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Lorenzo Livi

Publications and source records attributed to Lorenzo Livi.

At least 19 recordsLinked to original sources

Anti-Collapse Dynamics and the Emergence of Multi-Time-Scale Learning in Recurrent Neural Networks

Long-range learning is hard for recurrent networks trained with stochastic gradient descent, because the influence of a past input fades with the lag $\ell$, and if it fades too fast the dependence cannot be learned from finite data. This fade is captured by an envelope $f(\ell)$. An exponential fade makes the data needed to learn a lag-$\ell$ dependence grow exponentially, putting long horizons out of reach; a power-law fade keeps the cost polynomial. We show that the asymptotic decay behavior of $f(\ell)$ is not fixed by the architecture. Instead, it emerges from the coupling between the state dynamics and parameter dynamics, settling into either a collapsed regime (fast, exponential forgetting) or an extended, anti-collapsed regime (slow, power-law forgetting). The intuition is a competition within these coupled dynamics. Training drives the network's effective time scales toward short ones, while rare, heavy-tailed fluctuations of the learning dynamics push a few of them to very long values. Along the route studied here, the extended regime survives only when these heavy-tailed pushes are strong enough to balance the pull. We make this mathematically precise with a coarse-grained stochastic process and derive an explicit threshold at which this route to the extended regime becomes available. A single exponent, the spectral exponent~$β$, then governs both the spread of time scales and how slowly the network forgets. Realizing the regime in practice needs one more ingredient: the joint action of the architecture and the optimizer must be able to hold such a broad spread. A network whose capacity to generate broad time-scale spectra is severely constrained still collapses, even when supplied with strong heavy-tailed forcing. Heavy-tailed fluctuations thus act not as noise to be suppressed, but as the mechanism that sustains long-range learning.

cs.LG

Learnability Window in Gated Recurrent Neural Networks

We develop a statistical theory of temporal learnability in recurrent neural networks, quantifying the maximal temporal horizon $\mathcal{H}_N$ over which gradient-based learning can recover lag-dependent structure at finite sample size $N$. The theory is built on the effective learning rate envelope $f(\ell)$, a function that captures how gating mechanisms and adaptive optimizers jointly shape the coupling between state-space dynamics and parameter updates during Backpropagation Through Time. Under heavy-tailed ($α$-stable) fluctuations, where empirical averages concentrate at rate $N^{-1/κ_α}$ with $κ_α= α/(α-1)$, the interplay between envelope decay and statistical concentration yields explicit scaling laws for the growth of $\mathcal{H}_N$: logarithmic, polynomial, and exponential temporal learning regimes emerge according to the decay law of $f(\ell)$. These results identify envelope decay as the key determinant of temporal learnability. Slower attenuation of $f(\ell)$ enlarges $\mathcal{H}_N$, while heavy-tailed fluctuations compress it by weakening statistical concentration. Moreover, envelope geometry outweighs dataset size: slowing the envelope's decay enlarges $\mathcal{H}_N$ more than adding data, so more complex architectures that realize slower-decaying envelopes can be more data-efficient than simpler ones. Experiments across multiple gated architectures and optimizers corroborate these structural predictions.

cs.LG

Time-Scale Coupling Between States and Parameters in Recurrent Neural Networks

We show that gating mechanisms in recurrent neural networks (RNNs) induce lag-dependent and direction-dependent effective learning rates, even when training uses a fixed, global step size. This behavior arises from a coupling between state-space time-scales (parametrized by the gates) and parameter-space dynamics during gradient descent. By deriving exact Jacobians for leaky-integrator and gated RNNs and applying a first-order expansion, we make explicit how constant, scalar, and multi-dimensional gates reshape gradient propagation, modulate effective step sizes, and introduce anisotropy in parameter updates. These findings reveal that gates act not only as filters of information flow, but also as data-driven preconditioners of optimization, with formal connections to learning-rate schedules, momentum, and adaptive methods such as Adam. Empirical simulations corroborate these predictions: across several sequence tasks, gates produce lag-dependent effective learning rates and concentrate gradient flow into low-dimensional subspaces, matching or exceeding the anisotropic structure induced by Adam. Notably, gating and optimizer-driven adaptivity shape complementary aspects of credit assignment: gates align state-space transport with loss-relevant directions, while optimizers rescale parameter-space updates. Overall, this work provides a unified dynamical systems perspective on how gating couples state evolution with parameter updates, clarifying why gated architectures achieve robust trainability in practice.

