Interior interpretability with attention rollout: contraction and propagation profiles in Transformers

Transformers achieve strong performance, but their internal computations remain opaque. We view each Transformer layer as a dynamic graph whose nodes are token representations and per-head attention outputs, with Multi-Head Attention (ATT) and MLP as module boundaries. On this graph we use LIG (Layer-wise Integrated Gradients), which applies set-to-set Integrated Gradients (IG) at nonlinear module boundaries. Set-to-set IG applies IG to a map from a set of input token representations to a set of output representations, evaluating token-to-token contributions, which is not standard in prior IG applications. This extends IG from the usual scalar-objective setting to set-to-set maps via an L2 scalarization, and composes within-layer contributions in the spirit of Layer-wise Relevance Propagation (LRP), with IG completeness playing the role of LRP-style conservation at each boundary. We use LIG to analyze (i) the agreement between module-wise composition and layer-whole attribution under an L2 criterion, and (ii) within-layer information flow by tracing separated ATT and MLP contributions. On BERT-base and PTB, configurations that best preserved within-layer consistency used the target token's embedding as the ATT baseline and either the ATT output at a=0 or Zero as the MLP baseline. We therefore present LIG as a diagnostic XAI tool at module-boundary granularity, without model-specific retraining or per-operation interpreter design. Code is available at https://github.com/eightsuzuki/layer-wise-integrated-gradients.

Feedforward network (FFN) blocks account for a large fraction of the parameters and computation in Transformer architectures, yet their internal structure remains difficult to interpret due to the additive superposition induced by the residual stream. We examine whether the activation of an FFN neuron can be explained by a sparse set of preceding neuron activations and attention outputs. We introduce a training-free attribution method that estimates the relative influence of upstream neurons and attention outputs on a target neuron's activation. Empirically, across models and layers, we find that small subsets of preceding activations and attention outputs suffice to preserve neuron activations with high fidelity when all remaining inputs are masked with their average values. Effective sparsity is even greater when accounting for the inherent activation sparsity of upstream layers. Moreover, applying the neuron-specific masks in all layers simultaneously, such that the induced deviations propagate through the network, leaves model perplexity largely unchanged at moderate sparsity levels. These results demonstrate that, despite dense parameterization, FFNs exhibit sparse and structured inter-layer dependencies at the neuron level. Our method provides a practical, scalable tool for circuit-level interpretability and identifies candidate sparse pathways with potential implications for efficient inference.

Understanding the internal mechanisms of transformer-based large language models (LLMs) is crucial for their reliable deployment and effective operation. While recent efforts have yielded a plethora of attribution methods attempting to balance faithfulness and computational efficiency, dense component attribution remains prohibitively expensive. In this work, we introduce Dual Path Attribution (DPA), a novel framework that faithfully traces information flow on the frozen transformer in one forward and one backward pass without requiring counterfactual examples. DPA analytically decomposes and linearizes the computational structure of the SwiGLU Transformers into distinct pathways along which it propagates a targeted unembedding vector to receive the effective representation at each residual position. This target-centric propagation achieves O(1) time complexity with respect to the number of model components, scaling to long input sequences and dense component attribution. Extensive experiments on standard interpretability benchmarks demonstrate that DPA achieves state-of-the-art faithfulness and unprecedented efficiency compared to existing baselines.