arXiv subjects

Davide Bacciu

Publications and source records attributed to Davide Bacciu.

At least 19 recordsLinked to original sources

arXiv2026

Z-PEFT: Zero-shot Backdoor Detection in Parameter-Efficient Fine-Tuning via Canonical Spectral Signatures

Parameter-Efficient Fine-tuned (PEFT) models are frequently downloaded from open repositories by practitioners. This widespread practice creates a significant attack surface, as malicious actors can publish backdoored models that induce specific behaviors in response to predefined triggers. We study the problem of weight-space backdoor detection, where a detector classifier predicts whether a model is malicious using only its weights, enabling a lightweight safety mechanism. Most existing methods are designed and evaluated in a closed-world setting, where the detector is trained and tested on the same attack type. In contrast, we evaluate backdoor detection under novel conditions, including previously unseen attacks and datasets. We propose Z-PEFT, a lightweight meta-classifier that relies exclusively on layer-wise spectral measures for classification. Our experiments show that strong performance in the closed-world setting does not necessarily translate to high accuracy in zero-shot backdoor detection. Among weight-space detectors, Z-PEFT achieves the best performance while maintaining low and scalable computational cost.

cs.LG↗

arXiv2026

Continual Evolution Strategies in Control Tasks

We study Evolution Strategies (ES) for continual control, where agents must adapt to changing tasks without forgetting previous ones. On sequential MuJoCo locomotion tasks, naive ES suffers from severe catastrophic forgetting. Replay substantially improves retention and can induce positive transfer, while larger replay budgets reduce plasticity. Overall, these results show that ES can support continual adaptation in control and that replay is an effective mechanism for mitigating forgetting.

cs.NE↗

arXiv2026

Graph Hierarchical Recurrence for Long-Range Generalization

Graph Neural Networks (GNNs) and Graph Transformers (GTs) are now a fundamental paradigm for graph learning, combining the representation-learning capabilities of deep models with the sample efficiency induced by their inductive biases. Despite their effectiveness, a large body of work has shown that these models still face fundamental limitations in tasks that require capturing correlations between distant regions of a graph. To address this issue, we introduce Graph Hierarchical Recurrence (GHR), a novel framework that operates jointly on the input graph and on a hierarchical abstraction obtained through pooling. We also show that the limitations of existing models are even more pronounced in out-of-range generalization, where test instances involve interactions over distances longer than those observed during training. By contrast, despite its simple design, GHR provides three key advantages: strong performance on long-range dependencies, improved out-of-range generalization, and high parameter efficiency. To corroborate these claims, we show that across a broad set of long-range benchmarks, GHR consistently outperforms existing graph models while using as little as 1% of the parameters of current state-of-the-art models. These results suggest a complementary direction to the current trend of scaling architectures to obtain graph foundation models, indicating that increased model capacity alone may not be sufficient for generalization.

cs.LG↗

arXiv2026

Random-Set Graph Neural Networks

Uncertainty quantification has become an important factor in understanding the data representations produced by Graph Neural Networks (GNNs). Despite their predictive capabilities being ever useful across industrial workspaces, the inherent uncertainty induced by the nature of the data is a huge mitigating factor to GNN performance. While aleatoric uncertainty is the result of noisy and incomplete stochastic data such as missing edges or over-smoothing, epistemic uncertainty arises from lack of knowledge about a system or model (e.g., a graph's topology or node feature representation), which can be reduced by gathering more data and information. In this paper, we propose an original new framework in which node-level epistemic uncertainty is modelled in a belief function (finite random set) formalism. The resulting Random-Set Graph Neural Networks have a belief-function head predicting a random set over the list of classes, from which both a precise probability prediction and a measure of epistemic uncertainty can be obtained. Extensive experiments on 9 different graph learning datasets, including real-world autonomous driving benchmarks as such Nuscene and ROAD, demonstrate RS-GNN's superior uncertainty quantification capabilities

