-world games from the fields of robotics and security, requires exponential time to be accurately solved. When the underlying graph structure varies, even the state-of-the-art RL methods require recomputation or at least fine-tuning, which can be time-consuming and impair real-time applicability. This paper proposes an Equilibrium Policy Generalization (EPG) framework to effectively learn a generalized policy with robust cross-graph zero-shot performance. In the context of PEGs, our framework is generally applicable to both pursuer and evader sides in both no-exit and multi-exit scenarios. These two generalizability properties, to our knowledge, are the first to appear in this domain. The core idea of the EPG framework is to train an RL policy across different graph structures against the equilibrium policy for each single graph. To construct an equilibrium oracle for single-graph policies, we present a dynamic programming (DP) algorithm that provably generates pure-strategy Nash equilibrium with near-optimal time complexity. To guarantee scalability with respect to pursuer number, we further extend DP and RL by designing a grouping mechanism and a sequence model for joint policy decomposition, respectively. Experimental results show that, using equilibrium guidance and a distance feature proposed for cross-graph PEG training, the EPG framework guarantees desirable zero-shot performance in various unseen real-world graphs. Besides, when trained under an equilibrium heuristic proposed for the graphs with exits, our generalized pursuer policy can even match the performance of the fine-tuned policies from the state-of-the-art PEG methods.

4.1LGDec 27, 2025
What Matters in Deep Learning for Time Series Forecasting?

Valentina Moretti, Andrea Cini, Ivan Marisca et al.

Deep learning models have grown increasingly popular in time series applications. However, the large quantity of newly proposed architectures, together with often contradictory empirical results, makes it difficult to assess which components contribute significantly to final performance. We aim to make sense of the current design space of deep learning architectures for time series forecasting by discussing the design dimensions and trade-offs that can explain, often unexpected, observed results. This paper discusses the necessity of grounding model design on principles for forecasting groups of time series and how such principles can be applied to current models. In particular, we assess how concepts such as locality and globality apply to recent forecasting architectures. We show that accounting for these aspects can be more relevant for achieving accurate results than adopting specific sequence modeling layers and that simple, well-designed forecasting architectures can often match the state of the art. We discuss how overlooked implementation details in existing architectures (1) fundamentally change the class of the resulting forecasting method and (2) drastically affect the observed empirical results. Our results call for rethinking current faulty benchmarking practices and the need to focus on the foundational aspects of the forecasting problem when designing architectures. As a step in this direction, we propose an auxiliary forecasting model card, whose fields serve to characterize existing and new forecasting architectures based on key design choices.

1.5CVMar 26, 2023Code
Object-Centric Relational Representations for Image Generation

Luca Butera, Andrea Cini, Alberto Ferrante et al.

Conditioning image generation on specific features of the desired output is a key ingredient of modern generative models. However, existing approaches lack a general and unified way of representing structural and semantic conditioning at diverse granularity levels. This paper explores a novel method to condition image generation, based on object-centric relational representations. In particular, we propose a methodology to condition the generation of objects in an image on the attributed graph representing their structure and the associated semantic information. We show that such architectural biases entail properties that facilitate the manipulation and conditioning of the generative process and allow for regularizing the training procedure. The proposed conditioning framework is implemented by means of a neural network that learns to generate a 2D, multi-channel, layout mask of the objects, which can be used as a soft inductive bias in the downstream generative task. To do so, we leverage both 2D and graph convolutional operators. We also propose a novel benchmark for image generation consisting of a synthetic dataset of images paired with their relational representation. Empirical results show that the proposed approach compares favorably against relevant baselines.

24.1LGJun 22, 2020Code
Graph Neural Networks in TensorFlow and Keras with Spektral

Daniele Grattarola, Cesare Alippi

In this paper we present Spektral, an open-source Python library for building graph neural networks with TensorFlow and the Keras application programming interface. Spektral implements a large set of methods for deep learning on graphs, including message-passing and pooling operators, as well as utilities for processing graphs and loading popular benchmark datasets. The purpose of this library is to provide the essential building blocks for creating graph neural networks, focusing on the guiding principles of user-friendliness and quick prototyping on which Keras is based. Spektral is, therefore, suitable for absolute beginners and expert deep learning practitioners alike. In this work, we present an overview of Spektral's features and report the performance of the methods implemented by the library in scenarios of node classification, graph classification, and graph regression.

19.3LGFeb 16, 2024Code
Graph-based Forecasting with Missing Data through Spatiotemporal Downsampling

Ivan Marisca, Cesare Alippi, Filippo Maria Bianchi

Given a set of synchronous time series, each associated with a sensor-point in space and characterized by inter-series relationships, the problem of spatiotemporal forecasting consists of predicting future observations for each point. Spatiotemporal graph neural networks achieve striking results by representing the relationships across time series as a graph. Nonetheless, most existing methods rely on the often unrealistic assumption that inputs are always available and fail to capture hidden spatiotemporal dynamics when part of the data is missing. In this work, we tackle this problem through hierarchical spatiotemporal downsampling. The input time series are progressively coarsened over time and space, obtaining a pool of representations that capture heterogeneous temporal and spatial dynamics. Conditioned on observations and missing data patterns, such representations are combined by an interpretable attention mechanism to generate the forecasts. Our approach outperforms state-of-the-art methods on synthetic and real-world benchmarks under different missing data distributions, particularly in the presence of contiguous blocks of missing values.

