arXiv subjects

Davide Bacciu

Publications and source records attributed to Davide Bacciu.

At least 37 records · Page 2Linked to original sources

arXiv2025

ECLYPSE: a Python Framework for Simulation and Emulation of the Cloud-Edge Continuum

The Cloud-Edge continuum enhances application performance by bringing computation closer to data sources. However, it presents considerable challenges in managing resources and determining service placement, as these tasks require navigating diverse, dynamic environments characterised by fluctuating network conditions. Addressing these challenges calls for tools combining simulation and emulation of Cloud-Edge systems to rigorously assess novel application and resource management strategies. In this paper, we introduce ECLYPSE, a Python-based framework that enables the simulation and emulation of the Cloud-Edge continuum via adaptable resource allocation and service placement models. ECLYPSE features an event-driven architecture for dynamically adapting network configurations and resources. It also supports seamless transitions between simulated and emulated setups. In this work, ECLYPSE capabilities are illustrated over three use cases, showing how the framework supports rapid prototyping across diverse experimental settings.

cs.NI↗

arXiv2025

Real-time and personalized product recommendations for large e-commerce platforms

We present a methodology to provide real-time and personalized product recommendations for large e-commerce platforms, specifically focusing on fashion retail. Our approach aims to achieve accurate and scalable recommendations with minimal response times, ensuring user satisfaction, leveraging Graph Neural Networks and parsimonious learning methodologies. Extensive experimentation with datasets from one of the largest e-commerce platforms demonstrates the effectiveness of our approach in forecasting purchase sequences and handling multi-interaction scenarios, achieving efficient personalized recommendations under real-world constraints.

cs.IR↗

arXiv2025

ContinualFlow: Learning and Unlearning with Neural Flow Matching

We introduce ContinualFlow, a principled framework for targeted unlearning in generative models via Flow Matching. Our method leverages an energy-based reweighting loss to softly subtract undesired regions of the data distribution without retraining from scratch or requiring direct access to the samples to be unlearned. Instead, it relies on energy-based proxies to guide the unlearning process. We prove that this induces gradients equivalent to Flow Matching toward a soft mass-subtracted target, and validate the framework through experiments on 2D and image domains, supported by interpretable visualizations and quantitative evaluations.

cs.LG↗

arXiv2025

Convergent transcriptomic and neuroimaging signature of Autism Spectrum Disorder

Autism Spectrum Disorder (ASD) is a multi-factorial neurodevelopmental disorder, whose causes are still poorly understood. Effective therapies to reduce all the heterogeneous symptoms of the disorder do not exists yet, but behavioural programs started at a very young age may improve the quality of life of the patients. For this reason, many efforts have been dedicated to the research of a reliable biomarker for early diagnosis. Machine learning approaches to distinguish ASDs from healthy controls based on their brain Magnetic Resonance Images (MRIs) have been plagued by the problem of confounders, showing poor classification performance and inconsistency in the biomarker definition. Brain transcriptomics studies, instead, showed some converging results, but being based on data that can be acquired only post-mortem they are not useful for diagnosis. In this work, using an imaging transcriptomics approach, the following results have been obtained. 1) A deep learning based classifier resilient to confounders and able to exploit the temporal dimension of resting state functional MRIs has been developed, reaching an AUC of 0.89 on an independent test set. 2) Five gene network modules involved in ASD have been identified, by analyzing brain transcriptomics data of subjects with ASD and healthy controls. 3) By comparing the brain regions relevant for the classifier obtained in the first step and the brain-wide gene expression profiles of the modules of interest obtained in the second step, it has been proved that the regions that characterize ASD brain at the neuroimaging level are those in which four out of the five gene modules take a significantly high absolute value of expression. These results prove that, despite the heterogeneity of the disorder, it is possible to identify a neuroimaging-based biomarker of ASD, confirmed by transcriptomics.

q-bio.NC↗

arXiv2025

Automatic Music Transcription using Convolutional Neural Networks and Constant-Q transform