cs.LG

Hierarchical Representation Learning in Graph Neural Networks with Node Decimation Pooling

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.

cs.LG

Embedding and trajectories of temporal networks

Temporal network data are increasingly available in various domains, and often represent highly complex systems with intricate structural and temporal evolutions. Due to the difficulty of processing such complex data, it may be useful to coarse grain temporal network data into a numeric trajectory embedded in a low-dimensional space. We refer to such a procedure as temporal network embedding, which is distinct from procedures that aim at embedding individual nodes. Temporal network embedding is a challenging task because we often have access only to discrete time-stamped events between node pairs, and, in general, the events occur with irregular intervals, making the construction of the network at a given time a nontrivial question already. We propose a method to generate trajectories of temporal networks embedded in a low-dimensional space given a sequence of time-stamped events as input. We realize this goal by combining the landmark multidimensional scaling, which is an out-of-sample extension of the well-known multidimensional scaling method, and the framework of tie-decay temporal networks. This combination enables us to obtain a continuous-time trajectory describing the evolution of temporal networks. We then study mathematical properties of the proposed temporal network embedding framework. Finally, we showcase the method with empirical data of social contacts to find temporal organization of contact events and loss of them over a single day and across different days.

physics.soc-ph

Transferring Chemical and Energetic Knowledge Between Molecular Systems with Machine Learning

Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine. In the past decade, the advent of machine learning algorithms has impacted on molecular simulations for various tasks, including property prediction of atomistic systems. In this paper, we propose a novel methodology for transferring knowledge obtained from simple molecular systems to a more complex one, possessing a significantly larger number of atoms and degrees of freedom. In particular, we focus on the classification of high and low free-energy states. Our approach relies on utilizing (i) a novel hypergraph representation of molecules, encoding all relevant information for characterizing the potential energy of a conformation, and (ii) novel message passing and pooling layers for processing and making predictions on such hypergraph-structured data. Despite the complexity of the problem, our results show a remarkable AUC of 0.92 for transfer learning from tri-alanine to the deca-alanine system. Moreover, we show that the very same transfer learning approach can be used to group, in an unsupervised way, various secondary structures of deca-alanine in clusters having similar free-energy values. Our study represents a proof of concept that reliable transfer learning models for molecular systems can be designed paving the way to unexplored routes in prediction of structural and energetic properties of biologically relevant systems.

physics.chem-ph

Message Passing Neural Networks for Hypergraphs

Hypergraph representations are both more efficient and better suited to describe data characterized by relations between two or more objects. In this work, we present a new graph neural network based on message passing capable of processing hypergraph-structured data. We show that the proposed model defines a design space for neural network models for hypergraphs, thus generalizing existing models for hypergraphs. We report experiments on a benchmark dataset for node classification, highlighting the effectiveness of the proposed model with respect to other state-of-the-art methods for graphs and hypergraphs. We also discuss the benefits of using hypergraph representations and, at the same time, highlight the limitation of using equivalent graph representations when the underlying problem has relations among more than two objects.

cs.LG

Learning Graph Cellular Automata

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.

