Ben Finkelshtein

Ben Finkelshtein, Chaim Baskin, Haggai Maron et al. · nvidia

Equivariance to permutations and rigid motions is an important inductive bias for various 3D learning problems. Recently it has been shown that the equivariant Tensor Field Network architecture is universal -- it can approximate any equivariant function. In this paper we suggest a much simpler architecture, prove that it enjoys the same universality guarantees and evaluate its performance on Modelnet40. The code to reproduce our experiments is available at \url{https://github.com/simpleinvariance/UniversalNetwork}

Ben Finkelshtein, Xingyue Huang, Michael Bronstein et al.

Graph neural networks are popular architectures for graph machine learning, based on iterative computation of node representations of an input graph through a series of invariant transformations. A large class of graph neural networks follow a standard message-passing paradigm: at every layer, each node state is updated based on an aggregate of messages from its neighborhood. In this work, we propose a novel framework for training graph neural networks, where every node is viewed as a player that can choose to either 'listen', 'broadcast', 'listen and broadcast', or to 'isolate'. The standard message propagation scheme can then be viewed as a special case of this framework where every node 'listens and broadcasts' to all neighbors. Our approach offers a more flexible and dynamic message-passing paradigm, where each node can determine its own strategy based on their state, effectively exploring the graph topology while learning. We provide a theoretical analysis of the new message-passing scheme which is further supported by an extensive empirical analysis on a synthetic dataset and on real-world datasets.

Timo Stoll, Chendi Qian, Ben Finkelshtein et al.

Machine learning on graphs has recently achieved impressive progress in various domains, including molecular property prediction and chip design. However, benchmarking practices remain fragmented, often relying on narrow, task-specific datasets and inconsistent evaluation protocols, which hampers reproducibility and broader progress. To address this, we introduce GraphBench, a comprehensive benchmarking suite that spans diverse domains and prediction tasks, including node-level, edge-level, graph-level, and generative settings. GraphBench provides standardized evaluation protocols -- with consistent dataset splits and performance metrics that account for out-of-distribution generalization -- as well as a unified hyperparameter tuning framework. Additionally, we benchmark GraphBench using message-passing neural networks and graph transformer models, providing principled baselines and establishing a reference performance. See www.graphbench.io for further details.

Itay Eilat, Ben Finkelshtein, Chaim Baskin et al.

Strategic classification studies learning in settings where users can modify their features to obtain favorable predictions. Most current works focus on simple classifiers that trigger independent user responses. Here we examine the implications of learning with more elaborate models that break the independence assumption. Motivated by the idea that applications of strategic classification are often social in nature, we focus on \emph{graph neural networks}, which make use of social relations between users to improve predictions. Using a graph for learning introduces inter-user dependencies in prediction; our key point is that strategic users can exploit these to promote their goals. As we show through analysis and simulation, this can work either against the system -- or for it. Based on this, we propose a differentiable framework for strategically-robust learning of graph-based classifiers. Experiments on several real networked datasets demonstrate the utility of our approach.

Ben Finkelshtein, Chaim Baskin, Evgenii Zheltonozhskii et al.

Graph neural networks (GNNs) have shown broad applicability in a variety of domains. These domains, e.g., social networks and product recommendations, are fertile ground for malicious users and behavior. In this paper, we show that GNNs are vulnerable to the extremely limited (and thus quite realistic) scenarios of a single-node adversarial attack, where the perturbed node cannot be chosen by the attacker. That is, an attacker can force the GNN to classify any target node to a chosen label, by only slightly perturbing the features or the neighbor list of another single arbitrary node in the graph, even when not being able to select that specific attacker node. When the adversary is allowed to select the attacker node, these attacks are even more effective. We demonstrate empirically that our attack is effective across various common GNN types (e.g., GCN, GraphSAGE, GAT, GIN) and robustly optimized GNNs (e.g., Robust GCN, SM GCN, GAL, LAT-GCN), outperforming previous attacks across different real-world datasets both in a targeted and non-targeted attacks. Our code is available at https://github.com/benfinkelshtein/SINGLE .

Maya Bechler-Speicher, Ben Finkelshtein, Fabrizio Frasca et al. · deepmind

While machine learning on graphs has demonstrated promise in drug design and molecular property prediction, significant benchmarking challenges hinder its further progress and relevance. Current benchmarking practices often lack focus on transformative, real-world applications, favoring narrow domains like two-dimensional molecular graphs over broader, impactful areas such as combinatorial optimization, relational databases, or chip design. Additionally, many benchmark datasets poorly represent the underlying data, leading to inadequate abstractions and misaligned use cases. Fragmented evaluations and an excessive focus on accuracy further exacerbate these issues, incentivizing overfitting rather than fostering generalizable insights. These limitations have prevented the development of truly useful graph foundation models. This position paper calls for a paradigm shift toward more meaningful benchmarks, rigorous evaluation protocols, and stronger collaboration with domain experts to drive impactful and reliable advances in graph learning research, unlocking the potential of graph learning.

Ben Finkelshtein, İsmail İlkan Ceylan, Michael Bronstein et al.