cs.AI↗

arXiv2026

A Practical Guide to Streaming Continual Learning

Continual Learning (CL) and Streaming Machine Learning (SML) study the ability of agents to learn from a stream of non-stationary data. Despite sharing some similarities, they address different and complementary challenges. While SML focuses on rapid adaptation after changes (concept drifts), CL aims to retain past knowledge when learning new tasks. After a brief introduction to CL and SML, we discuss Streaming Continual Learning (SCL), an emerging paradigm providing a unifying solution to real-world problems, which may require both SML and CL abilities. We claim that SCL can i) connect the CL and SML communities, motivating their work towards the same goal, and ii) foster the design of hybrid approaches that can quickly adapt to new information (as in SML) without forgetting previous knowledge (as in CL). We conclude the paper with a motivating example and a set of experiments, highlighting the need for SCL by showing how CL and SML alone struggle in achieving rapid adaptation and knowledge retention.

cs.LG↗

arXiv2026

Boundary-Constrained Diffusion Models for Floorplan Generation: Balancing Realism and Diversity

Diffusion models have become widely popular for automated floorplan generation, producing highly realistic layouts conditioned on user-defined constraints. However, optimizing for perceptual metrics such as the Fr\'echet Inception Distance (FID) causes limited design diversity. To address this, we propose the Diversity Score (DS), a metric that quantifies layout diversity under fixed constraints. Moreover, to improve geometric consistency, we introduce a Boundary Cross-Attention (BCA) module that enables conditioning on building boundaries. Our experiments show that BCA significantly improves boundary adherence, while prolonged training drives diversity collapse undiagnosed by FID, revealing a critical trade-off between realism and diversity. Out-Of-Distribution evaluations further demonstrate the models' reliance on dataset priors, emphasizing the need for generative systems that explicitly balance fidelity, diversity, and generalization in architectural design tasks.

cs.LG↗

arXiv2025

Can You Hear Me Now? A Benchmark for Long-Range Graph Propagation

Effectively capturing long-range interactions remains a fundamental yet unresolved challenge in graph neural network (GNN) research, critical for applications across diverse fields of science. To systematically address this, we introduce ECHO (Evaluating Communication over long HOps), a novel benchmark specifically designed to rigorously assess the capabilities of GNNs in handling very long-range graph propagation. ECHO includes three synthetic graph tasks, namely single-source shortest paths, node eccentricity, and graph diameter, each constructed over diverse and structurally challenging topologies intentionally designed to introduce significant information bottlenecks. ECHO also includes two real-world datasets, ECHO-Charge and ECHO-Energy, which define chemically grounded benchmarks for predicting atomic partial charges and molecular total energies, respectively, with reference computations obtained at the density functional theory (DFT) level. Both tasks inherently depend on capturing complex long-range molecular interactions. Our extensive benchmarking of popular GNN architectures reveals clear performance gaps, emphasizing the difficulty of true long-range propagation and highlighting design choices capable of overcoming inherent limitations. ECHO thereby sets a new standard for evaluating long-range information propagation, also providing a compelling example for its need in AI for science.

cs.LG↗

arXiv2025

Credal Graph Neural Networks

Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks (CGNNs), which extend credal learning to the graph domain by training GNNs to output set-valued predictions in the form of credal sets. To account for the distinctive nature of message passing in GNNs, we develop a complementary approach to credal learning that leverages different aspects of layer-wise information propagation. We assess our approach on uncertainty quantification in node classification under out-of-distribution conditions. Our analysis highlights the critical role of the graph homophily assumption in shaping the effectiveness of uncertainty estimates. Extensive experiments demonstrate that CGNNs deliver more reliable representations of epistemic uncertainty and achieve state-of-the-art performance under distributional shift on heterophilic graphs.

cs.LG↗

arXiv2025

Improving Long-Range Interactions in Graph Neural Simulators via Hamiltonian Dynamics

