# discovering_group_structures_via_unitary_representation_learning__841eb291.pdf Published as a conference paper at ICLR 2025 DISCOVERING GROUP STRUCTURES VIA UNITARY REPRESENTATION LEARNING Dongsung Huh IBM Research huh@ibm.com Discovering group structures within data poses a fundamental challenge across diverse scientific domains. A key obstacle is the non-differentiable nature of group axioms, hindering their integration into deep learning frameworks. To address this, we introduce a novel differentiable approach leveraging the representation theory of finite groups. Our method features a unique network architecture that models interactions between group elements via matrix multiplication of their representations, along with a regularizer promoting the unitarity of these representations. The interplay between the network architecture and the unitarity condition implicitly encourages the emergence of valid group structures. Evaluations demonstrate our method s ability to accurately recover group operations and their unitary representations from partial observations, achieving significant improvements in sample efficiency and a 1000 speedup over the state of the art. This work lays the foundation for a promising new paradigm in automated algebraic structure discovery, with potential applications across various domains, including automatic symmetry discovery for geometric deep learning. 1 INTRODUCTION Identifying algebraic structures, particularly groups, has been a cornerstone of progress across diverse scientific fields. In mathematics, groups formalize the concepts of symmetry and transformation, underpinning abstract algebra, geometry, topology, and number theory. In physics, group theory is indispensable for understanding the fundamental laws of nature, from classifying elementary particles to formulating quantum field theory. Within computer science, groups play key roles in cryptography, coding theory, and algorithm design. Furthermore, in deep learning, group theory informs the design of symmetry-aware architectures (e.g., convolutional and equivariant neural networks), enhancing parameter efficiency, generalization, and enabling applications on non-Euclidean domains (Bronstein et al., 2021). Despite their profound significance, uncovering group structures within data remains a significant challenge, traditionally requiring substantial domain expertise and human intuition. A key obstacle is the inherent non-differentiability of the defining criteria for groups the group axioms which impedes their direct integration into gradient-based learning frameworks. In this work, we introduce a novel method for automatically discovering groups and their unitary representations, leveraging the representation theory of finite groups. Our approach uses a novel network architecture that models interactions between group elements through the product of their matrix representations, along with a regularizer promoting their unitarity. This interplay naturally encourages the emergence of valid group structures, without direct evaluation of the non-differentiable group axioms. This work demonstrates the effective embedding of fundamental group structure criteria within the differentiable learning framework, paving the way for automated discovery of algebraic structures. 2 GROUPS AND REPRESENTATIONS Algebraic structures sets endowed with operations satisfying specific axioms offer a powerful framework for studying abstract mathematical objects and their interactions. Among these structures, groups are foundational building blocks of abstract algebra, underpinning the construction of Published as a conference paper at ICLR 2025 more complex entities like rings and fields. Furthermore, the well-established theory of group representations provides a crucial tool for analyzing group structures by mapping their abstract properties to the concrete domain of linear algebra. In this section, we present a concise overview of groups and their representations, emphasizing key concepts pertinent to our work. Groups A group (G, ) is a set G with a binary operation that satisfies four axioms: Closure: a, b G, a b G. Associativity: (a b) c = a (b c). Identity: There exists an identity element e G such that for all g G, g e = e g = g. Inverse: For every g G, there exists a unique inverse element g 1 such that g g 1 = g 1 g = e. Representations A representation of a group (G, ) on a vector space V is a group homomorphism ϱ: G GL (V ) that preserves the group structure: i.e. ϱ(g1 g2) = ϱ(g1)ϱ(g2), g1, g2 G. (1) In essence, it maps each group element to an invertible linear transformation on the vector space, ensuring that the composition of transformations mirrors the group operation. For a finite-dimensional vector space of dimension n, we can choose a basis to identify GL(V ) as GL(n, K), the group of n n invertible matrices over the field K. Unitary Representations A representation ϱ of a group (G, ) is called unitary if for every g G, ϱ(g) is a unitary transformation, i.e. preserves the inner product. This property makes unitary representations particularly well-behaved and amenable to analysis. Notably, the Unitarity Theorem guarantees that for many important classes of groups, such as compact and finite groups, every finite-dimensional representation is equivalent to a unitary one. Unitary representations naturally arise in the study of quantum systems, and have deep connections to other areas of mathematics, e.g., harmonic analysis and operator algebras. Irreducible Representations A representation is considered reducible if it can be decomposed into a direct sum of smaller representations via a similarity transform, leading to a block-diagonal matrix form where each block corresponds to a simpler representation. Irreducible representations (irreps), on the other hand, cannot be further decomposed and serve as the fundamental building blocks for constructing all possible group representations. Regular Representations Every group (G, ) possesses an inherent action on itself that can be viewed as a permutation, where each group element rearranges the other elements. The regular representation uses the permutation s basis vectors to construct a linear representation. It is decomposible into a direct sum of the complete set of irreps, where each irrep appears with a multiplicity equal to its dimension. Moreover, its trace, also known as character, is a simple function: Tr[ϱ(g)] = n if g = e, 0 otherwise. (2) Real vs Complex Representations Complex representations (K = C) provide a rich mathematical framework for analyzing group structures in representation theory. We utilize this framework to establish the theoretical foundations of our approach in Sections 4 and 5. However, for finite groups, real representations (K = R) often suffice in practice,1offering advantages in implementation and visualization. Our empirical results in Sections 6 and 7 thus utilize real representations. 