16.4LGApr 30, 2024Code
Temporal Graph ODEs for Irregularly-Sampled Time Series

Alessio Gravina, Daniele Zambon, Davide Bacciu et al.

Modern graph representation learning works mostly under the assumption of dealing with regularly sampled temporal graph snapshots, which is far from realistic, e.g., social networks and physical systems are characterized by continuous dynamics and sporadic observations. To address this limitation, we introduce the Temporal Graph Ordinary Differential Equation (TG-ODE) framework, which learns both the temporal and spatial dynamics from graph streams where the intervals between observations are not regularly spaced. We empirically validate the proposed approach on several graph benchmarks, showing that TG-ODE can achieve state-of-the-art performance in irregular graph stream tasks.

11.5LGFeb 19, 2024Code
Graph-based Virtual Sensing from Sparse and Partial Multivariate Observations

Giovanni De Felice, Andrea Cini, Daniele Zambon et al.

Virtual sensing techniques allow for inferring signals at new unmonitored locations by exploiting spatio-temporal measurements coming from physical sensors at different locations. However, as the sensor coverage becomes sparse due to costs or other constraints, physical proximity cannot be used to support interpolation. In this paper, we overcome this challenge by leveraging dependencies between the target variable and a set of correlated variables (covariates) that can frequently be associated with each location of interest. From this viewpoint, covariates provide partial observability, and the problem consists of inferring values for unobserved channels by exploiting observations at other locations to learn how such variables can correlate. We introduce a novel graph-based methodology to exploit such relationships and design a graph deep learning architecture, named GgNet, implementing the framework. The proposed approach relies on propagating information over a nested graph structure that is used to learn dependencies between variables as well as locations. GgNet is extensively evaluated under different virtual sensing scenarios, demonstrating higher reconstruction accuracy compared to the state-of-the-art.

7.1LGMay 15, 2025
PIF: Anomaly detection via preference embedding

Filippo Leveni, Luca Magri, Giacomo Boracchi et al.

We address the problem of detecting anomalies with respect to structured patterns. To this end, we conceive a novel anomaly detection method called PIF, that combines the advantages of adaptive isolation methods with the flexibility of preference embedding. Specifically, we propose to embed the data in a high dimensional space where an efficient tree-based method, PI-Forest, is employed to compute an anomaly score. Experiments on synthetic and real datasets demonstrate that PIF favorably compares with state-of-the-art anomaly detection techniques, and confirm that PI-Forest is better at measuring arbitrary distances and isolate points in the preference space.

16.9LGFeb 13, 2025
Relational Conformal Prediction for Correlated Time Series

Andrea Cini, Alexander Jenkins, Danilo Mandic et al.

We address the problem of uncertainty quantification in time series forecasting by exploiting observations at correlated sequences. Relational deep learning methods leveraging graph representations are among the most effective tools for obtaining point estimates from spatiotemporal data and correlated time series. However, the problem of exploiting relational structures to estimate the uncertainty of such predictions has been largely overlooked in the same context. To this end, we propose a novel distribution-free approach based on the conformal prediction framework and quantile regression. Despite the recent applications of conformal prediction to sequential data, existing methods operate independently on each target time series and do not account for relationships among them when constructing the prediction interval. We fill this void by introducing a novel conformal prediction method based on graph deep learning operators. Our approach, named Conformal Relational Prediction (CoRel), does not require the relational structure (graph) to be known a priori and can be applied on top of any pre-trained predictor. Additionally, CoRel includes an adaptive component to handle non-exchangeable data and changes in the input time series. Our approach provides accurate coverage and achieves state-of-the-art uncertainty quantification in relevant benchmarks.

4.1LGOct 8, 2025
The Unreasonable Effectiveness of Randomized Representations in Online Continual Graph Learning

Giovanni Donghi, Daniele Zambon, Luca Pasa et al.

Catastrophic forgetting is one of the main obstacles for Online Continual Graph Learning (OCGL), where nodes arrive one by one, distribution drifts may occur at any time and offline training on task-specific subgraphs is not feasible. In this work, we explore a surprisingly simple yet highly effective approach for OCGL: we use a fixed, randomly initialized encoder to generate robust and expressive node embeddings by aggregating neighborhood information, training online only a lightweight classifier. By freezing the encoder, we eliminate drifts of the representation parameters, a key source of forgetting, obtaining embeddings that are both expressive and stable. When evaluated across several OCGL benchmarks, despite its simplicity and lack of memory buffer, this approach yields consistent gains over state-of-the-art methods, with surprising improvements of up to 30% and performance often approaching that of the joint offline-training upper bound. These results suggest that in OCGL, catastrophic forgetting can be minimized without complex replay or regularization by embracing architectural simplicity and stability.