Learning to simulate complex physical systems from data has emerged as a promising way to overcome the limitations of traditional numerical solvers, which often require prohibitive computational costs for high-fidelity solutions. Recent Graph Neural Simulators (GNSs) accelerate simulations by learning dynamics on graph-structured data, yet often struggle to capture long-range interactions and suffer from error accumulation under autoregressive rollouts. To address these challenges, we propose Information-preserving Graph Neural Simulators (IGNS), a graph-based neural simulator built on the principles of Hamiltonian dynamics. This structure guarantees preservation of information across the graph, while extending to port-Hamiltonian systems allows the model to capture a broader class of dynamics, including non-conservative effects. IGNS further incorporates a warmup phase to initialize global context, geometric encoding to handle irregular meshes, and a multi-step training objective that facilitates PDE matching, where the trajectory produced by integrating the port-Hamiltonian core aligns with the ground-truth trajectory, thereby reducing rollout error. To evaluate these properties systematically, we introduce new benchmarks that target long-range dependencies and challenging external forcing scenarios. Across all tasks, IGNS consistently outperforms state-of-the-art GNSs, achieving higher accuracy and stability under challenging and complex dynamical systems. Our project page: https://thobotics.github.io/neural_pde_matching.

cs.LG↗

arXiv2025

Non-Dissipative Graph Propagation for Non-Local Community Detection

Community detection in graphs aims to cluster nodes into meaningful groups, a task particularly challenging in heterophilic graphs, where nodes sharing similarities and membership to the same community are typically distantly connected. This is particularly evident when this task is tackled by graph neural networks, since they rely on an inherently local message passing scheme to learn the node representations that serve to cluster nodes into communities. In this work, we argue that the ability to propagate long-range information during message passing is key to effectively perform community detection in heterophilic graphs. To this end, we introduce the Unsupervised Antisymmetric Graph Neural Network (uAGNN), a novel unsupervised community detection approach leveraging non-dissipative dynamical systems to ensure stability and to propagate long-range information effectively. By employing antisymmetric weight matrices, uAGNN captures both local and global graph structures, overcoming the limitations posed by heterophilic scenarios. Extensive experiments across ten datasets demonstrate uAGNN's superior performance in high and medium heterophilic settings, where traditional methods fail to exploit long-range dependencies. These results highlight uAGNN's potential as a powerful tool for unsupervised community detection in diverse graph environments.

cs.SI↗

arXiv2025

FAST: Similarity-based Knowledge Transfer for Efficient Policy Learning

Transfer Learning (TL) offers the potential to accelerate learning by transferring knowledge across tasks. However, it faces critical challenges such as negative transfer, domain adaptation and inefficiency in selecting solid source policies. These issues often represent critical problems in evolving domains, i.e. game development, where scenarios transform and agents must adapt. The continuous release of new agents is costly and inefficient. In this work we challenge the key issues in TL to improve knowledge transfer, agents performance across tasks and reduce computational costs. The proposed methodology, called FAST - Framework for Adaptive Similarity-based Transfer, leverages visual frames and textual descriptions to create a latent representation of tasks dynamics, that is exploited to estimate similarity between environments. The similarity scores guides our method in choosing candidate policies from which transfer abilities to simplify learning of novel tasks. Experimental results, over multiple racing tracks, demonstrate that FAST achieves competitive final performance compared to learning-from-scratch methods while requiring significantly less training steps. These findings highlight the potential of embedding-driven task similarity estimations.

