Edward Pearce-Crump

Edward Pearce-Crump

We provide a full characterisation of all of the possible group equivariant neural networks whose layers are some tensor power of $\mathbb{R}^{n}$ for three symmetry groups that are missing from the machine learning literature: $O(n)$, the orthogonal group; $SO(n)$, the special orthogonal group; and $Sp(n)$, the symplectic group. In particular, we find a spanning set of matrices for the learnable, linear, equivariant layer functions between such tensor power spaces in the standard basis of $\mathbb{R}^{n}$ when the group is $O(n)$ or $SO(n)$, and in the symplectic basis of $\mathbb{R}^{n}$ when the group is $Sp(n)$.

Edward Pearce-Crump

Permutation equivariant neural networks are often constructed using tensor powers of $\mathbb{R}^{n}$ as their layer spaces. We show that all of the weight matrices that appear in these neural networks can be obtained from Schur-Weyl duality between the symmetric group and the partition algebra. In particular, we adapt Schur-Weyl duality to derive a simple, diagrammatic method for calculating the weight matrices themselves.

Edward Pearce-Crump

We provide a full characterisation of all of the possible alternating group ($A_n$) equivariant neural networks whose layers are some tensor power of $\mathbb{R}^{n}$. In particular, we find a basis of matrices for the learnable, linear, $A_n$-equivariant layer functions between such tensor power spaces in the standard basis of $\mathbb{R}^{n}$. We also describe how our approach generalises to the construction of neural networks that are equivariant to local symmetries.

Edward Pearce-Crump, William J. Knottenbelt

Permutation equivariant neural networks are typically used to learn from data that lives on a graph. However, for any graph $G$ that has $n$ vertices, using the symmetric group $S_n$ as its group of symmetries does not take into account the relations that exist between the vertices. Given that the actual group of symmetries is the automorphism group Aut$(G)$, we show how to construct neural networks that are equivariant to Aut$(G)$ by obtaining a full characterisation of the learnable, linear, Aut$(G)$-equivariant functions between layers that are some tensor power of $\mathbb{R}^{n}$. In particular, we find a spanning set of matrices for these layer functions in the standard basis of $\mathbb{R}^{n}$. This result has important consequences for learning from data whose group of symmetries is a finite group because a theorem by Frucht (1938) showed that any finite group is isomorphic to the automorphism group of a graph.

Edward Pearce-Crump

We present a novel application of category theory for deep learning. We show how category theory can be used to understand and work with the linear layer functions of group equivariant neural networks whose layers are some tensor power space of $\mathbb{R}^{n}$ for the groups $S_n$, $O(n)$, $Sp(n)$, and $SO(n)$. By using category theoretic constructions, we build a richer structure that is not seen in the original formulation of these neural networks, leading to new insights. In particular, we outline the development of an algorithm for quickly computing the result of a vector that is passed through an equivariant, linear layer for each group in question. The success of our approach suggests that category theory could be beneficial for other areas of deep learning.

Edward Pearce-Crump

The learnable, linear neural network layers between tensor power spaces of $\mathbb{R}^{n}$ that are equivariant to the orthogonal group, $O(n)$, the special orthogonal group, $SO(n)$, and the symplectic group, $Sp(n)$, were characterised in arXiv:2212.08630. We present an algorithm for multiplying a vector by any weight matrix for each of these groups, using category theoretic constructions to implement the procedure. We achieve a significant reduction in computational cost compared with a naive implementation by making use of Kronecker product matrices to perform the multiplication. We show that our approach extends to the symmetric group, $S_n$, recovering the algorithm of arXiv:2303.06208 in the process.

Edward Pearce-Crump

Group equivariant neural networks have proven effective in modelling a wide range of tasks where the data lives in a classical geometric space and exhibits well-defined group symmetries. However, these networks are not suitable for learning from data that lives in a non-commutative geometry, described formally by non-commutative $C^{*}$-algebras, since the $C^{*}$-algebra of continuous functions on a compact matrix group is commutative. To address this limitation, we derive the existence of a new type of equivariant neural network, called compact matrix quantum group equivariant neural networks, which encode symmetries that are described by compact matrix quantum groups. We characterise the weight matrices that appear in these neural networks for the easy compact matrix quantum groups, which are defined by set partitions. As a result, we obtain new characterisations of equivariant weight matrices for some compact matrix groups that have not appeared previously in the machine learning literature.

Edward Pearce-Crump

Incorporating permutation equivariance into neural networks has proven to be useful in ensuring that models respect symmetries that exist in data. Symmetric tensors, which naturally appear in statistics, machine learning, and graph theory, are essential for many applications in physics, chemistry, and materials science, amongst others. However, existing research on permutation equivariant models has not explored symmetric tensors as inputs, and most prior work on learning from these tensors has focused on equivariance to Euclidean groups. In this paper, we present two different characterisations of all linear permutation equivariant functions between symmetric power spaces of $\mathbb{R}^n$. We show on two tasks that these functions are highly data efficient compared to standard MLPs and have potential to generalise well to symmetric tensors of different sizes.

Edward Pearce-Crump, William J. Knottenbelt

Group equivariant neural networks are growing in importance owing to their ability to generalise well in applications where the data has known underlying symmetries. Recent characterisations of a class of these networks that use high-order tensor power spaces as their layers suggest that they have significant potential; however, their implementation remains challenging owing to the prohibitively expensive nature of the computations that are involved. In this work, we present a fast matrix multiplication algorithm for any equivariant weight matrix that maps between tensor power layer spaces in these networks for four groups: the symmetric, orthogonal, special orthogonal, and symplectic groups. We obtain this algorithm by developing a diagrammatic framework based on category theory that enables us to not only express each weight matrix as a linear combination of diagrams but also makes it possible for us to use these diagrams to factor the original computation into a series of steps that are optimal. We show that this algorithm improves the Big-$O$ time complexity exponentially in comparison to a naïve matrix multiplication.