29 accepted papers
Modeling graphs demands a careful balance between long-range propagation of information across nodes and the controlled dissipation of noisy or redundant signals to ensure stable learning and generalization. This challenge is exacerbated in dynamic graphs, where structural and temporal information i…
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 benchm…
Real-world phenomena typically involve multiple, interwoven dynamics that can be elegantly captured by systems of Partial Differential Equations (PDEs). However, accurately solving such systems remains a challenge. In this paper, we introduce ComPhy (CP), a novel modular framework designed to leve…
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 learni…
Concept Bottleneck Models (CBMs) are interpretable machine learning models that ground 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 n…
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. Buildi…
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 thei…
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 persp…
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 informat…
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 dep…
Capturing effective long-range information propagation remains a fundamental yet challenging problem in graph representation learning. Motivated by this, we introduce SONAR, a novel GNN architecture inspired by the dynamics of wave propagation in continuous media. SONAR models information flow on gr…
The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize an optimization problem with a continuous relaxation of the acyclicity property. The computational…
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 abstracti…
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-r…
We introduce the Random Oscillators Network (RON), a physically-inspired recurrent model derived from a network of heterogeneous oscillators. Unlike traditional recurrent neural networks, RON keeps the connections between oscillators untrained by leveraging on smart random initialisations, leading t…
Modern Neural Machine Translation systems exhibit strong performance in several different languages and are constantly improving. Their ability to learn continuously is, however, still severely limited by the catastrophic forgetting issue. In this work, we leverage a key property of encoder-decoder…
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, w…
Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in their ability to propagate and preserve long-term dependencies b…
Neural Algorithmic Reasoning is an emerging area of machine learning which seeks to infuse algorithmic computation in neural networks, typically by training neural models to approximate steps of classical algorithms. In this context, much of the current work has focused on learning reachability and…
Downsampling produces coarsened, multi-resolution representations of data and it is used, for example, to produce lossy compression and visualization of large images, reduce computational costs, and boost deep neural representation learning. Unfortunately, due to their lack of a regular structure,…
Graphs can be leveraged to model polyphonic multitrack symbolic music, where notes, chords and entire sections may be linked at different levels of the musical hierarchy by tonal and rhythmic relationships. Nonetheless, there is a lack of works that consider graph representations in the context of d…
Data-driven approaches and human inspiration are fundamental to endow robotic manipulators with advanced autonomous grasping capabilities. However, to capitalize upon these two pillars, several aspects need to be considered, which include the number of human examples used for training; the need for
The Contextual Graph Markov Model (CGMM) is a deep, unsupervised, and probabilistic model for graphs that is trained incrementally on a layer-by-layer basis. As with most Deep Graph Networks, an inherent limitation is the need to perform an extensive model selection to choose the proper size of each…
We introduce the Graph Mixture Density Networks, a new family of machine learning models that can fit multimodal output distributions conditioned on graphs of arbitrary topology. By combining ideas from mixture models and graph representation learning, we address a broader class of challenging condi…
Molecule generation is a challenging open problem in cheminformatics. Currently, deep generative approaches addressing the challenge belong to two broad categories, differing in how molecules are represented. One approach encodes molecular graphs as strings of text, and learns their corresponding ch…
Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation learning field has attracted the attention of a wide research…
Processing sentence constituency trees in binarised form is a common and popular approach in literature. However, constituency trees are non-binary by nature. The binarisation procedure changes deeply the structure, furthering constituents that instead are close. In this work, we introduce a new app…
Soft hands are robotic systems that embed compliant elements in their mechanical design. This enables an effective adaptation with the items and the environment, and ultimately, an increase in their grasping performance. These hands come with clear advantages in terms of ease-to-use and robustness i
We introduce the Contextual Graph Markov Model, an approach combining ideas from generative models and neural networks for the processing of graph data. It founds on a constructive methodology to build a deep architecture comprising layers of probabilistic models that learn to encode the structured…