cs.LG↗

arXiv2025

HEIMDALL: a grapH-based sEIsMic Detector And Locator for microseismicity

In this work, we present a new deep-learning model for microseismicity monitoring that utilizes continuous spatiotemporal relationships between seismic station recordings, forming an end-to-end pipeline for seismic catalog creation. It employs graph theory and state-of-the-art graph neural network architectures to perform phase picking, association, and event location simultaneously over rolling windows, making it suitable for both playback and near-real-time monitoring. As part of the global strategy to reduce carbon emissions within the broader context of a green-energy transition, there has been growing interest in exploiting enhanced geothermal systems. Tested in the complex geothermal area of Iceland's Hengill region using open-access data from a temporary experiment, our model was trained and validated using both manually revised and automatic seismic catalogs. Results showed a significant increase in event detection compared to previously published automatic systems and reference catalogs, including a $4 M_w$ seismic sequence in December 2018 and a single-day sequence in February 2019. Our method reduces false events, minimizes manual oversight, and decreases the need for extensive tuning of pipelines or transfer learning of deep-learning models. Overall, it validates a robust monitoring tool for geothermal seismic regions, complementing existing systems and enhancing operational risk mitigation during geothermal energy exploitation.

physics.geo-ph↗

arXiv2025

Combining Pre-Trained Models for Enhanced Feature Representation in Reinforcement Learning

The recent focus and release of pre-trained models have been a key components to several advancements in many fields (e.g. Natural Language Processing and Computer Vision), as a matter of fact, pre-trained models learn disparate latent embeddings sharing insightful representations. On the other hand, Reinforcement Learning (RL) focuses on maximizing the cumulative reward obtained via agent's interaction with the environment. RL agents do not have any prior knowledge about the world, and they either learn from scratch an end-to-end mapping between the observation and action spaces or, in more recent works, are paired with monolithic and computationally expensive Foundational Models. How to effectively combine and leverage the hidden information of different pre-trained models simultaneously in RL is still an open and understudied question. In this work, we propose Weight Sharing Attention (WSA), a new architecture to combine embeddings of multiple pre-trained models to shape an enriched state representation, balancing the tradeoff between efficiency and performance. We run an extensive comparison between several combination modes showing that WSA obtains comparable performance on multiple Atari games compared to end-to-end models. Furthermore, we study the generalization capabilities of this approach and analyze how scaling the number of models influences agents' performance during and after training.

cs.LG↗

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

Return of ChebNet: Understanding and Improving an Overlooked GNN on Long Range Tasks

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

cs.LG↗

arXiv2025

Graph Diffusion that can Insert and Delete

Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments. However, existing formulations are fundamentally limited by their inability to adapt the graph size (that is, the number of atoms) during the diffusion process, severely restricting their effectiveness in conditional generation scenarios such as property-driven molecular design, where the targeted property often correlates with the molecular size. In this paper, we reformulate the noising and denoising processes to support monotonic insertion and deletion of nodes. The resulting model, which we call GrIDDD, dynamically grows or shrinks the chemical graph during generation. GrIDDD matches or exceeds the performance of existing graph diffusion models on molecular property targeting despite being trained on a more difficult problem. Furthermore, when applied to molecular optimization, GrIDDD exhibits competitive performance compared to specialized optimization models. This work paves the way for size-adaptive molecular generation with graph diffusion.

cs.LG↗

arXiv2025

Message-Passing State-Space Models: Improving Graph Learning with Modern Sequence Modeling

The recent success of State-Space Models (SSMs) in sequence modeling has motivated their adaptation to graph learning, giving rise to Graph State-Space Models (GSSMs). However, existing GSSMs operate by applying SSM modules to sequences extracted from graphs, often compromising core properties such as permutation equivariance, message-passing compatibility, and computational efficiency. In this paper, we introduce a new perspective by embedding the key principles of modern SSM computation directly into the Message-Passing Neural Network framework, resulting in a unified methodology for both static and temporal graphs. Our approach, MP-SSM, enables efficient, permutation-equivariant, and long-range information propagation while preserving the architectural simplicity of message passing. Crucially, MP-SSM enables an exact sensitivity analysis, which we use to theoretically characterize information flow and evaluate issues like vanishing gradients and over-squashing in the deep regime. Furthermore, our design choices allow for a highly optimized parallel implementation akin to modern SSMs. We validate MP-SSM across a wide range of tasks, including node classification, graph property prediction, long-range benchmarks, and spatiotemporal forecasting, demonstrating both its versatility and strong empirical performance.

cs.LG↗