4.1LGSep 29, 2025
Beyond Softmax: A Natural Parameterization for Categorical Random Variables

Alessandro Manenti, Cesare Alippi

Latent categorical variables are frequently found in deep learning architectures. They can model actions in discrete reinforcement-learning environments, represent categories in latent-variable models, or express relations in graph neural networks. Despite their widespread use, their discrete nature poses significant challenges to gradient-descent learning algorithms. While a substantial body of work has offered improved gradient estimation techniques, we take a complementary approach. Specifically, we: 1) revisit the ubiquitous $\textit{softmax}$ function and demonstrate its limitations from an information-geometric perspective; 2) replace the $\textit{softmax}$ with the $\textit{catnat}$ function, a function composed of a sequence of hierarchical binary splits; we prove that this choice offers significant advantages to gradient descent due to the resulting diagonal Fisher Information Matrix. A rich set of experiments - including graph structure learning, variational autoencoders, and reinforcement learning - empirically show that the proposed function improves the learning efficiency and yields models characterized by consistently higher test performance. $\textit{Catnat}$ is simple to implement and seamlessly integrates into existing codebases. Moreover, it remains compatible with standard training stabilization techniques and, as such, offers a better alternative to the $\textit{softmax}$ function.

4.1LGJul 31, 2025
Hierarchical Message-Passing Policies for Multi-Agent Reinforcement Learning

Tommaso Marzi, Cesare Alippi, Andrea Cini

Decentralized Multi-Agent Reinforcement Learning (MARL) methods allow for learning scalable multi-agent policies, but suffer from partial observability and induced non-stationarity. These challenges can be addressed by introducing mechanisms that facilitate coordination and high-level planning. Specifically, coordination and temporal abstraction can be achieved through communication (e.g., message passing) and Hierarchical Reinforcement Learning (HRL) approaches to decision-making. However, optimization issues limit the applicability of hierarchical policies to multi-agent systems. As such, the combination of these approaches has not been fully explored. To fill this void, we propose a novel and effective methodology for learning multi-agent hierarchies of message-passing policies. We adopt the feudal HRL framework and rely on a hierarchical graph structure for planning and coordination among agents. Agents at lower levels in the hierarchy receive goals from the upper levels and exchange messages with neighboring agents at the same level. To learn hierarchical multi-agent policies, we design a novel reward-assignment method based on training the lower-level policies to maximize the advantage function associated with the upper levels. Results on relevant benchmarks show that our method performs favorably compared to the state of the art.

13.0LGJun 18, 2025
Over-squashing in Spatiotemporal Graph Neural Networks

Ivan Marisca, Jacob Bamberger, Cesare Alippi et al.

Graph Neural Networks (GNNs) have achieved remarkable success across various domains. However, recent theoretical advances have identified fundamental limitations in their information propagation capabilities, such as over-squashing, where distant nodes fail to effectively exchange information. While extensively studied in static contexts, this issue remains unexplored in Spatiotemporal GNNs (STGNNs), which process sequences associated with graph nodes. Nonetheless, the temporal dimension amplifies this challenge by increasing the information that must be propagated. In this work, we formalize the spatiotemporal over-squashing problem and demonstrate its distinct characteristics compared to the static case. Our analysis reveals that, counterintuitively, convolutional STGNNs favor information propagation from points temporally distant rather than close in time. Moreover, we prove that architectures that follow either time-and-space or time-then-space processing paradigms are equally affected by this phenomenon, providing theoretical justification for computationally efficient implementations. We validate our findings on synthetic and real-world datasets, providing deeper insights into their operational dynamics and principled guidance for more effective designs.

4.1LGJun 16, 2025Code
PeakWeather: MeteoSwiss Weather Station Measurements for Spatiotemporal Deep Learning

Daniele Zambon, Michele Cattaneo, Ivan Marisca et al.

Accurate weather forecasts are essential for supporting a wide range of activities and decision-making processes, as well as mitigating the impacts of adverse weather events. While traditional numerical weather prediction (NWP) remains the cornerstone of operational forecasting, machine learning is emerging as a powerful alternative for fast, flexible, and scalable predictions. We introduce PeakWeather, a high-quality dataset of surface weather observations collected every 10 minutes over more than 8 years from the ground stations of the Federal Office of Meteorology and Climatology MeteoSwiss's measurement network. The dataset includes a diverse set of meteorological variables from 302 station locations distributed across Switzerland's complex topography and is complemented with topographical indices derived from digital height models for context. Ensemble forecasts from the currently operational high-resolution NWP model are provided as a baseline forecast against which to evaluate new approaches. The dataset's richness supports a broad spectrum of spatiotemporal tasks, including time series forecasting at various scales, graph structure learning, imputation, and virtual sensing. As such, PeakWeather serves as a real-world benchmark to advance both foundational machine learning research, meteorology, and sensor-based applications.

3.6CRMay 19, 2025
Malware families discovery via Open-Set Recognition on Android manifest permissions

Filippo Leveni, Matteo Mistura, Francesco Iubatti et al.

