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.

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 to reduce 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.

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.

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.

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.

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.

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.

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.

Learning and Transferring Physical Models through Derivatives

We propose Derivative Learning (DERL), a supervised approach that models physical systems by learning their partial derivatives. We also leverage DERL to build physical models incrementally, by designing a distillation protocol that effectively transfers knowledge from a pre-trained to a student model. We provide theoretical guarantees that our approach can learn the true physical system, being consistent with the underlying physical laws, even when using empirical derivatives. DERL outperforms state-of-the-art methods in generalizing an ODE to unseen initial conditions and a parametric PDE to unseen parameters. We finally propose a method based on DERL to transfer physical knowledge across models by extending them to new portions of the physical domain and new range of PDE parameters. We believe this is the first attempt at building physical models incrementally in multiple stages.

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.