What Do Current Systematic Generalization Tasks Miss? A Reasoning-Centered Analysis

Systematic generalization remains a significant challenge in deep learning. In particular, combinatorial generalization - generalizing to new configurations of known factors of variation - is effortless for humans but difficult for standard neural architectures that rely on statistical correlations rather than explicit structural representations. We introduce a new architectural component that embeds structured inductive bias into deep learning: an attention mechanism operating over tensor-product representations (TPRs). Through controlled experiments on compositional tasks, we show that this TPR-attention mechanism outperforms existing architectural components in combinatorial generalization. These results highlight the value of integrating explicit compositional structure into neural attention and point toward a promising path for models capable of systematic generalization.

Compositional generalization tests are often used to estimate the compositionality of LLMs. However, such tests have the following limitations: (1) they only focus on the output results without considering LLMs' understanding of sample compositionality, resulting in explainability defects; (2) they rely on dataset partition to form the test set with combinations unseen in the training set, suffering from combination leakage issues. In this work, we propose a novel rule-generation perspective for compositionality estimation for LLMs. It requires LLMs to generate a program as rules for dataset mapping and provides estimates of the compositionality of LLMs using complexity-based theory. The perspective addresses the limitations of compositional generalization tests and provides a new way to analyze the compositionality characterization of LLMs. We conduct experiments and analysis of existing advanced LLMs based on this perspective on a string-to-grid task, and find various compositionality characterizations and compositionality deficiencies exhibited by LLMs.

Humans, animals, and modern machine learning models exhibit impressive abilities to learn complex behaviors and generalize these behaviors to unseen situations. This ability requires us to learn rules and regularities that allow for such generalizations. At the same time, in most complex environments, any rule will have its exceptions. How do learning systems balance between learning general regularities and memorizing exceptions? We argue that a lack of task paradigms has hindered the study of this essential ability. To address this gap, we introduce a novel task, transitive inference with exceptions, that tests for relational generalization and memorization of an exception to the relational rule. We then analytically characterize the behavior of a simple, theoretically tractable model of neural network learning (kernel ridge regression) across a broad family of representations and task parameters. We find that these models can balance between relational generalization and memorization, but unlike for transitive inference without an exception, successful generalization is sensitive to the specific representational geometry. We explain why this task is more challenging mechanistically by drawing on our analytical theory. Finally, we validate our theoretical insights in pretrained language models that are finetuned on ordered relations, finding that these models successfully generalize according to the transitive rule, but also make the kinds of systematic mistakes predicted by our theory. Overall, our theory shows how learning systems can balance between relational generalization and memorization, explains how this can go wrong, and emphasizes the need for new task paradigms designed to probe this ability.