Graph machine learning architectures are typically tailored to specific tasks on specific datasets, which hinders their broader applicability. This has led to a new quest in graph machine learning: how to build graph foundation models capable of generalizing across arbitrary graphs and features? In this work, we present a recipe for designing graph foundation models for node-level tasks from first principles. The key ingredient underpinning our study is a systematic investigation of the symmetries that a graph foundation model must respect. In a nutshell, we argue that label permutation-equivariance alongside feature permutation-invariance are necessary in addition to the common node permutation-equivariance on each local neighborhood of the graph. To this end, we first characterize the space of linear transformations that are equivariant to permutations of nodes and labels, and invariant to permutations of features. We then prove that the resulting network is a universal approximator on multisets that respect the aforementioned symmetries. Our recipe uses such layers on the multiset of features induced by the local neighborhood of the graph to obtain a class of graph foundation models for node property prediction. We validate our approach through extensive experiments on 29 real-world node classification datasets, demonstrating both strong zero-shot empirical performance and consistent improvement as the number of training graphs increases.

Sam Adam-Day, Michael Benedikt, İsmail İlkan Ceylan et al.

We present a new angle on the expressive power of graph neural networks (GNNs) by studying how the predictions of real-valued GNN classifiers, such as those classifying graphs probabilistically, evolve as we apply them on larger graphs drawn from some random graph model. We show that the output converges to a constant function, which upper-bounds what these classifiers can uniformly express. This strong convergence phenomenon applies to a very wide class of GNNs, including state of the art models, with aggregates including mean and the attention-based mechanism of graph transformers. Our results apply to a broad class of random graph models, including sparse and dense variants of the Erdős-Rényi model, the stochastic block model, and the Barabási-Albert model. We empirically validate these findings, observing that the convergence phenomenon appears not only on random graphs but also on some real-world graphs.

Antonis Vasileiou, Ben Finkelshtein, Floris Geerts et al.

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.

Adrian Hayler, Xingyue Huang, İsmail İlkan Ceylan et al.

Graph foundation models (GFMs) have recently emerged as a promising paradigm for achieving broad generalization across various graph data. However, existing GFMs are often trained on datasets that may not fully reflect real-world graphs, limiting their generalization performance. In contrast, tabular foundation models (TFMs) not only excel at classical tabular prediction tasks but have also shown strong applicability in other domains such as time series forecasting, natural language processing, and computer vision. Motivated by this, we take an alternative view to the standard perspective of GFMs and reformulate node classification as a tabular problem. In this reformulation, each node is represented as a row with feature, structure, and label information as columns, enabling TFMs to directly perform zero-shot node classification via in-context learning. In this work, we introduce TAG, a tabular approach for graph learning that first converts a graph into a table via feature and structural encoders, applies multiple TFMs to diversely subsampled tables, and then aggregates their outputs through ensemble selection. Experiments on 28 real-world datasets demonstrate that TAG consistently improves upon task-specific GNNs and state-of-the-art GFMs, highlighting the potential of the tabular reformulation for scalable and generalizable graph learning.

Ben Finkelshtein, Silviu Cucerzan, Sujay Kumar Jauhar et al. · microsoft-research

Large language models (LLMs) are increasingly used for text-rich graph machine learning tasks such as node classification in high-impact domains like fraud detection and recommendation systems. Yet, despite a surge of interest, the field lacks a principled understanding of the capabilities of LLMs in their interaction with graph data. In this work, we conduct a large-scale, controlled evaluation across several key axes of variability to systematically assess the strengths and weaknesses of LLM-based graph reasoning methods in text-based applications. The axes include the LLM-graph interaction mode, comparing prompting, tool-use, and code generation; dataset domains, spanning citation, web-link, e-commerce, and social networks; structural regimes contrasting homophilic and heterophilic graphs; feature characteristics involving both short- and long-text node attributes; and model configurations with varying LLM sizes and reasoning capabilities. We further analyze dependencies by methodically truncating features, deleting edges, and removing labels to quantify reliance on input types. Our findings provide practical and actionable guidance. (1) LLMs as code generators achieve the strongest overall performance on graph data, with especially large gains on long-text or high-degree graphs where prompting quickly exceeds the token budget. (2) All interaction strategies remain effective on heterophilic graphs, challenging the assumption that LLM-based methods collapse under low homophily. (3) Code generation is able to flexibly adapt its reliance between structure, features, or labels to leverage the most informative input type. Together, these findings provide a comprehensive view of the strengths and limitations of current LLM-graph interaction modes and highlight key design principles for future approaches.

Jonathan Kouchly, Ben Finkelshtein, Michael Bronstein et al.

Learning on large graphs presents significant challenges, with traditional Message Passing Neural Networks suffering from computational and memory costs scaling linearly with the number of edges. We introduce the Intersecting Block Graph (IBG), a low-rank factorization of large directed graphs based on combinations of intersecting bipartite components, each consisting of a pair of communities, for source and target nodes. By giving less weight to non-edges, we show how to efficiently approximate any graph, sparse or dense, by a dense IBG. Specifically, we prove a constructive version of the weak regularity lemma, showing that for any chosen accuracy, every graph, regardless of its size or sparsity, can be approximated by a dense IBG whose rank depends only on the accuracy. This dependence of the rank solely on the accuracy, and not on the sparsity level, is in contrast to previous forms of the weak regularity lemma. We present a graph neural network architecture operating on the IBG representation of the graph and demonstrating competitive performance on node classification, spatio-temporal graph analysis, and knowledge graph completion, while having memory and computational complexity linear in the number of nodes rather than edges.