Malware are malicious programs that are grouped into families based on their penetration technique, source code, and other characteristics. Classifying malware programs into their respective families is essential for building effective defenses against cyber threats. Machine learning models have a huge potential in malware detection on mobile devices, as malware families can be recognized by classifying permission data extracted from Android manifest files. Still, the malware classification task is challenging due to the high-dimensional nature of permission data and the limited availability of training samples. In particular, the steady emergence of new malware families makes it impossible to acquire a comprehensive training set covering all the malware classes. In this work, we present a malware classification system that, on top of classifying known malware, detects new ones. In particular, we combine an open-set recognition technique developed within the computer vision community, namely MaxLogit, with a tree-based Gradient Boosting classifier, which is particularly effective in classifying high-dimensional data. Our solution turns out to be very practical, as it can be seamlessly employed in a standard classification workflow, and efficient, as it adds minimal computational overhead. Experiments on public and proprietary datasets demonstrate the potential of our solution, which has been deployed in a business environment.

4.1LGApr 25, 2025
FX-DARTS: Designing Topology-unconstrained Architectures with Differentiable Architecture Search and Entropy-based Super-network Shrinking

Xuan Rao, Bo Zhao, Derong Liu et al.

Strong priors are imposed on the search space of Differentiable Architecture Search (DARTS), such that cells of the same type share the same topological structure and each intermediate node retains two operators from distinct nodes. While these priors reduce optimization difficulties and improve the applicability of searched architectures, they hinder the subsequent development of automated machine learning (Auto-ML) and prevent the optimization algorithm from exploring more powerful neural networks through improved architectural flexibility. This paper aims to reduce these prior constraints by eliminating restrictions on cell topology and modifying the discretization mechanism for super-networks. Specifically, the Flexible DARTS (FX-DARTS) method, which leverages an Entropy-based Super-Network Shrinking (ESS) framework, is presented to address the challenges arising from the elimination of prior constraints. Notably, FX-DARTS enables the derivation of neural architectures without strict prior rules while maintaining the stability in the enlarged search space. Experimental results on image classification benchmarks demonstrate that FX-DARTS is capable of exploring a set of neural architectures with competitive trade-offs between performance and computational complexity within a single search procedure.

4.1LGFeb 13, 2025
Learning to Predict Global Atrial Fibrillation Dynamics from Sparse Measurements

Alexander Jenkins, Andrea Cini, Joseph Barker et al.

Catheter ablation of Atrial Fibrillation (AF) consists of a one-size-fits-all treatment with limited success in persistent AF. This may be due to our inability to map the dynamics of AF with the limited resolution and coverage provided by sequential contact mapping catheters, preventing effective patient phenotyping for personalised, targeted ablation. Here we introduce FibMap, a graph recurrent neural network model that reconstructs global AF dynamics from sparse measurements. Trained and validated on 51 non-contact whole atria recordings, FibMap reconstructs whole atria dynamics from 10% surface coverage, achieving a 210% lower mean absolute error and an order of magnitude higher performance in tracking phase singularities compared to baseline methods. Clinical utility of FibMap is demonstrated on real-world contact mapping recordings, achieving reconstruction fidelity comparable to non-contact mapping. FibMap's state-spaces and patient-specific parameters offer insights for electrophenotyping AF. Integrating FibMap into clinical practice could enable personalised AF care and improve outcomes.

2.6LGOct 18, 2024
On the Regularization of Learnable Embeddings for Time Series Forecasting

Luca Butera, Giovanni De Felice, Andrea Cini et al.

In forecasting multiple time series, accounting for the individual features of each sequence can be challenging. To address this, modern deep learning methods for time series analysis combine a shared (global) model with local layers, specific to each time series, often implemented as learnable embeddings. Ideally, these local embeddings should encode meaningful representations of the unique dynamics of each sequence. However, when these are learned end-to-end as parameters of a forecasting model, they may end up acting as mere sequence identifiers. Shared processing blocks may then become reliant on such identifiers, limiting their transferability to new contexts. In this paper, we address this issue by investigating methods to regularize the learning of local learnable embeddings for time series processing. Specifically, we perform the first extensive empirical study on the subject and show how such regularizations consistently improve performance in widely adopted architectures. Furthermore, we show that methods attempting to prevent the co-adaptation of local and global parameters by means of embeddings perturbation are particularly effective in this context. In this regard, we include in the comparison several perturbation-based regularization methods, going as far as periodically resetting the embeddings during training. The obtained results provide an important contribution to understanding the interplay between learnable local parameters and shared processing layers: a key challenge in modern time series processing models and a step toward developing effective foundation models for time series.

17.5LGMay 30, 2023Code
Graph-based Time Series Clustering for End-to-End Hierarchical Forecasting

Andrea Cini, Danilo Mandic, Cesare Alippi

Relationships among time series can be exploited as inductive biases in learning effective forecasting models. In hierarchical time series, relationships among subsets of sequences induce hard constraints (hierarchical inductive biases) on the predicted values. In this paper, we propose a graph-based methodology to unify relational and hierarchical inductive biases in the context of deep learning for time series forecasting. In particular, we model both types of relationships as dependencies in a pyramidal graph structure, with each pyramidal layer corresponding to a level of the hierarchy. By exploiting modern - trainable - graph pooling operators we show that the hierarchical structure, if not available as a prior, can be learned directly from data, thus obtaining cluster assignments aligned with the forecasting objective. A differentiable reconciliation stage is incorporated into the processing architecture, allowing hierarchical constraints to act both as an architectural bias as well as a regularization element for predictions. Simulation results on representative datasets show that the proposed method compares favorably against the state of the art.