Automatic music transcription (AMT) is the problem of analyzing an audio recording of a musical piece and detecting notes that are being played. AMT is a challenging problem, particularly when it comes to polyphonic music. The goal of AMT is to produce a score representation of a music piece, by analyzing a sound signal containing multiple notes played simultaneously. In this work, we design a processing pipeline that can transform classical piano audio files in .wav format into a music score representation. The features from the audio signals are extracted using the constant-Q transform, and the resulting coefficients are used as an input to the convolutional neural network (CNN) model.

cs.SD↗

arXiv2025

Lifelong Evolution of Swarms

Adapting to task changes without forgetting previous knowledge is a key skill for intelligent systems, and a crucial aspect of lifelong learning. Swarm controllers, however, are typically designed for specific tasks, lacking the ability to retain knowledge across changing tasks. Lifelong learning, on the other hand, focuses on individual agents with limited insights into the emergent abilities of a collective like a swarm. To address this gap, we introduce a lifelong evolutionary framework for swarms, where a population of swarm controllers is evolved in a dynamic environment that incrementally presents novel tasks. This requires evolution to find controllers that quickly adapt to new tasks while retaining knowledge of previous ones, as they may reappear in the future. We discover that the population inherently preserves information about previous tasks, and it can reuse it to foster adaptation and mitigate forgetting. In contrast, the top-performing individual for a given task catastrophically forgets previous tasks. To mitigate this phenomenon, we design a regularization process for the evolutionary algorithm, reducing forgetting in top-performing individuals. Evolving swarms in a lifelong fashion raises fundamental questions on the current state of deep lifelong learning and on the robustness of swarm controllers in dynamic environments.

cs.NE↗

arXiv2025

Deferring Concept Bottleneck Models: Learning to Defer Interventions to Inaccurate Experts

Concept Bottleneck Models (CBMs) are machine learning models that improve interpretability by grounding their predictions on human-understandable concepts, allowing for targeted interventions in their decision-making process. However, when intervened on, CBMs assume the availability of humans that can identify the need to intervene and always provide correct interventions. Both assumptions are unrealistic and impractical, considering labor costs and human error-proneness. In contrast, Learning to Defer (L2D) extends supervised learning by allowing machine learning models to identify cases where a human is more likely to be correct than the model, thus leading to deferring systems with improved performance. In this work, we gain inspiration from L2D and propose Deferring CBMs (DCBMs), a novel framework that allows CBMs to learn when an intervention is needed. To this end, we model DCBMs as a composition of deferring systems and derive a consistent L2D loss to train them. Moreover, by relying on a CBM architecture, DCBMs can explain why defer occurs on the final task. Our results show that DCBMs achieve high predictive performance and interpretability at the cost of deferring more to humans.

cs.LG↗

arXiv2025

On Oversquashing in Graph Neural Networks Through the Lens of Dynamical Systems

A common problem in Message-Passing Neural Networks is oversquashing -- the limited ability to facilitate effective information flow between distant nodes. Oversquashing is attributed to the exponential decay in information transmission as node distances increase. This paper introduces a novel perspective to address oversquashing, leveraging dynamical systems properties of global and local non-dissipativity, that enable the maintenance of a constant information flow rate. We present SWAN, a uniquely parameterized GNN model with antisymmetry both in space and weight domains, as a means to obtain non-dissipativity. Our theoretical analysis asserts that by implementing these properties, SWAN offers an enhanced ability to transmit information over extended distances. Empirical evaluations on synthetic and real-world benchmarks that emphasize long-range interactions validate the theoretical understanding of SWAN, and its ability to mitigate oversquashing.

cs.LG↗

arXiv2025

Towards Efficient Molecular Property Optimization with Graph Energy Based Models

Optimizing chemical properties is a challenging task due to the vastness and complexity of chemical space. Here, we present a generative energy-based architecture for implicit chemical property optimization, designed to efficiently generate molecules that satisfy target properties without explicit conditional generation. We use Graph Energy Based Models and a training approach that does not require property labels. We validated our approach on well-established chemical benchmarks, showing superior results to state-of-the-art methods and demonstrating robustness and efficiency towards de novo drug design.

