Abstract:We prove that, on finite simple undirected graphs equipped with a single Boolean node feature, the Boolean queries expressible in $Σ$-MPLang, for any collection $Σ$ of eventually constant activation functions and with arbitrary real coefficients, form a strict subclass of the Boolean queries expressible in ReLU-MPLang. We thereby settle a recently posed open problem: whether ReLU-MPLang is more powerful than trReLU-MPLang when it comes to Boolean queries. In particular, this implies that ReLU-GNNs are strictly more expressive than {TrReLU,id}-GNNs with respect to Boolean queries on Boolean-featured graphs.
Abstract:Graph learning presupposes a graph, and tables and relational databases do not come with one. Applying a GNN to them requires deciding which entities become nodes, which of them to connect, and through which relations---a decision made by hand, by schema heuristics, or by training a model on every candidate graph and keeping the best. We give a criterion that requires no trained graph model. In the minimal table-to-graph abstraction each row is a node, so a message-passing GNN, bounded by 1-WL, sees a construction only as a partition of the rows into colour-refinement classes: a construction is good for a task when that partition separates rows with different labels and does not split rows that share one. AutoGrable turns this criterion into a construction procedure. For incidence constructions the partition is fixed by the selected columns, so building a graph reduces to choosing them, and we score a candidate subset by a label-alignment risk: the held-out risk of the best predictor constant on its blocks, penalised by an occupancy term measuring how thinly the blocks are populated. The score materialises no graph and trains no GNN, so AutoGrable can search the space of subsets greedily and cheaply, and returns the resulting grable for single tables and for foreign-key schemas alike. Our experiments show that over a space of candidate graphs the score discards a large fraction while retaining the best; that AutoGrable recovers the columns that generate the label on controlled tasks and outperforms fixed, random, and task-aware constructors on real tasks under a fixed predictor; and that it is the only method compared that can decline to build a graph when none helps.
Abstract:We introduce GRAB, a constructor-encoder-bridge pipeline for table question answering. Our method lifts relational data into an heterogeneous graph, encodes it via message passing, and transfers the signals to an LLM through a small set of query-conditioned latent tokens. This provides the LLM with a compact, task-relevant structural representation together with the flattened text. Crucially, the LLM remains strictly frozen to preserve its general reasoning capabilities; we train only the lightweight graph encoder and latent bridge (91M parameters), allowing the entire pipeline to be trained efficiently. Our pipeline significantly improves performance on relational Question Answering, with the largest gains in demanding multi-table settings, offering an efficient, principled way to connect relational deep learning with LLMs.
Abstract:In recent years, there has been growing interest in understanding neural architectures' ability to learn to execute discrete algorithms, a line of work often referred to as neural algorithmic reasoning. The goal is to integrate algorithmic reasoning capabilities into larger neural pipelines. Many such architectures are based on (message-passing) graph neural networks (MPNNs), owing to their permutation equivariance and ability to deal with sparsity and variable-sized inputs. However, existing work is either largely empirical and lacks formal guarantees or it focuses solely on expressivity, leaving open the question of when and how such architectures generalize beyond a finite training set. In this work, we propose a general theoretical framework that characterizes the sufficient conditions under which MPNNs can learn an algorithm from a training set of small instances and provably approximate its behavior on inputs of arbitrary size. Our framework applies to a broad class of algorithms, including single-source shortest paths, minimum spanning trees, and general dynamic programming problems, such as the $0$-$1$ knapsack problem. In addition, we establish impossibility results for a wide range of algorithmic tasks, showing that standard MPNNs cannot learn them, and we derive more expressive MPNN-like architectures that overcome these limitations. Finally, we refine our analysis for the Bellman-Ford algorithm, yielding a substantially smaller required training set and significantly extending the recent work of Nerem et al. [2025] by allowing for a differentiable regularization loss. Empirical results largely support our theoretical findings.
Abstract:Tabular learning is still dominated by row-wise predictors that score each row independently, which fits i.i.d. benchmarks but fails on transactional, temporal, and relational tables where labels depend on other rows. We show that row-wise prediction rules out natural targets driven by global counts, overlaps, and relational patterns. To make "using structure" precise across architectures, we introduce grables: a modular interface that separates how a table is lifted to a graph (constructor) from how predictions are computed on that graph (node predictor), pinpointing where expressive power comes from. Experiments on synthetic tasks, transaction data, and a RelBench clinical-trials dataset confirm the predicted separations: message passing captures inter-row dependencies that row-local models miss, and hybrid approaches that explicitly extract inter-row structure and feed it to strong tabular learners yield consistent gains.
