Autoregressive (AR) language models and Diffusion Language Models (DLMs) constitute the two principal paradigms of large language models. However, both paradigms suffer from insufficient reasoning capabilities. Human reasoning inherently relies on causal knowledge and thought, which are reflected in natural language. But in the AR paradigm, language is modeled as next token prediction (a strictly left-to-right, token-by-token order), whereas natural language itself exhibits more flexible causal structures. In the DLM paradigm, the attention mechanism is fully connected, which entirely disregards causal order. To fill this gap, we propose the Causal Concept-Guided Diffusion Language Model (C²DLM). Starting from DLM’s fully connected attention, C²DLM first obtains a concept-level causal graph from the teacher model, and then explicitly guides attention to learn causal relationships between concepts. By focusing on causal relationships and avoiding interference from difficult subgoals involving causal inversion, C²DLM achieves a 12% improvement and a 3.2× training speedup on the COT-OrderPerturb task, along with an average gain of 1.31% across six downstream reasoning tasks. Code and data are available  here.

Large Language Models (LLMs) have achieved remarkable success across various domains. However, a fundamental question remains: Can LLMs effectively utilize causal knowledge for prediction and generation? Through empirical studies, we find that LLMs trained directly on large-scale data often capture spurious correlations rather than true causal relationships, leading to suboptimal performance, especially in out-of-distribution (OOD) scenarios. To address this challenge, we propose Causal Attention Tuning (CAT), a novel approach that injects fine-grained causal knowledge into the attention mechanism. We propose an automated pipeline that leverages human priors to automatically generate token-level causal signals and introduce the Re-Attention mechanism to guide training, helping the model focus on causal structures while mitigating noise and biases in attention scores. Experimental results on our proposed Spurious Token Game (STG) benchmark and multiple downstream tasks demonstrate that our approach effectively leverages causal knowledge for prediction and remains robust in OOD scenarios. The CAT achieves an average improvement of 5.76% on the STG dataset and 1.56% on downstream tasks. Notably, the OOD performance of the Llama-3.1-8B model on STG_M increased from 64.5% to 90.5%, and Qwen’s OOD performance on the STG_H dataset improved from 25.4% to 55.9%. Implementation details can be found at https://github.com/Kairong-Han/CAT.