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Aug 12

On the Stability of Expressive Positional Encodings for Graph Neural Networks

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) Non-uniqueness: there are many different eigendecompositions of the same Laplacian, and (2) Instability: small perturbations to the Laplacian could result in completely different eigenspaces, leading to unpredictable changes in positional encoding. Despite many attempts to address non-uniqueness, most methods overlook stability, leading to poor generalization on unseen graph structures. We identify the cause of instability to be a "hard partition" of eigenspaces. Hence, we introduce Stable and Expressive Positional Encodings (SPE), an architecture for processing eigenvectors that uses eigenvalues to "softly partition" eigenspaces. SPE is the first architecture that is (1) provably stable, and (2) universally expressive for basis invariant functions whilst respecting all symmetries of eigenvectors. Besides guaranteed stability, we prove that SPE is at least as expressive as existing methods, and highly capable of counting graph structures. Finally, we evaluate the effectiveness of our method on molecular property prediction, and out-of-distribution generalization tasks, finding improved generalization compared to existing positional encoding methods.

  • 7 authors
·
Oct 4, 2023

If LLMs Have Human-Like Attributes, Then So Does Age of Empires II

Much research has been carried out on large language models (LLMs) and LLM-powered agentic workflows. However, many works within the field state emergence of, ascribe to, or assume, generalised anthropomorphic attributes to them (e.g., morality or understanding of natural language). Our goal is not to argue in favour or against the existence of these attributes, but to point out that these conclusions could be incorrect. For this we build and train a simple neural network on the videogame Age of Empires II, and note that any entity in a sufficiently-powerful substrate, such as LEGO or the Greater Boston Area, could also present such attributes. Hence, the purported anthropomorphic attributes of LLMs are empirically non-unique: although some properties (e.g., responses to prompts) could remain invariant, others, such as the interpretation of their perceived behaviour, might change with the substrate. Thus, any empirically-grounded discussion on these attributes requires explicit measurement criteria; otherwise the interpretation is left to the representation. We then show that assuming that these attributes exist or not in a system, independent of the substrate and in a generalised way, leads to either circular or uninformative conclusions. This is regardless of the experimenter's viewpoint on the subject, or whether the outcome shows existence or non-existence. Finally we propose a 'null' assumption, where one assumes LLM non-uniqueness instead of assuming anthropomorphic attributes to set up an experiment, along with examples of it. We also discuss potential objections to our work, briefly survey the field, and prove that Age of Empires II is functionally- and Turing-complete.

  • 1 authors
·
Jun 10