3 BACKGROUND Binary Operation Completion In this study, we adopt the Binary Operation Completion (BOC) problem (Power et al., 2022) as our experimental setting. BOC entails completing the Cayley table of a binary operation over a finite set of abstract symbols. This problem isolates the fundamental challenge of discovering group structures solely from interactions between elements, eliminating the confounding influence of extraneous factors. Consequently, BOC provides a crucial theoretical framework for analyzing structure learning within the discrete symbolic domain, serving a role analogous to that of matrix completion in the continuous domain. 1For finite groups, every complex representation can be realized over the real numbers with a doubling of the dimension. Published as a conference paper at ICLR 2025 Figure 1: Illustration of matrix and tensor products. Nodes are factors and edges are indices. (Left) Matrix product. (Middle) Matrix product with trace operation. (Right) Hyper Cube product. Matrix Completion Matrix completion aims to infer missing entries of a partially observed matrix, assuming an underlying low-rank structure. Classical methods typically enforce this assumption by either imposing explicit rank constraints (Burer and Monteiro, 2003) or by minimizing the nuclear norm as a convex proxy for rank (Fazel et al., 2001; Cand es and Recht, 2009; Recht et al., 2010; Candes and Tao, 2010). Matrix completion provides a theoretical foundation for numerous applications, spanning recommender systems, data imputation, compressed sensing. Implicit Complexity Metric Recent research has revealed that deep matrix factorization networks, when regularized with L2 regularization (or initialized with small weights), implicitly define a complexity metric that approximates rank, such as the nuclear norm or Schatten norm (Srebro et al., 2004; Gunasekar et al., 2017). Furthermore, these implicit approaches have demonstrated superior performance in matrix completion, especially with limited data (Arora et al., 2019). Our Contributions: Bridging the Gap While Binary Operation Completion (BOC) shares conceptual similarities with matrix completion, its discrete symbolic nature poses distinct challenges. To bridge this gap, we reformulate the BOC problem into a tensor completion problem. We then propose a novel solution rooted in the representation theory of finite groups: a specialized tensorfactorization architecture coupled with a novel regularizer. This approach implicitly defines a complexity metric that acts as a differentiable proxy for the group criterion, thus providing a learningbased methodology for discovering group structures directly from data. 4 MODELING FRAMEWORK Notations and Definitions We use the following capital symbols for order-3 tensor factors: A, B, C. Aa denotes the matrix slice of A at the first index a and A a denotes its conjugate transpose. Aa Bb denotes the matrix product of Aa and Bb. Einstein convention is used throughout, where a repeated index implies contraction: e.g., Aa A a P a Aa A a, unless otherwise specified. 4.1 LINEARIZED FRAMEWORK: BINARY OPERATIONS AS BILINEAR MAPS Consider a binary operation : S S S over a finite set S containing n elements: i.e. a b = c, where a, b, c S. To facilitate modeling, we linearize the problem by considering a homomorphism ϕ : (S, ) (V, D), where V is a vector space and D : V V V is a bilinear map over V , such that D(ϕ(a), ϕ(b)) = ϕ(a b). Concretely, by choosing the vector space V = Cn with a basis (for instance, encoding each element as a one-hot vector), the bilinear map D can be represented by an order-3 tensor D Cn n n, whose entries are Dabc = 1 if a b = c, 0 otherwise. (3) where the elements of S are used as tensor indices for clarity. Hereafter, we will use D to denote the ground-truth data tensor to be learned by the model. The linearized framework reveals that any binary operation over a finite set can be fully modeled by a bilinear map, or equivalently, by its tensor representation. Crucially, this framework transforms BOC into a tensor completion problem, where we recover the missing entries of D from the observed entries in the training set. Published as a conference paper at ICLR 2025 4.2 HYPERCUBE PARAMETERIZATION To solve the tensor completion problem, we train a model tensor T to recover the data tensor D. However, treating the entries of T as independent model parameters would prevent the model from leveraging the structural relationships between observed and unobserved entries, limiting its ability to generalize. To address this, we introduce Hyper Cube factorization (Fig. 1), a structured parameterization that factorizes the model tensor as a product of three order-3 factors (i.e. cubes) A, B, C Cn n n: n Tr[Aa Bb Cc] = 1 ijk Aaki Bbij Ccjk. (4) This architecture employs matrix embeddings to represent the elements of the set S. Factors A and B serve as embedding dictionaries, mapping each element a and b to their respective matrix embeddings: Aa and Bb.2 The interaction between a and b is then modeled as the matrix multiplication: Aa Bb. Factor C then acts as an unembedding dictionary, mapping the result back to the space of S. This architecture is inspired by the representation theory of finite groups, which also employs matrix multiplication to model group operations (eq (1)). A key advantage of this approach is that it directly encodes the associativity axiom of groups through the inherent associativity of matrix multiplication, providing a strong inductive bias for capturing group structures. In contrast, conventional tensor factorization methods typically use lower-order factors to reduce model complexity but lack this useful inductive bias. As a result, they are less effective at modeling group structures (see Appendix D for a detailed comparison). 4.3 HYPERCUBE REGULARIZER The model is trained by minimizing the following regularized objective: L = Lo(T; D) + ϵH(A, B, C), (5) where Lo is a differentiable loss on the model tensor T (e.g., squared error over the training data) and H is the Hyper Cube regularizer, which penalizes the Jacobian of T with respect to the parameters: n Tr h A a Aa Bb B b + B b Bb Cc C c + C c Cc Aa A a i , (6) which can be viewed as a dual to standard L2 regularization: A 2 F + B 2 F + C 2 F . In subsequent sections, we demonstrate that eq (6) encourages the factors to learn full-rank, unitary matrix embeddings, contrasting with L2 regularization, which promotes low-rank solutions. The Unitarity Theorem of representation theory guarantees that for compact and finite groups, every finite-dimensional representation is equivalent to a unitary representation. Therefore, the unitarity bias of the Hyper Cube regularizer can leverage this theorem to promote solutions within the space of unitary matrix embeddings without loss of generality. This focused learning within a relevant subspace of representations leads to faster convergence and improved sample complexity. 