2.3ARNov 29, 2021
A Graph Deep Learning Framework for High-Level Synthesis Design Space Exploration

Lorenzo Ferretti, Andrea Cini, Georgios Zacharopoulos et al.

The design of efficient hardware accelerators for high-throughput data-processing applications, e.g., deep neural networks, is a challenging task in computer architecture design. In this regard, High-Level Synthesis (HLS) emerges as a solution for fast prototyping application-specific hardware starting from a behavioural description of the application computational flow. This Design-Space Exploration (DSE) aims at identifying Pareto optimal synthesis configurations whose exhaustive search is often unfeasible due to the design-space dimensionality and the prohibitive computational cost of the synthesis process. Within this framework, we effectively and efficiently address the design problem by proposing, for the first time in the literature, graph neural networks that jointly predict acceleration performance and hardware costs of a synthesized behavioral specification given optimization directives. The learned model can be used to rapidly approach the Pareto curve by guiding the DSE, taking into account performance and cost estimates. The proposed method outperforms traditional HLS-driven DSE approaches, by accounting for arbitrary length of computer programs and the invariant properties of the input. We propose a novel hybrid control and data flow graph representation that enables training the graph neural network on specifications of different hardware accelerators; the methodology naturally transfers to unseen data-processing applications too. Moreover, we show that our approach achieves prediction accuracy comparable with that of commonly used simulators without having access to analytical models of the HLS compiler and the target FPGA, while being orders of magnitude faster. Finally, the learned representation can be exploited for DSE in unexplored configuration spaces by fine-tuning on a small number of samples from the new target domain.

8.0SYNov 16, 2021
Graph neural network-based fault diagnosis: a review

Zhiwen Chen, Jiamin Xu, Cesare Alippi et al.

Graph neural network (GNN)-based fault diagnosis (FD) has received increasing attention in recent years, due to the fact that data coming from several application domains can be advantageously represented as graphs. Indeed, this particular representation form has led to superior performance compared to traditional FD approaches. In this review, an easy introduction to GNN, potential applications to the field of fault diagnosis, and future perspectives are given. First, the paper reviews neural network-based FD methods by focusing on their data representations, namely, time-series, images, and graphs. Second, basic principles and principal architectures of GNN are introduced, with attention to graph convolutional networks, graph attention networks, graph sample and aggregate, graph auto-encoder, and spatial-temporal graph convolutional networks. Third, the most relevant fault diagnosis methods based on GNN are validated through the detailed experiments, and conclusions are made that the GNN-based methods can achieve good fault diagnosis performance. Finally, discussions and future challenges are provided.

17.9LGOct 27, 2021Code
Learning Graph Cellular Automata

Daniele Grattarola, Lorenzo Livi, Cesare Alippi

Cellular automata (CA) are a class of computational models that exhibit rich dynamics emerging from the local interaction of cells arranged in a regular lattice. In this work we focus on a generalised version of typical CA, called graph cellular automata (GCA), in which the lattice structure is replaced by an arbitrary graph. In particular, we extend previous work that used convolutional neural networks to learn the transition rule of conventional CA and we use graph neural networks to learn a variety of transition rules for GCA. First, we present a general-purpose architecture for learning GCA, and we show that it can represent any arbitrary GCA with finite and discrete state space. Then, we test our approach on three different tasks: 1) learning the transition rule of a GCA on a Voronoi tessellation; 2) imitating the behaviour of a group of flocking agents; 3) learning a rule that converges to a desired target state.

25.2LGOct 11, 2021Code
Understanding Pooling in Graph Neural Networks

Daniele Grattarola, Daniele Zambon, Filippo Maria Bianchi et al.

Inspired by the conventional pooling layers in convolutional neural networks, many recent works in the field of graph machine learning have introduced pooling operators to reduce the size of graphs. The great variety in the literature stems from the many possible strategies for coarsening a graph, which may depend on different assumptions on the graph structure or the specific downstream task. In this paper we propose a formal characterization of graph pooling based on three main operations, called selection, reduction, and connection, with the goal of unifying the literature under a common framework. Following this formalization, we introduce a taxonomy of pooling operators and categorize more than thirty pooling methods proposed in recent literature. We propose criteria to evaluate the performance of a pooling operator and use them to investigate and contrast the behavior of different classes of the taxonomy on a variety of tasks.