q-bio.BM↗

arXiv2025

Port-Hamiltonian Architectural Bias for Long-Range Propagation in Deep Graph Networks

The dynamics of information diffusion within graphs is a critical open issue that heavily influences graph representation learning, especially when considering long-range propagation. This calls for principled approaches that control and regulate the degree of propagation and dissipation of information throughout the neural flow. Motivated by this, we introduce (port-)Hamiltonian Deep Graph Networks, a novel framework that models neural information flow in graphs by building on the laws of conservation of Hamiltonian dynamical systems. We reconcile under a single theoretical and practical framework both non-dissipative long-range propagation and non-conservative behaviors, introducing tools from mechanical systems to gauge the equilibrium between the two components. Our approach can be applied to general message-passing architectures, and it provides theoretical guarantees on information conservation in time. Empirical results prove the effectiveness of our port-Hamiltonian scheme in pushing simple graph convolutional architectures to state-of-the-art performance in long-range benchmarks.

cs.LG↗

arXiv2025

GRAMA: Adaptive Graph Autoregressive Moving Average Models

Graph State Space Models (SSMs) have recently been introduced to enhance Graph Neural Networks (GNNs) in modeling long-range interactions. Despite their success, existing methods either compromise on permutation equivariance or limit their focus to pairwise interactions rather than sequences. Building on the connection between Autoregressive Moving Average (ARMA) and SSM, in this paper, we introduce GRAMA, a Graph Adaptive method based on a learnable Autoregressive Moving Average (ARMA) framework that addresses these limitations. By transforming from static to sequential graph data, GRAMA leverages the strengths of the ARMA framework, while preserving permutation equivariance. Moreover, GRAMA incorporates a selective attention mechanism for dynamic learning of ARMA coefficients, enabling efficient and flexible long-range information propagation. We also establish theoretical connections between GRAMA and Selective SSMs, providing insights into its ability to capture long-range dependencies. Extensive experiments on 14 synthetic and real-world datasets demonstrate that GRAMA consistently outperforms backbone models and performs competitively with state-of-the-art methods.

cs.LG↗

arXiv2024

Classifier-free graph diffusion for molecular property targeting

This work focuses on the task of property targeting: that is, generating molecules conditioned on target chemical properties to expedite candidate screening for novel drug and materials development. DiGress is a recent diffusion model for molecular graphs whose distinctive feature is allowing property targeting through classifier-based (CB) guidance. While CB guidance may work to generate molecular-like graphs, we hint at the fact that its assumptions apply poorly to the chemical domain. Based on this insight we propose a classifier-free DiGress (FreeGress), which works by directly injecting the conditioning information into the training process. CF guidance is convenient given its less stringent assumptions and since it does not require to train an auxiliary property regressor, thus halving the number of trainable parameters in the model. We empirically show that our model yields up to 79% improvement in Mean Absolute Error with respect to DiGress on property targeting tasks on QM9 and ZINC-250k benchmarks. As an additional contribution, we propose a simple yet powerful approach to improve chemical validity of generated samples, based on the observation that certain chemical properties such as molecular weight correlate with the number of atoms in molecules.

cs.LG↗

arXiv2024

Adaptive Hyperparameter Optimization for Continual Learning Scenarios

Hyperparameter selection in continual learning scenarios is a challenging and underexplored aspect, especially in practical non-stationary environments. Traditional approaches, such as grid searches with held-out validation data from all tasks, are unrealistic for building accurate lifelong learning systems. This paper aims to explore the role of hyperparameter selection in continual learning and the necessity of continually and automatically tuning them according to the complexity of the task at hand. Hence, we propose leveraging the nature of sequence task learning to improve Hyperparameter Optimization efficiency. By using the functional analysis of variance-based techniques, we identify the most crucial hyperparameters that have an impact on performance. We demonstrate empirically that this approach, agnostic to continual scenarios and strategies, allows us to speed up hyperparameters optimization continually across tasks and exhibit robustness even in the face of varying sequential task orders. We believe that our findings can contribute to the advancement of continual learning methodologies towards more efficient, robust and adaptable models for real-world applications.