4.4 INTERNAL SYMMETRY OF MODEL The over-parameterized eq (4) implies the presence of internal symmetries that leave the model unchanged. For instance, one can introduce arbitrary invertible matrices MI, MJ, MK and their inverses between the factors as Aa = M 1 K Aa MI, Bb = M 1 I Bb MJ, and Cc = M 1 J Cc MK. These yield an equivalent parameterization of T, since Tr[ Aa Bb Cc] = Tr[Aa Bb Cc]. These symmetry transformations can be understood as changing the internal basis coordinate to represent the factors. Note that while the model loss Lo(T) is invariant under such coordinate changes, the regularizer H(A, B, C) is not. However, the regularizer is invariant under unitary basis changes, in which the introduced matrices are unitary, such that MM = M M = I. Therefore, the regularizer imposes a stricter form of symmetry. This leads to the following Proposition. Proposition 4.1. If A, B, C form an optimal solution of the regularized loss eq (5), then any unitary basis changes leave the solution optimal, but non-unitary basis changes generally increase the loss. 2This embedding process is closely related to the generalized Fourier transform on groups (See Appendix I). Published as a conference paper at ICLR 2025 Figure 2: Multiplication tables (i.e. Cayley tables) of small binary operations: symmetric group S3, modular addition, subtraction, and squared addition. Elements of S3 are illustrated in Figure 8. 5 ANALYZING HYPERCUBE S INDUCTIVE BIAS While Hyper Cube eq (4) does not explicitly restrict the model s hypothesis space, the regularizer eq (6) induces a strong implicit bias on the model. In this section, we introduce key concepts for analyzing this inductive bias. See Appendix G for proofs. Lemma 5.1 (Balanced Condition). At stationary points of eq (5), imbalance terms vanish to zero: ξI = ξJ = ξK = 0, (7) where ξI = A a(C c Cc)Aa Bb(Cc C c)B b, ξJ = B b(A a Aa)Bb Cc(Aa A a)C c, and ξK = C c(B b Bb)Cc Aa(Bb B b)A a are the imbalances across edge i, j, and k, respectively. The following statements demonstrate that the regularizer promotes a unitarity condition. Definition 5.2 (Contracted Unitarity). A factor A is C-unitary if it satisfies the following: Aa A a, A a Aa I (with contracting the repeated index a). Proposition 5.3. C-unitary factors satisfy the balanced condition eq (7), given that they share a common scalar multiple of the identity matrix: i.e. Aa A a = A a Aa = Bb B b = B b Bb = Cc C c = C c Cc nα2I, (8) Lemma 5.4. Under the fixed Frobenius norm, all C-unitary factors are stationary points of the regularizer H. Remarkably, we also observe a stronger form of unitarity in the converged solutions. Definition 5.5 (Slice Unitarity). A factor A is S-unitary if every matrix slice of A is a scalar multiple of an unitary matrix: i.e. Aa A a = A a Aa α2 Aa I (without contracting the repeated index a). Observation 5.6. When optimizing the regularized loss eq (5), C-unitary solutions are consistently achieved via S-unitarity, in which eq (8) reduces to P a α2 Aa = P b α2 Bb = P c α2 Cc = nα2. Although the exact mechanism driving S-unitarity remains an open question, this observation emphasizes the strong unitarity bias induced by the Hyper Cube regularizer. In Section 6, we rigorously demonstrate the learning dynamics, revealing a consistent reduction in imbalance and unitarity measures during optimization with Hyper Cube regularization. These findings compellingly suggest that unitarity is not merely a byproduct, but a fundamental attribute of Hyper Cube s optimal solutions. 6 ANALYSIS ON SMALL-SCALE BOC EXPERIMENTS We begin with a detailed qualitative analysis of how Hyper Cube learns small-scale binary operations. First, we examine the model s learning dynamics on the group operation in S3 (Section 6.1), followed by analysis of the learned matrix embeddings (Section 6.2). Finally, we extend these results to other operations from Figure 2 (Section 6.3). 6.1 LEARNING DYNAMICS ON SYMMETRIC GROUP S3 Figure 3 compares the effect of different regularization strategies on the model s learning dynamics on the symmetric group S3 with 60% of the Cayley table sampled as training data. (See also Published as a conference paper at ICLR 2025 Unregularized L2 regularized regularized Figure 3: Optimization trajectories on the S3 dataset with 60% training data fraction. (Top) Unregularized, (Middle) L2-regularized, and (Bottom) H-regularized training. Column 3 shows the average imbalance ( ξI 2 F + ξJ 2 F + ξK 2 F )1/2, and column 4 shows deviation from C-unitarity P a Aa A a/n α2I 2 F and S-unitarity Aa A a α2 Aa I 2 F , averaged over all factors and slices. Column 5 shows normalized singular values of unfolded factors A, B, C. Figure 15 for a direct visualization of the evolution of the model tensor and parameters.) Similar analysis on the learning of the modular addition operation is presented in Figure 18 and 19. In the absence of regularization, the model quickly memorizes the training dataset, achieving perfect training accuracy, but fails to generalize to the test dataset. Also, the singular values of the unfolded factors remain largely unchanged during training, indicating minimal internal structural changes. Under H regularization, the model also first memorizes the training data, but then continues to improve on the test set. A critical turning point is observed around t 200, marked by a sudden collapse of the singular values towards a common value, signifying convergence to a unitary solution. Simultaneously, the C/S-unitarity and imbalance measures rapidly decrease to zero. This internal restructuring coincides with a substantial improvement in test performance, achieving 100% test accuracy, highlighting its crucial role in enabling generalization. Notably, when the regularization coefficient ϵ drops to 0 around t = 450, both the train and test losses plummet to 0, confirming perfect recovery of D. regularized L2 regularized Unregularized D D D D D D Figure 4: Model tensor T trained on the S3 dataset. Training data are marked by stars (1s) and circles (0s). In contrast, under L2 regularization, the model converges to a low-rank solution, as evidenced by a portion of the singular values decaying to zero. Although it manages to achieve perfect test accuracy in this specific case,3 L2 regularization fails to reduce test loss to zero, indicating imperfect recovery of D. Figure 4 further confirms these findings, demonstrating that only H-regularization accurately recovers the group operation, while the L2-regularized solution significantly deviates from D. This result underscores the importance of learning full-rank, unitary solutions in recovering group operations. 3This is not always the case. For example, L2 regularization only achieves 60% test accuracy in the modular addition task. See Figure 18. Published as a conference paper at ICLR 2025 6.2 HYPERCUBE LEARNS UNITARY GROUP REPRESENTATIONS We analyze the structure of the learned factors by applying the unitary basis change described in Section 4.4. The results are visualized in Figure 16. While the raw factor values may appear unstructured (top panel), a simple basis change reveals remarkable properties (middle panel). First, the learned factors share a common embedding: Ag = Bg = C g, for all g G. Furthermore, as illustrated in Figure 17, multiplication of the factor slices respects the underlying group operation: Ag1Ag2 = Ag1 g2, demonstrating the group homomorphism property from eq (1). The slices are also verifiably unitary matrices. These properties collectively imply that the learned factors form a unitary matrix representation ϱ of the group: Ag = Bg = C g = ϱ(g). (9) Further structures are revealed in a block-diagonalizing basis (bottom panel of Figure 16), where the factors show the complete set of irreducible representations (irreps) contained in the regular