26.7LGJul 31, 2021Code
Filling the G_ap_s: Multivariate Time Series Imputation by Graph Neural Networks

Andrea Cini, Ivan Marisca, Cesare Alippi

Dealing with missing values and incomplete time series is a labor-intensive, tedious, inevitable task when handling data coming from real-world applications. Effective spatio-temporal representations would allow imputation methods to reconstruct missing temporal data by exploiting information coming from sensors at different locations. However, standard methods fall short in capturing the nonlinear time and space dependencies existing within networks of interconnected sensors and do not take full advantage of the available - and often strong - relational information. Notably, most state-of-the-art imputation methods based on deep learning do not explicitly model relational aspects and, in any case, do not exploit processing frameworks able to adequately represent structured spatio-temporal data. Conversely, graph neural networks have recently surged in popularity as both expressive and scalable tools for processing sequential data with relational inductive biases. In this work, we present the first assessment of graph neural networks in the context of multivariate time series imputation. In particular, we introduce a novel graph neural network architecture, named GRIN, which aims at reconstructing missing data in the different channels of a multivariate time series by learning spatio-temporal representations through message passing. Empirical results show that our model outperforms state-of-the-art methods in the imputation task on relevant real-world benchmarks with mean absolute error improvements often higher than 20%.

16.4NEMar 24, 2020
Input-to-State Representation in linear reservoirs dynamics

Pietro Verzelli, Cesare Alippi, Lorenzo Livi et al.

Reservoir computing is a popular approach to design recurrent neural networks, due to its training simplicity and approximation performance. The recurrent part of these networks is not trained (e.g., via gradient descent), making them appealing for analytical studies by a large community of researchers with backgrounds spanning from dynamical systems to neuroscience. However, even in the simple linear case, the working principle of these networks is not fully understood and their design is usually driven by heuristics. A novel analysis of the dynamics of such networks is proposed, which allows the investigator to express the state evolution using the controllability matrix. Such a matrix encodes salient characteristics of the network dynamics; in particular, its rank represents an input-indepedent measure of the memory capacity of the network. Using the proposed approach, it is possible to compare different reservoir architectures and explain why a cyclic topology achieves favourable results as verified by practitioners.

7.9LGMar 20, 2020
Deep Reinforcement Learning with Weighted Q-Learning

Andrea Cini, Carlo D'Eramo, Jan Peters et al.

Reinforcement learning algorithms based on Q-learning are driving Deep Reinforcement Learning (DRL) research towards solving complex problems and achieving super-human performance on many of them. Nevertheless, Q-Learning is known to be positively biased since it learns by using the maximum over noisy estimates of expected values. Systematic overestimation of the action values coupled with the inherently high variance of DRL methods can lead to incrementally accumulate errors, causing learning algorithms to diverge. Ideally, we would like DRL agents to take into account their own uncertainty about the optimality of each action, and be able to exploit it to make more informed estimations of the expected return. In this regard, Weighted Q-Learning (WQL) effectively reduces bias and shows remarkable results in stochastic environments. WQL uses a weighted sum of the estimated action values, where the weights correspond to the probability of each action value being the maximum; however, the computation of these probabilities is only practical in the tabular setting. In this work, we provide methodological advances to benefit from the WQL properties in DRL, by using neural networks trained with Dropout as an effective approximation of deep Gaussian processes. In particular, we adopt the Concrete Dropout variant to obtain calibrated estimates of epistemic uncertainty in DRL. The estimator, then, is obtained by taking several stochastic forward passes through the action-value network and computing the weights in a Monte Carlo fashion. Such weights are Bayesian estimates of the probability of each action value corresponding to the maximum w.r.t. a posterior probability distribution estimated by Dropout. We show how our novel Deep Weighted Q-Learning algorithm reduces the bias w.r.t. relevant baselines and provides empirical evidence of its advantages on representative benchmarks.

15.3LGOct 24, 2019Code
Hierarchical Representation Learning in Graph Neural Networks with Node Decimation Pooling

Filippo Maria Bianchi, Daniele Grattarola, Lorenzo Livi et al.

In graph neural networks (GNNs), pooling operators compute local summaries of input graphs to capture their global properties, and they are fundamental for building deep GNNs that learn hierarchical representations. In this work, we propose the Node Decimation Pooling (NDP), a pooling operator for GNNs that generates coarser graphs while preserving the overall graph topology. During training, the GNN learns new node representations and fits them to a pyramid of coarsened graphs, which is computed offline in a pre-processing stage. NDP consists of three steps. First, a node decimation procedure selects the nodes belonging to one side of the partition identified by a spectral algorithm that approximates the \maxcut{} solution. Afterwards, the selected nodes are connected with Kron reduction to form the coarsened graph. Finally, since the resulting graph is very dense, we apply a sparsification procedure that prunes the adjacency matrix of the coarsened graph to reduce the computational cost in the GNN. Notably, we show that it is possible to remove many edges without significantly altering the graph structure. Experimental results show that NDP is more efficient compared to state-of-the-art graph pooling operators while reaching, at the same time, competitive performance on a significant variety of graph classification tasks.