Abstract:We study the numerical and Boolean expressiveness of MPLang, a declarative language that captures the computation of graph neural networks (GNNs) through linear message passing and activation functions. We begin with A-MPLang, the fragment without activation functions, and give a characterization of its expressive power in terms of walk-summed features. For bounded activation functions, we show that (under mild conditions) all eventually constant activations yield the same expressive power - numerical and Boolean - and that it subsumes previously established logics for GNNs with eventually constant activation functions but without linear layers. Finally, we prove the first expressive separation between unbounded and bounded activations in the presence of linear layers: MPLang with ReLU is strictly more powerful for numerical queries than MPLang with eventually constant activation functions, e.g., truncated ReLU. This hinges on subtle interactions between linear aggregation and eventually constant non-linearities, and it establishes that GNNs using ReLU are more expressive than those restricted to eventually constant activations and linear layers.
Abstract:Neurosymbolic AI (NeSy) aims to integrate the statistical strengths of neural networks with the interpretability and structure of symbolic reasoning. However, current NeSy frameworks like DeepProbLog enforce a fixed flow where symbolic reasoning always follows neural processing. This restricts their ability to model complex dependencies, especially in irregular data structures such as graphs. In this work, we introduce DeepGraphLog, a novel NeSy framework that extends ProbLog with Graph Neural Predicates. DeepGraphLog enables multi-layer neural-symbolic reasoning, allowing neural and symbolic components to be layered in arbitrary order. In contrast to DeepProbLog, which cannot handle symbolic reasoning via neural methods, DeepGraphLog treats symbolic representations as graphs, enabling them to be processed by Graph Neural Networks (GNNs). We showcase the capabilities of DeepGraphLog on tasks in planning, knowledge graph completion with distant supervision, and GNN expressivity. Our results demonstrate that DeepGraphLog effectively captures complex relational dependencies, overcoming key limitations of existing NeSy systems. By broadening the applicability of neurosymbolic AI to graph-structured domains, DeepGraphLog offers a more expressive and flexible framework for neural-symbolic integration.
Abstract:The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful predictions beyond the training set -- remain less explored. Current generalization analyses often overlook graph structure, limit the focus to specific aggregation functions, and assume the impractical, hard-to-optimize $0$-$1$ loss function. Here, we extend recent advances in graph similarity theory to assess the influence of graph structure, aggregation, and loss functions on MPNNs' generalization abilities. Our empirical study supports our theoretical insights, improving our understanding of MPNNs' generalization properties.
Abstract:Expressivity and generalization are two critical aspects of graph neural networks (GNNs). While significant progress has been made in studying the expressivity of GNNs, much less is known about their generalization capabilities, particularly when dealing with the inherent complexity of graph-structured data. In this work, we address the intricate relationship between expressivity and generalization in GNNs. Theoretical studies conjecture a trade-off between the two: highly expressive models risk overfitting, while those focused on generalization may sacrifice expressivity. However, empirical evidence often contradicts this assumption, with expressive GNNs frequently demonstrating strong generalization. We explore this contradiction by introducing a novel framework that connects GNN generalization to the variance in graph structures they can capture. This leads us to propose a $k$-variance margin-based generalization bound that characterizes the structural properties of graph embeddings in terms of their upper-bounded expressive power. Our analysis does not rely on specific GNN architectures, making it broadly applicable across GNN models. We further uncover a trade-off between intra-class concentration and inter-class separation, both of which are crucial for effective generalization. Through case studies and experiments on real-world datasets, we demonstrate that our theoretical findings align with empirical results, offering a deeper understanding of how expressivity can enhance GNN generalization.

Abstract:Graph Neural Networks (GNNs) have become an essential tool for analyzing graph-structured data, leveraging their ability to capture complex relational information. While the expressivity of GNNs, particularly their equivalence to the Weisfeiler-Leman (1-WL) isomorphism test, has been well-documented, understanding their generalization capabilities remains critical. This paper focuses on the generalization of GNNs by investigating their Vapnik-Chervonenkis (VC) dimension. We extend previous results to demonstrate that 1-dimensional GNNs with a single parameter have an infinite VC dimension for unbounded graphs. Furthermore, we show that this also holds for GNNs using analytic non-polynomial activation functions, including the 1-dimensional GNNs that were recently shown to be as expressive as the 1-WL test. These results suggest inherent limitations in the generalization ability of even the most simple GNNs, when viewed from the VC dimension perspective.