representation of the group, including the trivial (1-dim), sign (1-dim), and duplicate standard representations (2-dim). The trace of the factor slices also satisfies eq (2), confirming that ϱ is indeed a regular representation of the group. Notably, this representation is unique up to similarity transformations. Key Operating Mechanism These results reveal the operating mechanism of Hyper Cube on groups. Applying eq (9) and the homomorphism property of ϱ, the model eq (4) can be expressed as n Tr[ϱ(a)ϱ(b)ϱ(c) ] = 1 n Tr[ϱ(a b c 1)], (10) where the unitarity of ϱ is used for the unembedding map: Cg = ϱ(g) = ϱ(g 1). Applying eq (2) for regular representations yields the exact reconstruction of the data tensor, Tabc = Dabc, since a b c 1 = e is equivalent to a b = c in eq (3). Notably, this mechanism universally applies for all finite groups. This insight leads to the following conjecture: Conjecture 6.1. Subject to the constraint T = D, where D represents a group operation table, the unitary group representation eq (9) is the unique minimizer of Hyper Cube Regularizer eq (6) up to unitary basis changes, and the minimum value is H (D) = 3 D 2 F = 3n2. Shared-Embedding Eq (9) reveals that, for group operations, the same embedding is used across all symbol positions. This motivates tying the embeddings across factors, resulting in a parameterefficient model tailored for learning group operations: Hyper Cube-SE (shared embedding). 6.3 DISCOVERING UNITARY REPRESENTATIONS BEYOND TRUE GROUPS We extend our analysis to Hyper Cube trained on the remaining small operation tasks from Figure 2. In each case, the model accurately recovers the underlying operations from a small subset (60%) of training examples. Remarkably, the model learns closely related representations across these tasks (Figure 20), even though the operations deviate from strict group axioms. Modular Addition (a + b = c) forms the cyclic group C6. As expected, Hyper Cube learns the regular representation ϱ(g) of C6 in its factors, as described by eq (9). Modular Subtraction (a b = c) violates associativity and therfore is not a true group. Surprisingly, Hyper Cube still learns the same representation as addition but with transposed factors: A g = Bg = Cg = ϱ(g). This reflects the equivalence: a b = c a = b + c. Modular Squared Addition (a2 + b2 = c) violates the inverse axiom. Still, Hyper Cube learns the same representation as addition for elements with unique inverses (e.g., 0, 3). For others, it learns duplicate representations reflecting the periodicity of squaring modulo: e.g., A2 = A4 since 22 = 42(mod 6). These results highlight the remarkable flexibility of Hyper Cube s inductive bias: Even for group-like operations (i.e., those deviating from strict group axioms), Hyper Cube often discovers meaningful unitary representations and recovers the full Cayley table. This finding highlights the potential of unitary representations as a powerful tool for understanding binary operations in broader contexts than group theory. Published as a conference paper at ICLR 2025 Test Accuracy (%) Training data fraction Transformer Hyper Cube Hyper Cube-SE Figure 5: Generalization performance (test accuracy) of Hyper Cube and Hyper Cube-SE shown as functions of training data fraction across a diverse set of BOC tasks. The results of the Transformer baseline from Power et al. (2022) are also shown for comparison. 7 RESULTS ON DIVERSE BOC TASKS We evaluate Hyper Cube and Hyper Cube-SE on diverse BOC datasets from Power et al. (2022), encompassing a wide spectrum of group and non-group operations (details in Appendix B). These problems are significantly larger than our previous examples, with dimensions ranging from n = 97 to 120. Figure 5 plots the test accuracy of models as functions of training data fraction over various BOC tasks. 7.1 HYPERCUBE PRIORITIZES GROUPS OVER NON-GROUP OPERATIONS Hyper Cube exhibits a clear preference for learning operations that admit unitary representations. For these simple tasks, including group (a+b and S5) and group-like operations (a b, a/b and a2+b2), Hyper Cube demonstrates remarkable generalization, achieving perfect test accuracy with 18% of the data. This strong generalization extends even to the group conjugation operation (aba 1 in S5), despite its lack of unitary representations. Conversely, for more complex operations, such as aba in S5, conditional operations, and high-order polynomials, Hyper Cube necessitates significantly more data for effective generalization. Hyper Cube-SE exhibits similar behavior, but with an even stronger emphasis on prioritizing group structures. It further differentiates between group and group-like operations, requiring even less data ( 5%) for group operations to attain perfect test accuracy on group operations. For group-like operations, Hyper Cube-SE remains competitive with Hyper Cube in terms of test accuracy, despite its inherent limitation in recovering unitary representations due to the sharedembedding constraint (Eq. (9)). Moreover, Hyper Cube-SE shows a further reduction in generalization performance compared to Hyper Cube on complex operations like high-order polynomials, consistent with its heightened prioritization of group structures. 7.2 HYPERCUBE S IMPLICIT COMPLEXITY METRIC In the previous section, we categorized tasks as simple or complex without a rigorous definition. To address this, we now leverage the intrinsic complexity metric implicitly defined by Hyper Cube. We formally define the complexity of an operation as the minimum regularizer loss, denoted H , attained when fitting the fully observed Cayley table D (i.e., under the constraint T = D). This metric closely aligns with the intuitive notion of complexity (Figure 6). Group operations achieve the minimum complexity of H = 3 D 2 F , signifying their inherent simplicity within the Published as a conference paper at ICLR 2025 Hyper Cube Hyper Cube-SE Figure 6: Complexity vs Generalizability (AUC Area Under Curve). Transformer Hyper Cube Hyper Cube-SE Training data fraction Steps to Perfect Test Accuracy Figure 7: Number of training steps to achieve perfect test accuracy on the S5 task. Hyper Cube framework. In contrast, more complex tasks, such as high-order polynomials, incur substantially higher complexity costs. Figure 6 illustrates the generalization trend as a function of complexity, revealing a clear monotonic relationship: as task complexity increases, generalizability (measured by the total area under the test accuracy curve in Figure 5) decreases. This observation parallels the well-known relationship in matrix completion, where higher matrix rank (analogous to higher complexity) generally leads to poorer generalization and requires more data for effective learning. This underscores the critical role of our proposed complexity metric in determining the generalization bound for BOC. 7.3 COMPARISON TO TRANSFORMER To rigorously evaluate Hyper Cube, we compare against a Transformer baseline from Power et al. (2022). Crucially, this Transformer baseline was meticulously tuned for peak performance due to its inherent sensitivity to hyperparameters. 