9.5LGSep 9, 2019Code
Graph Random Neural Features for Distance-Preserving Graph Representations

Daniele Zambon, Cesare Alippi, Lorenzo Livi

We present Graph Random Neural Features (GRNF), a novel embedding method from graph-structured data to real vectors based on a family of graph neural networks. The embedding naturally deals with graph isomorphism and preserves the metric structure of the graph domain, in probability. In addition to being an explicit embedding method, it also allows us to efficiently and effectively approximate graph metric distances (as well as complete kernel functions); a criterion to select the embedding dimension trading off the approximation accuracy with the computational cost is also provided. GRNF can be used within traditional processing methods or as a training-free input layer of a graph neural network. The theoretical guarantees that accompany GRNF ensure that the considered graph distance is metric, hence allowing to distinguish any pair of non-isomorphic graphs.

15.1LGJul 22, 2019
Deep Learning for Time Series Forecasting: The Electric Load Case

Alberto Gasparin, Slobodan Lukovic, Cesare Alippi

Management and efficient operations in critical infrastructure such as Smart Grids take huge advantage of accurate power load forecasting which, due to its nonlinear nature, remains a challenging task. Recently, deep learning has emerged in the machine learning field achieving impressive performance in a vast range of tasks, from image classification to machine translation. Applications of deep learning models to the electric load forecasting problem are gaining interest among researchers as well as the industry, but a comprehensive and sound comparison among different architectures is not yet available in the literature. This work aims at filling the gap by reviewing and experimentally evaluating on two real-world datasets the most recent trends in electric load forecasting, by contrasting deep learning architectures on short term forecast (one day ahead prediction). Specifically, we focus on feedforward and recurrent neural networks, sequence to sequence models and temporal convolutional neural networks along with architectural variants, which are known in the signal processing community but are novel to the load forecasting one.

34.3LGJun 30, 2019Code
Spectral Clustering with Graph Neural Networks for Graph Pooling

Filippo Maria Bianchi, Daniele Grattarola, Cesare Alippi

Spectral clustering (SC) is a popular clustering technique to find strongly connected communities on a graph. SC can be used in Graph Neural Networks (GNNs) to implement pooling operations that aggregate nodes belonging to the same cluster. However, the eigendecomposition of the Laplacian is expensive and, since clustering results are graph-specific, pooling methods based on SC must perform a new optimization for each new sample. In this paper, we propose a graph clustering approach that addresses these limitations of SC. We formulate a continuous relaxation of the normalized minCUT problem and train a GNN to compute cluster assignments that minimize this objective. Our GNN-based implementation is differentiable, does not require to compute the spectral decomposition, and learns a clustering function that can be quickly evaluated on out-of-sample graphs. From the proposed clustering method, we design a graph pooling operator that overcomes some important limitations of state-of-the-art graph pooling techniques and achieves the best performance in several supervised and unsupervised tasks.

17.6NEMar 27, 2019
Echo State Networks with Self-Normalizing Activations on the Hyper-Sphere

Pietro Verzelli, Cesare Alippi, Lorenzo Livi

Among the various architectures of Recurrent Neural Networks, Echo State Networks (ESNs) emerged due to their simplified and inexpensive training procedure. These networks are known to be sensitive to the setting of hyper-parameters, which critically affect their behaviour. Results show that their performance is usually maximized in a narrow region of hyper-parameter space called edge of chaos. Finding such a region requires searching in hyper-parameter space in a sensible way: hyper-parameter configurations marginally outside such a region might yield networks exhibiting fully developed chaos, hence producing unreliable computations. The performance gain due to optimizing hyper-parameters can be studied by considering the memory--nonlinearity trade-off, i.e., the fact that increasing the nonlinear behavior of the network degrades its ability to remember past inputs, and vice-versa. In this paper, we propose a model of ESNs that eliminates critical dependence on hyper-parameters, resulting in networks that provably cannot enter a chaotic regime and, at the same time, denotes nonlinear behaviour in phase space characterised by a large memory of past inputs, comparable to the one of linear networks. Our contribution is supported by experiments corroborating our theoretical findings, showing that the proposed model displays dynamics that are rich-enough to approximate many common nonlinear systems used for benchmarking.

5.4LGMar 18, 2019Code
Autoregressive Models for Sequences of Graphs

Daniele Zambon, Daniele Grattarola, Lorenzo Livi et al.

This paper proposes an autoregressive (AR) model for sequences of graphs, which generalises traditional AR models. A first novelty consists in formalising the AR model for a very general family of graphs, characterised by a variable topology, and attributes associated with nodes and edges. A graph neural network (GNN) is also proposed to learn the AR function associated with the graph-generating process (GGP), and subsequently predict the next graph in a sequence. The proposed method is compared with four baselines on synthetic GGPs, denoting a significantly better performance on all considered problems.

33.4LGJan 5, 2019
Graph Neural Networks with convolutional ARMA filters

Filippo Maria Bianchi, Daniele Grattarola, Lorenzo Livi et al.

Popular graph neural networks implement convolution operations on graphs based on polynomial spectral filters. In this paper, we propose a novel graph convolutional layer inspired by the auto-regressive moving average (ARMA) filter that, compared to polynomial ones, provides a more flexible frequency response, is more robust to noise, and better captures the global graph structure. We propose a graph neural network implementation of the ARMA filter with a recursive and distributed formulation, obtaining a convolutional layer that is efficient to train, localized in the node space, and can be transferred to new graphs at test time. We perform a spectral analysis to study the filtering effect of the proposed ARMA layer and report experiments on four downstream tasks: semi-supervised node classification, graph signal classification, graph classification, and graph regression. Results show that the proposed ARMA layer brings significant improvements over graph neural networks based on polynomial filters.