cs.LG

Learn to Synchronize, Synchronize to Learn

In recent years, the machine learning community has seen a continuous growing interest in research aimed at investigating dynamical aspects of both training procedures and machine learning models. Of particular interest among recurrent neural networks we have the Reservoir Computing (RC) paradigm characterized by conceptual simplicity and a fast training scheme. Yet, the guiding principles under which RC operates are only partially understood. In this work, we analyze the role played by Generalized Synchronization (GS) when training a RC to solve a generic task. In particular, we show how GS allows the reservoir to correctly encode the system generating the input signal into its dynamics. We also discuss necessary and sufficient conditions for the learning to be feasible in this approach. Moreover, we explore the role that ergodicity plays in this process, showing how its presence allows the learning outcome to apply to multiple input trajectories. Finally, we show that satisfaction of the GS can be measured by means of the Mutual False Nearest Neighbors index, which makes effective to practitioners theoretical derivations.

cs.LG

Input-to-State Representation in linear reservoirs dynamics

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.

cs.NE

Graph Neural Networks with convolutional ARMA filters

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.

cs.LG

Recurrence Quantification Analysis of Dynamic Brain Networks

Evidence suggests that brain network dynamics is a key determinant of brain function and dysfunction. Here we propose a new framework to assess the dynamics of brain networks based on recurrence analysis. Our framework uses recurrence plots and recurrence quantification analysis to characterize dynamic networks. For resting-state magnetoencephalographic dynamic functional networks (dFNs), we have found that functional networks recur more quickly in people with epilepsy than healthy controls. This suggests that recurrence of dFNs may be used as a biomarker of epilepsy. For stereo electroencephalography data, we have found that dFNs involved in epileptic seizures emerge before seizure onset, and recurrence analysis allows us to detect seizures. We further observe distinct dFNs before and after seizures, which may inform neurostimulation strategies to prevent seizures. Our framework can also be used for understanding dFNs in healthy brain function and in other neurological disorders besides epilepsy.

q-bio.NC

Graph Random Neural Features for Distance-Preserving Graph Representations

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.

cs.LG

The Echo Index and multistability in input-driven recurrent neural networks

A recurrent neural network (RNN) possesses the echo state property (ESP) if, for a given input sequence, it ``forgets'' any internal states of the driven (nonautonomous) system and asymptotically follows a unique, possibly complex trajectory. The lack of ESP is conventionally understood as a lack of reliable behaviour in RNNs. Here, we show that RNNs can reliably perform computations under a more general principle that accounts only for their local behaviour in phase space. To this end, we formulate a generalisation of the ESP and introduce an echo index to characterise the number of simultaneously stable responses of a driven RNN. We show that it is possible for the echo index to change with inputs, highlighting a potential source of computational errors in RNNs due to characteristics of the inputs driving the dynamics.

math.DS

Echo State Networks with Self-Normalizing Activations on the Hyper-Sphere

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.

cs.NE

Learning representations for multivariate time series with missing data using Temporal Kernelized Autoencoders

Learning compressed representations of multivariate time series (MTS) facilitates data analysis in the presence of noise and redundant information, and for a large number of variates and time steps. However, classical dimensionality reduction approaches are designed for vectorial data and cannot deal explicitly with missing values. In this work, we propose a novel autoencoder architecture based on recurrent neural networks to generate compressed representations of MTS. The proposed model can process inputs characterized by variable lengths and it is specifically designed to handle missing data. Our autoencoder learns fixed-length vectorial representations, whose pairwise similarities are aligned to a kernel function that operates in input space and that handles missing values. This allows to learn good representations, even in the presence of a significant amount of missing data. To show the effectiveness of the proposed approach, we evaluate the quality of the learned representations in several classification tasks, including those involving medical data, and we compare to other methods for dimensionality reduction. Successively, we design two frameworks based on the proposed architecture: one for imputing missing data and another for one-class classification. Finally, we analyze under what circumstances an autoencoder with recurrent layers can learn better compressed representations of MTS than feed-forward architectures.

cs.NE

Adversarial Autoencoders with Constant-Curvature Latent Manifolds

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.

cs.LG

Change Detection in Graph Streams by Learning Graph Embeddings on Constant-Curvature Manifolds

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.

stat.ML