4 In contrast, Hyper Cube demonstrates notable robustness across a broade range of hyperparameter configurations (see Appendix C). Test Accuracy Performance Figure 5 illustrates that Transformer accuracy trends mirror Hyper Cube s, requiring more data for increasingly complex tasks. However, Transformers favor commutative operations (e.g., a+b, a2+ab+b2) over non-commutative ones (e.g., a b, S5 tasks). This likely stems from Transformers shared vector embeddings across all input locations (Power et al., 2022; Liu et al., 2022), which misaligns their inductive bias with group structure learning. Overall, Hyper Cube achieves comparable or slightly better generalization than Transformers in test accuracy across most tasks. Learning Speed Hyper Cube drastically outperforms Transformers in learning speed (Figure 7). As reported by Power et al. (2022), Transformer s learning progress on BOC is remarkably slow, requiring orders of magnitude more time to generalize to the test set than to fit the training set. This phenomenon, known as grokking, becomes exacerbated with less training data. This has been widely observed in subsequent works across various deep learning architectures (Nanda et al., 2022; Liu et al., 2022; Chughtai et al., 2023). In contrast, Hyper Cube exhibits exceptional learning speed, converging to perfect test accuracy 100 times faster than the Transformer baseline in most cases, while also requiring less data. Hyper Cube SE, which employs shared-embedding of symbols similarly to Transformers, achieves an additional 4These include learning rate, batch size, weight decay, dropout, update noise level, and optimizer type. See Section 3.3 and A.1.2 of Power et al. (2022) for further details. Published as a conference paper at ICLR 2025 10 speedup and requires only 5% of the data for perfect generalization. This dramatic 1000 improvement in learning speed demonstrates the effectiveness of Hyper Cube s inductive bias toward group structures. 8 CONCLUSION This work introduced a novel differentiable framework for discovering the structure of finite groups and their representations. Through theoretical analysis and empirical validation, we demonstrated that our proposed model exhibits a strong inductive bias towards learning group structures and their unitary representations. Furthermore, we have elucidated an implicit complexity metric inherent in our model, which quantifies the model s prioritization for discovering group structures and provides insights into the generalization properties in recovering binary operations. Crucially, this inductive bias is universal, directed towards the general algebraic structure of all groups, rather than being specific to any particular group or symmetry. This research pioneers new opportunities for employing deep learning to automatically uncover group structures from data a challenge with far-reaching implications across diverse scientific domains. Prominent potential applications include: Automatic Symmetry Discovery: Identifying symmetries in complex systems, such as physical systems or molecular structures. Representation Learning: Learning meaningful representations of data that capture underlying algebraic relationships. Algorithmic Reasoning: Developing deep learning models capable of symbolic reasoning and algorithmic problem-solving. Related Works Prior works on group discovery, particularly symmetry-focused approaches, are related to our work. However, existing symmetry-based methods typically require external information specifying the symmetry structure. For instance, Anselmi et al. (2019) leverage data augmentation with known orbit information, while Forestano et al. (2023) similarly presume an oracle providing orbit information. Yang et al. (2023) employs a semi-supervised approach to infer orbit information, and Zhou et al. (2021) utilizes meta-learning, assuming a shared group convolution structure across tasks. In contrast, our approach uniquely derives a universal inductive bias towards the general algebraic structure of groups, independent of specific symmetries. Consequently, our method is complementary to, and potentially synergistic with, these existing symmetry-focused techniques. Scalability Hyper Cube s tensor-factorization architecture can lead to substantial memory and computational costs, scaling as O(n3). However, efficient parallelization of einsum operations enables near-constant runtime complexity on GPUs (Appendix F). Moreover, we demonstrate that constraining embeddings to band-diagonal matrices can effectively reduce memory and computational costs to O(n2) (Appendix E), underscoring the potential for scaling Hyper Cube to larger problem sizes. Limitations Our analysis is primarily focused on Binary Operation Completion (BOC) tasks and currently necessitates prior knowledge of the group size, n. Furthermore, while our method is not directly applicable to continuous Lie groups in its present form, we anticipate that an analogous differentiable approach can be developed to encode the axioms of Lie algebras. Open Questions This work naturally leads to several open questions for future research. Prominent among these are deriving rigorous generalization bounds for BOC tasks and formally proving the optimality of unitary representations, as suggested by Observation 5.6 and Conjecture 6.1. Furthermore, extending our methodology to accommodate multiple symbols and operations beyond binary operations would significantly broaden its scope and applicability. ACKNOWLEDGMENTS The authors thank Nima Dehmamy and Ken Clarkson for their helpful discussions, which greatly benefited this work. Published as a conference paper at ICLR 2025 Anselmi, F., Evangelopoulos, G., Rosasco, L., and Poggio, T. (2019). Symmetry-adapted representation learning. Pattern Recognition, 86:201 208. Arora, S., Cohen, N., Hu, W., and Luo, Y. (2019). Implicit Regularization in Deep Matrix Factorization. ar Xiv:1905.13655 [cs, stat]. Bronstein, M. M., Bruna, J., Cohen, T., and Veliˇckovi c, P. (2021). Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges. ar Xiv:2104.13478 [cs, stat]. Burer, S. and Monteiro, R. D. (2003). A nonlinear programming algorithm for solving semidefinite programs via low-rank factorization. Mathematical Programming, 95(2):329 357. Candes, E. J. and Tao, T. (2010). The Power of Convex Relaxation: Near-Optimal Matrix Completion. IEEE Transactions on Information Theory, 56(5):2053 2080. Cand es, E. J. and Recht, B. (2009). Exact Matrix Completion via Convex Optimization. Foundations of Computational Mathematics, 9(6):717 772. Chughtai, B., Chan, L., and Nanda, N. (2023). Neural Networks Learn Representation Theory: Reverse Engineering how Networks Perform Group Operations. In ICLR 2023 Workshop on Physics for Machine Learning. Fazel, M., Hindi, H., and Boyd, S. (2001). A rank minimization heuristic with application to minimum order system approximation. In Proceedings of the 2001 American Control Conference. (Cat. No.01CH37148), volume 6, pages 4734 4739 vol.6. ISSN: 0743-1619. Forestano, R. T., Matchev, K. T., Matcheva, K., Roman, A., Unlu, E., and Verner, S. (2023). Deep Learning Symmetries and Their Lie Groups, Algebras, and Subalgebras from First Principles. ar Xiv:2301.05638 [hep-ph, physics:physics]. Gunasekar, S., Woodworth, B. E., Bhojanapalli, S., Neyshabur, B., and Srebro, N. (2017). Implicit