cs.LG↗

arXiv2024

I Know How: Combining Prior Policies to Solve New Tasks

Multi-Task Reinforcement Learning aims at developing agents that are able to continually evolve and adapt to new scenarios. However, this goal is challenging to achieve due to the phenomenon of catastrophic forgetting and the high demand of computational resources. Learning from scratch for each new task is not a viable or sustainable option, and thus agents should be able to collect and exploit prior knowledge while facing new problems. While several methodologies have attempted to address the problem from different perspectives, they lack a common structure. In this work, we propose a new framework, I Know How (IKH), which provides a common formalization. Our methodology focuses on modularity and compositionality of knowledge in order to achieve and enhance agent's ability to learn and adapt efficiently to dynamic environments. To support our framework definition, we present a simple application of it in a simulated driving environment and compare its performance with that of state-of-the-art approaches.

cs.LG↗

arXiv2024

Long Range Propagation on Continuous-Time Dynamic Graphs

Learning Continuous-Time Dynamic Graphs (C-TDGs) requires accurately modeling spatio-temporal information on streams of irregularly sampled events. While many methods have been proposed recently, we find that most message passing-, recurrent- or self-attention-based methods perform poorly on long-range tasks. These tasks require correlating information that occurred "far" away from the current event, either spatially (higher-order node information) or along the time dimension (events occurred in the past). To address long-range dependencies, we introduce Continuous-Time Graph Anti-Symmetric Network (CTAN). Grounded within the ordinary differential equations framework, our method is designed for efficient propagation of information. In this paper, we show how CTAN's (i) long-range modeling capabilities are substantiated by theoretical findings and how (ii) its empirical performance on synthetic long-range benchmarks and real-world benchmarks is superior to other methods. Our results motivate CTAN's ability to propagate long-range information in C-TDGs as well as the inclusion of long-range tasks as part of temporal graph models evaluation.

cs.LG↗

arXiv2024

Learning Causal Abstractions of Linear Structural Causal Models

The need for modelling causal knowledge at different levels of granularity arises in several settings. Causal Abstraction provides a framework for formalizing this problem by relating two Structural Causal Models at different levels of detail. Despite increasing interest in applying causal abstraction, e.g. in the interpretability of large machine learning models, the graphical and parametrical conditions under which a causal model can abstract another are not known. Furthermore, learning causal abstractions from data is still an open problem. In this work, we tackle both issues for linear causal models with linear abstraction functions. First, we characterize how the low-level coefficients and the abstraction function determine the high-level coefficients and how the high-level model constrains the causal ordering of low-level variables. Then, we apply our theoretical results to learn high-level and low-level causal models and their abstraction function from observational data. In particular, we introduce Abs-LiNGAM, a method that leverages the constraints induced by the learned high-level model and the abstraction function to speedup the recovery of the larger low-level model, under the assumption of non-Gaussian noise terms. In simulated settings, we show the effectiveness of learning causal abstractions from data and the potential of our method in improving scalability of causal discovery.

cs.LG↗

arXiv2024

Temporal Graph ODEs for Irregularly-Sampled Time Series

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.

cs.LG↗

arXiv2024

MultiSTOP: Solving Functional Equations with Reinforcement Learning

We develop MultiSTOP, a Reinforcement Learning framework for solving functional equations in physics. This new methodology produces actual numerical solutions instead of bounds on them. We extend the original BootSTOP algorithm by adding multiple constraints derived from domain-specific knowledge, even in integral form, to improve the accuracy of the solution. We investigate a particular equation in a one-dimensional Conformal Field Theory.

cs.LG↗