Self-Attention Limits Working Memory Capacity of Transformer-Based Models

Abstract: Recent work on Transformer-based LLMs has revealed striking limits in their working memory capacity, similar to what has been found in human behavioral studies. Specifically, these models' performance drops significantly on N-back tasks as N increases. However, there is still a lack of mechanistic interpretability as to why this phenomenon would arise. Inspired by the executive attention theory from behavioral sciences, we hypothesize that the self-attention mechanism within Transformer-based models might be responsible for their working memory capacity limits. To test this hypothesis, we train vanilla decoder-only transformers to perform N-back tasks and find that attention scores gradually aggregate to the N-back positions over training, suggesting that the model masters the task by learning a strategy to pay attention to the relationship between the current position and the N-back position. Critically, we find that the total entropy of the attention score matrix increases as N increases, suggesting that the dispersion of attention scores might be the cause of the capacity limit observed in N-back tasks. Our findings thus offer insights into the shared role of attention in both human and artificial intelligence. Moreover, the limitations of the self-attention mechanism revealed in the current study could inform future efforts to design more powerful model architectures with enhanced working memory capacity and cognitive capabilities.