Regularization in Matrix Factorization. In Advances in Neural Information Processing Systems, volume 30. Curran Associates, Inc. Kawaguchi, K. (2016). Deep learning without poor local minima. In Advances in neural information processing systems, pages 586 594. Liu, Z., Kitouni, O., Nolte, N., Michaud, E. J., Tegmark, M., and Williams, M. (2022). Towards Understanding Grokking: An Effective Theory of Representation Learning. In Advances in Neural Information Processing Systems. Nanda, N., Chan, L., Lieberum, T., Smith, J., and Steinhardt, J. (2022). Progress measures for grokking via mechanistic interpretability. In The Eleventh International Conference on Learning Representations. Power, A., Burda, Y., Edwards, H., Babuschkin, I., and Misra, V. (2022). Grokking: Generalization Beyond Overfitting on Small Algorithmic Datasets. Recht, B., Fazel, M., and Parrilo, P. A. (2010). Guaranteed Minimum-Rank Solutions of Linear Matrix Equations via Nuclear Norm Minimization. SIAM Review, 52(3):471 501. Srebro, N., Rennie, J., and Jaakkola, T. (2004). Maximum-Margin Matrix Factorization. In Advances in Neural Information Processing Systems, volume 17. MIT Press. Tucker, L. R. (1966). Some mathematical notes on three-mode factor analysis. Psychometrika, 31(3):279 311. Yang, J., Walters, R., Dehmamy, N., and Yu, R. (2023). Generative Adversarial Symmetry Discovery. ar Xiv:2302.00236 [cs]. Zhou, A., Knowles, T., and Finn, C. (2021). Meta-Learning Symmetries by Reparameterization. ar Xiv:2007.02933 [cs, stat]. Published as a conference paper at ICLR 2025 A TRAINING PROCEDURE The factor tensors are initialized with entries randomly drawn from a normal distribution: N(0, 1/ n). We employ full-batch gradient descent to optimize the regularized loss with learning rate of 0.5 and momentum of 0.5. For the small scale experiments in Section 6, the Hyper Cube regularizer coefficient is set to ϵ = 0.1. For the larger scale experiments in Section 7, we use ϵ = 0.05 for Hyper Cube and ϵ = 0.01 for Hyper Cube-SE. See Appendix C for a discussion of hyperparameter sensitivity. Each experiment quickly runs within a few minutes on a single GPU. ϵ-scheduler To overcome the limitations in standard regularized optimization, which often prevents full convergence to the ground truth (D), we employ ϵ-scheduler: Once the model demonstrates sufficient convergence (e.g., the average imbalance falls below a threshold of 10 5), the scheduler sets the regularization coefficient ϵ to 0. This allows the model to fully fit the training data. The effect of ϵ-scheduler on convergence is discussed in Appendix G.3. The main implementation of Hyper Cube is shown below. 1 import torch 3 def Hyper Cube_product(A,B,C): 4 return torch.einsum( aij,bjk,cki->abc , A,B,C) / A.shape[0] 6 def Hyper Cube_regularizer(A,B,C): 7 def helper(M,N): 8 MM = torch.einsum( aim,aij->mj , M,M) 9 NN = torch.einsum( bjk,bmk->jm , N,N) 10 return torch.einsum( mj,jm-> , MM, NN) 11 return (helper(A,B) + helper(B,C) + helper(C,A) ) / A.shape[0] B LIST OF BINARY OPERATIONS Here is the list of binary operations from Power et al. (2022) that are used in Section 7 (with p = 97). (add) a b = a + b (mod p) for 0 a, b < p. (Cyclic Group) (sub) a b = a b (mod p) for 0 a, b < p. (div) a b = a/b (mod p) for 0 a < p, 0 < b < p. (cond) a b = [a/b (mod p) if b is odd, otherwise a b (mod p)] for 0 a, b < p. (quad1) a b = a2 + b2 (mod p) for 0 a, b < p. (quad2) a b = a2 + ab + b2 (mod p) for 0 a, b < p. (quad3) a b = a2 + ab + b2 + a (mod p) for 0 a, b < p. (cube1) a b = a3 + ab (mod p) for 0 a, b < p. (cube2) a b = a3 + ab2 + b (mod p) for 0 a, b < p. (ab in S5) a b = a b for a, b S5. (Symmetric Group) (aba 1 in S5) a b = a b a 1 for a, b S5. (aba in S5) a b = a b a for a, b S5. Figure 8: Elements of the symmetric group S3 illustrated as permutations of 3 items. Green color indicates odd permutations, and white indicates even permutations. Adapted from https://en. wikipedia.org/wiki/Symmetric_group. Published as a conference paper at ICLR 2025 C HYPERPARAMETER SENSITIVITY ANALYSIS We tested Hyper Cube across a wide range of hyperparameter settings, including learning rate, regularization coefficient, and weight initialization scale. Figure 9 shows the final test accuracy and Figure 10 shows the number of training steps to achieve 100% test accuracy across a subset of tasks from Appendix B under a fixed training budget of 1000 training steps. Hyper Cube exhibits robust performance over the range of hyperparameter settings. Notably, increasing the learning rate or regularization coefficient primarily raises the convergence speed without significantly affecting the final test accuracy. The learning dynamics starts to become unstable at large learning rate (lr = 1.5) or regularization coefficient (ϵ = 0.1). The weight initialization scale has no effect on either the final test accuracy or the convergence speed. This robustness, particularly to weight initialization scale and regularization strength, is noteworthy. Deep neural networks exhibit a saddle point with zero Hessian at zero weights (Kawaguchi, 2016) which becomes a local minimum under L2 regularization. This local minimum can cause the network weights to collapse to zero when initialized with small values or under strong regularization. (This mechanism also promotes low-rank solutions in L2-regularized deep neural networks.) In contrast, Hyper Cube s quartic regularization loss, also featuring zero Hessian at zero weights, maintains the saddle point at zero. The absence of local minimum at zero prevents weight collapse, contributing to significantly robust learning dynamics and promoting the emergence of full-rank unitary representations in Hyper Cube. Figure 9: Test accuracy vs Hyperparameters : (Top) learning rate, (Middle) regularization strength, and (Bottom) weight initialization scale. Trained under a fixed training budget of 1000 steps. Default hyperparameter setting: lr = 0.5, reg coeff ϵ = 0.05, init scale = 1.0. Figure 10: Steps to 100% accuracy vs Hyperparameters : Same settings as Fig 9, but showing the number of training steps to achieve 100% test accuracy. Published as a conference paper at ICLR 2025 D ALTERNATIVE TENSOR FACTORIZATIONS Hyper Cube distinguishes itself from conventional tensor factorization architectures, which typically employ lower-order, matrix factors for decomposition: e.g., Tucker and CP decomposition. This difference is crucial for capturing the rich structure of binary operations. Tucker Decomposition (Tucker, 1966) employs a core tensor M and three matrix factors: i,j,k Mijk Aai Bbj Cck, (11) While flexible, Tucker decomposition suffers from a critical limitation: In eq (11), the role of matrix factors is limited to simply mapping individual external indices to individual internal indices (e.g. A maps a to i). This presents a recursive challenge, since learning the algebraic relationships between the external indices (a, b, c) in T requires learning the relationships between the internal indices(i, j, k) in M, which is not inherently simplifying the core learning problem. Consequently, Tucker decomposition severely overfits the training data and fails to generalize to unseen examples (Figure 11). CP Decomposition CP decomposition utilizes only matrix factors for decomposition: k Aak Bbk Cck. (12) This is equivalent to5 Hyper Cube with diagonal embeddings (i.e. Aaki = Aakδki, Bbij = Bbiδij, Ccjk = Ccjδjk), since X ijk Aaki Bbij Ccjk = X ijk Aak Bbi Ccjδkiδijδjk = X k Aak Bbk Cck. (13) Therefore, while CP decomposition can fully capture commutative Abelian groups (e.g modular addition), which admit diagonal representations (i.e., 1 1 irreps) in K = C, it lacks the expressive power to capture more complex operations. In experiments (Figure 11), CP decomposition indeed shows reasonable performance only for the modular addition task, struggling to generalize to other structures in data. Tucker decomposition CP decomposition Figure 11: Alternative Tensor Factorization Methods: Test accuracy of (Top) Tucker and (Bottom) CP decomposition methods, trained across a range of L2 regularization strengths. 