13.0LGDec 11, 2018Code
Adversarial Autoencoders with Constant-Curvature Latent Manifolds

Daniele Grattarola, Lorenzo Livi, Cesare Alippi

Constant-curvature Riemannian manifolds (CCMs) have been shown to be ideal embedding spaces in many application domains, as their non-Euclidean geometry can naturally account for some relevant properties of data, like hierarchy and circularity. In this work, we introduce the CCM adversarial autoencoder (CCM-AAE), a probabilistic generative model trained to represent a data distribution on a CCM. Our method works by matching the aggregated posterior of the CCM-AAE with a probability distribution defined on a CCM, so that the encoder implicitly learns to represent data on the CCM to fool the discriminator network. The geometric constraint is also explicitly imposed by jointly training the CCM-AAE to maximise the membership degree of the embeddings to the CCM. While a few works in recent literature make use of either hyperspherical or hyperbolic manifolds for different learning tasks, ours is the first unified framework to seamlessly deal with CCMs of different curvatures. We show the effectiveness of our model on three different datasets characterised by non-trivial geometry: semi-supervised classification on MNIST, link prediction on two popular citation datasets, and graph-based molecule generation using the QM9 chemical database. Results show that our method improves upon other autoencoders based on Euclidean and non-Euclidean geometries on all tasks taken into account.

4.8NEOct 3, 2018
A characterization of the Edge of Criticality in Binary Echo State Networks

Pietro Verzelli, Lorenzo Livi, Cesare Alippi

Echo State Networks (ESNs) are simplified recurrent neural network models composed of a reservoir and a linear, trainable readout layer. The reservoir is tunable by some hyper-parameters that control the network behaviour. ESNs are known to be effective in solving tasks when configured on a region in (hyper-)parameter space called \emph{Edge of Criticality} (EoC), where the system is maximally sensitive to perturbations hence affecting its behaviour. In this paper, we propose binary ESNs, which are architecturally equivalent to standard ESNs but consider binary activation functions and binary recurrent weights. For these networks, we derive a closed-form expression for the EoC in the autonomous case and perform simulations in order to assess their behavior in the case of noisy neurons and in the presence of a signal. We propose a theoretical explanation for the fact that the variance of the input plays a major role in characterizing the EoC.

3.5MLMay 18, 2018
Change Point Methods on a Sequence of Graphs

Daniele Zambon, Cesare Alippi, Lorenzo Livi

Given a finite sequence of graphs, e.g., coming from technological, biological, and social networks, the paper proposes a methodology to identify possible changes in stationarity in the stochastic process generating the graphs. In order to cover a large class of applications, we consider the general family of attributed graphs where both topology (number of vertexes and edge configuration) and related attributes are allowed to change also in the stationary case. Novel Change Point Methods (CPMs) are proposed, that (i) map graphs into a vector domain; (ii) apply a suitable statistical test in the vector space; (iii) detect the change --if any-- according to a confidence level and provide an estimate for its time occurrence. Two specific multivariate CPMs have been designed: one that detects shifts in the distribution mean, the other addressing generic changes affecting the distribution. We ground our proposal with theoretical results showing how to relate the inference attained in the numerical vector space to the graph domain, and vice versa. We also show how to extend the methodology for handling multiple change points in the same sequence. Finally, the proposed CPMs have been validated on real data sets coming from epileptic-seizure detection problems and on labeled data sets for graph classification. Results show the effectiveness of what proposed in relevant application scenarios.

12.6MLMay 16, 2018Code
Change Detection in Graph Streams by Learning Graph Embeddings on Constant-Curvature Manifolds

Daniele Grattarola, Daniele Zambon, Cesare Alippi et al.

The space of graphs is often characterised by a non-trivial geometry, which complicates learning and inference in practical applications. A common approach is to use embedding techniques to represent graphs as points in a conventional Euclidean space, but non-Euclidean spaces have often been shown to be better suited for embedding graphs. Among these, constant-curvature Riemannian manifolds (CCMs) offer embedding spaces suitable for studying the statistical properties of a graph distribution, as they provide ways to easily compute metric geodesic distances. In this paper, we focus on the problem of detecting changes in stationarity in a stream of attributed graphs. To this end, we introduce a novel change detection framework based on neural networks and CCMs, that takes into account the non-Euclidean nature of graphs. Our contribution in this work is twofold. First, via a novel approach based on adversarial learning, we compute graph embeddings by training an autoencoder to represent graphs on CCMs. Second, we introduce two novel change detection tests operating on CCMs. We perform experiments on synthetic data, as well as two real-world application scenarios: the detection of epileptic seizures using functional connectivity brain networks, and the detection of hostility between two subjects, using human skeletal graphs. Results show that the proposed methods are able to detect even small changes in a graph-generating process, consistently outperforming approaches based on Euclidean embeddings.