5CP decomposition can also be viewed as a special case of Tucker decomposition with a fixed core tensor Mijk = 1 if i = j = k, 0 otherwise. Published as a conference paper at ICLR 2025 E BAND-DIAGONAL HYPERCUBE As mentioned above, Hyper Cube with diagonal embeddings lacks the capacity to effectively capture general group structures. However, the regular representation of a group generally decomposes into a direct sum of smaller irreducible representations, resulting in a sparse, block-diagonal matrix structure. Such block-diagonal structure can be effectively captured within the parameter space of band-diagonal matrices. Therefore, to enhance the scalability of Hyper Cube, we explore the band-diagonal variant where the factor matrices are constrained to have a fixed bandwidth around the diagonal. This reduces the model s parameter count from O(n3) to O(n2), offering significant computational advantages. Figure 12 compares the performance of the full Hyper Cube and the band-diagonal Hyper Cube with a bandwidth of 8 on a subset of tasks from Appendix B (n = 97 or 120). Remarkably, the banddiagonal version exhibits comparable performance to the full Hyper Cube model, demonstrating its effectiveness in capturing group structures even with a significantly reduced number of parameters. This result highlights the potential of band-diagonal Hyper Cube for scaling to larger problems. Figure 12: Full Hyper Cube vs Band-diagonal Hyper Cube model. (Top) final test accuracy, and (Bottom) steps to 100% test accuracy. lr = 0.5, reg coeff ϵ = 0.05, init scale = 1.0. Published as a conference paper at ICLR 2025 F RUN-TIME COMPLEXITY We empirically evaluate the run-time complexity of Hyper Cube. As expected, CPU execution time scales as O(n3). However, due to the efficient parallelization of einsum operations in Py Torch (See Appendix A), GPU execution time remains nearly constant with increasing n (up to n = 200, the maximum size that fits in the 16GB memory of a Tesla V100 GPU). This demonstrates the practical efficiency of Hyper Cube when leveraging GPU acceleration. 101 Run-time complexity (CPU, sec) CP Tucker Hyper Cube 101 Run-time complexity (GPU, sec) CP Tucker Hyper Cube Figure 13: Run-time complexity for computing the Hyper Cube architecture (eq (4)) as functions of n. Other tensor decomposition methods (CP and Tucker) are also shown. (Left) Run-time on CPU. (Right) Run-time on GPU (Tesla V100 16GB). Results are averaged over 10 runs. 101 Run-time complexity Regularizer (CPU, sec) CP Tucker Hyper Cube 101 Run-time complexity Regularizer (GPU, sec) CP Tucker Hyper Cube Figure 14: Same as above but for computing the regularizers. Published as a conference paper at ICLR 2025 G DEFERRED PROOFS G.1 PROOF OF LEMMA 5.1 ON BALANCED CONDITION OF HYPERCUBE Here, we derive the balanced condition eq (7). The gradient of the regularized loss L = Lo(T; D)+ ϵH(A, B, C) is n(( Tabc Lo) C c B b + 2ϵ(Aa(Bb B b) + (C c Cc)Aa)), (14) n(( Tabc Lo) A a C c + 2ϵ(Bb(Cc C c) + (A a Aa)Bb)), n(( Tabc Lo) B b A a + 2ϵ(Cc(Aa A a) + (B b Bb)Cc)), where Aa L L/ Aa, Bb L L/ Bb, Cc L L/ Cc, and Tabc Lo Lo/ Tabc. Define the imbalances as the differences of loss gradients: 2ϵ(A a( Aa L) ( Bb L)B b) = A a(C c Cc)Aa Bb(Cc C c)B b 2ϵ(B b( Bb L) ( Cc L)C c) = B b(A a Aa)Bb Cc(Aa A a)C c 2ϵ(C c( Cc L) ( Aa L)A a) = C c(B b Bb)Cc Aa(Bb B b)A a Setting the gradient to zero yields the balanced condition at stationary points, ξI = ξJ = ξK = 0, which proves Lemma 5.1. Note that imbalance terms are defined to cancel out the Tabc Lo terms. Therefore, the balanced condition is independent of the loss function Lo. G.2 PROOF OF LEMMA 5.4 Proof. The constraint on Frobenius norm can be integrated with the regularizer into an augmented loss via the Lagrange multiplier λ H + λ(F constant), (15) n Tr h A a Aa + B b Bb + C c Cc i is the Frobenius norm . The gradient of eq (15) with respect to Aa is proportional to Aa(H + λF) Aa(Bb B b) + (C c Cc)Aa + λAa. (16) In the case of C-unitary factors B and C, all terms in eq (16) become aligned to Aa, i.e. Aa(H + λF) (α2 B + α2 C + λ)Aa. (17) and thus an appropriate value for the Lagrange multiplier λ can be found to vanish the gradient, which confirms stationarity. This result also applies to gradient with respect to Bb and Cc by the symmetry of parameterization. G.3 PERSISTENCE OF GROUP REPRESENTATION The following lemma demonstrates a key property of our model s convergence behavior: once a group representation is learned, the solution remains within this representational form throughout optimization. Lemma G.1. Let D represent a group operation table. Once gradient descent of the regularized loss eq (5) converges to a group representation (including scalar multiples), i.e. Aa = αAaϱ(a), Bb = αBbϱ(b), Cc = αCcϱ(c) , (18) the solution remains within this representation form. Published as a conference paper at ICLR 2025 Proof. For the squared loss Lo(T; D) = X (a,b,c) Ωtrain (Tabc Dabc)2, (19) the gradient with respect to Aa eq (14) becomes n( abc Mabc C c B b + ϵ(Aa(Bb B b) + (C c Cc)Aa)) (20) where T D is the constraint error, and M is the mask indicating observed entries in the train set. Substituting the group representation form eq (18) into eq (20), we get: 1 nϵ(Aa(Bb B b) + (C c Cc)Aa) = 2ϵαAaα2ϱ(a), (21) for the last two terms, where α2 = P b α2 Bb/n = P Since the product tensor is n Tr[Aa Bb Cc] = 1 nαAaαBbαCc Tr[ϱ(a)ϱ(b)ϱ(c) ] = αAaαBbαCc Dabc, and Dabc = δa b,c = δa,c b 1 (δ is the Kronecker delta function), the first term in eq (20) becomes b,c abc Mabc C c B b = 1 b,c δa b,c Mabc(αAaαBbαCc 1)αBbαCcϱ(c b 1) b Mab(a b)(αAaαBbαCa b 1)αBbαCa bϱ(a). (22) Note that both eq (22) and eq (21) are proportional to ϱ(a). Consequently, we have Aa L ϱ(a). Similar results for other factors can also be derived: Bb L ϱ(b), and Cc L ϱ(c) . This implies that gradient descent preserves the form of the group representation (eq (18)), only updating the coefficients αAa, αBb, αCc. Effect of ϵ-Scheduler Lemma G.1 holds true even when ϵ gets modified by ϵ-scheduler, which reduces ϵ to 0. In this case, the coefficients converge to αAa = αBb = αCc = 1, resulting in the exact group representation form eq (9). Published as a conference paper at ICLR 2025 H GROUP CONVOLUTION AND FOURIER TRANSFORM H.1 FOURIER TRANSFORM ON GROUPS The Fourier transform of a function f : G R at a representation ϱ : G GL(dϱ, R) of G is g G f(g)ϱ(g). (23) For each representation ϱ of G, ˆf(ϱ) is a dϱ dϱ matrix, where dϱ is the degree of ϱ. H.2 DUAL GROUP Let ˆG be a complete set indexing the irreducible representations of G up to isomorphism, called the dual group, thus for each ξ we have an irreducible representation ϱξ : G U(Vξ), and every irreducible representation is isomorphic to exactly one ϱξ. H.3 INVERSE FOURIER TRANSFORM The inverse Fourier transform at an element g of G is given by f(g) = 1 |G| ξ ˆ G dϱξ Tr h ϱξ(g 1) ˆf(ϱξ) i . (24) where the summation goes over the complete set of irreps in ˆG. H.4 GROUP CONVOLUTION The convolution of two functions over a finite group f, g : G R is defined as b G f c b 1 h(b) (25) H.5 FOURIER TRANSFORM OF GROUP CONVOLUTION Fourier transform of a convolution at any representation ϱ of G is given by the matrix multiplication [ f h(ϱ) = ˆf(ϱ)ˆh(ϱ). (26) In other words, in Fourier representation, the group convolution is simply implemented by the matrix multiplication. b f(c b 1)h(b) (27) a,b f(a)h(b)δ(a,c b 1) (28) a,b f(a)h(b) X c ϱ(c)δ(a b,c) (29) a,b f(a)h(b)ϱ(a b) (30) a f(a)ϱ(a) X b h(b)ϱ(b) (31) = ˆf(ϱ)ˆh(ϱ). (32) where δ is the Kronecker delta function, and the equivalence between a = c b 1 and a b = c is used between the second and the third equality. Published as a conference paper at ICLR 2025 I GROUP CONVOLUTION AND FOURIER TRANSFORM IN HYPERCUBE Hyper Cube shares a close connection with group convolution and Fourier transform. On finite groups, the Fourier transform generalizes classical Fourier analysis to functions defined on the group: f : G R. Instead of decomposing by frequency, it uses the group s irreducible representations {ϱξ}, where ξ indexes the irreps (See Appendix H.2). A function s Fourier component at ξ is defined as: g G f(g)ϱξ(g). (33) Fourier Transform in Hyper Cube The Fourier transform perspective offers a new way to understand how Hyper Cube with a group representation eq (9) processes general input vectors. Consider a vector f representing a function, i.e., fg = f(g). Contracting f with a model factor A (or B) yields: ˆf fg Ag = X g G f(g)ϱ(g), (34) which calculates the Fourier transform of f using the regular representation ϱ. As ϱ contains all irreps of the group, ˆf holds the complete set of Fourier components. Conversely, contracting ˆf with ϱ (i.e. factor C) performs the inverse Fourier transform: 1 n Tr[ ˆf Cg] = 1 g G fg Tr[ϱ(g )ϱ(g) ] = fg, (35) where eq (2) is used. This reveals that the factor tensors generalize the discrete Fourier transform (DFT) matrix, allowing the model to map signals between the group space and its Fourier (frequency) space representations. Through the lens of Fourier transform, we can understand how the model eq (10) processes general input vectors (f and h): it calculates their Fourier transforms ( ˆf, ˆh), multiplies them in the Fourier domain ( ˆfˆh), and applies the inverse Fourier transform. Remarkably, this process is equivalent to performing group convolution (f h). This is because the linearized group operation (Section 4.1) naturally entails group convolution (see Appendix I.1,??). This connection reveals a profound discovery: Hyper Cube s ability to learn symbolic operations is fundamentally the same as learning the core structure of group convolutions. This means Hyper Cube can automatically discover the essential architecture needed for equivariant networks, without the need to hand-design them. This finding highlights the broad potential of Hyper Cube s inductive bias, extending its applicability beyond the realm of symbolic operations. I.1 REINTERPRETING HYPERCUBE S COMPUTATION Hyper Cube equipped with group representation eq (10) processes general input vectors f and h as fahb Tabc = 1 b f(a)h(b) Tr ϱ(a)ϱ(b)ϱ(c) n Tr[( ˆfˆh)ϱ(c) ] = 1 n Tr[[ f h ϱ(c) ] = (f h)c. (36) Therefore, the model calculates the Fourier transform of the inputs ( ˆf and ˆh), multiplies them in the Fourier domain ( ˆfˆh), and applies the inverse Fourier transform, which is equivalent to the group convolution, as shown in Appendix H.5. Published as a conference paper at ICLR 2025 J SUPPLEMENTARY FIGURES FOR SECTION 6 Product Tensor Slices Unregularized regularized Factor A Slices Figure 15: Visualization of the end-to-end model tensor T and the factor A over the training iteration steps on the symmetric group S3 task in Sec 6. Only the first three slices of the tensors are shown. (Top) End-to-end model tensor T: In the un-regularized case, the model tensor quickly converges to fit the observed data tensor entries in the training dataset (marked by stars and circles), but not in the test dataset. The H-regularized model converges to a generalizing solution around t = 200. It accurately recovers D when the regularization diminishes around t = 400 (ϵ 0). (Bottom) Factor tensor A. The unregularized model shows minimal changes from random initial values, while H-regularized model shows significant internal restructuring. Shown in the blockdiagonalizing coordinate. See Fig 16 (Bottom). (color scheme: red=1, white=0, blue=-1.) Published as a conference paper at ICLR 2025 A0 = B0 = C0 = I Block-Diagonal Figure 16: Learned factors of the H regularized model trained on the S3 group. (Top) Raw factor weights shown in their native coordinate representation. (Middle) Unitary basis change as described in Sec 4.4 with MI = I, MK = A0, MJ = B 0, such that A0 = B0 = C0 = I. Note that the factors share same weights (up to transpose in factor C). (Bottom) Factors represented in a block-diagonalizing basis coordinate, revealing the decomposition into direct sum of irreducible representations (irreps). (color scheme: red=1, white=0, blue=-1.) Published as a conference paper at ICLR 2025 Figure 17: Multiplication table of matrix slices of factor A from the mid panel of Fig 16. Note that this table share the same structure as the Cayley table of the symmetric group S3 in Fig 2A. (color scheme: red=1, white=0, blue=-1.) Published as a conference paper at ICLR 2025 regularized L2 regularized Unregularized Figure 18: Optimization trajectories on the modular addition (cyclic group C6) dataset, with 60% of the Cayley table used as train dataset (see Fig 19). (Top) Unregularized, (Middle) L2-regularized, and (Bottom) H-regularized training. The L2-regularized model only achieves 60% test accuracy. Unregularized L2 regularized regularized Figure 19: Visualization of end-to-end model tensor T trained on the modular addition (cyclic group C6) under different regularization strategies (see Fig 18). The observed training data are marked by asterisks (1s) and circles (0s). Only the H-regularized model perfectly recovers the data tensor D. (color scheme: red=1, white=0, blue=-1.) Published as a conference paper at ICLR 2025 Figure 20: Visualization of factors trained on small Cayley tables from Figure 2. (Top) c = a + b mod 6, satisfying Ag = Bg = C g = ϱ(g). (Middle) c = a b mod 6, satisfying A g = Bg = Cg = ϱ(g). (Bottom) c = a2 + b2 mod 6, which exhibits the same representation as modular addition for elements with unique inverses (e.g., g = 0, 3). For others, it learns duplicate representations reflecting the periodicity of squaring modulo 6: e.g., A2 = A4 and A1 = A5, since 22 = 42 and 12 = 52. (color scheme: red=1, white=0, blue=-1.)