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This research demonstrates how shifting from next-token prediction to multi-token prediction enables Transformers to develop robust planning capabilities through a distinct reverse reasoning process. By decoupling gradients during training, this approach allows models to effectively reconstruct complex paths in graph tasks and logical benchmarks like Countdown without relying on standard autoregressive objectives. The findings provide critical theoretical insight into optimizing Transformer architectures for global structural understanding rather than just local sequence completion.
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How Transformers Learn to Plan via Multi-Token Prediction

arXiv2 min read

arXiv:2604.11912v2 Announce Type: replace-cross Abstract: While next-token prediction (NTP) has been the standard objective for training language models, it often struggles to capture global structure in reasoning tasks. Multi-token prediction (MTP) has recently emerged as a promising alternative, yet its underlying mechanisms remain poorly understood. In this paper, we study how MTP facilitates reasoning, with a focus on planning. Empirically, we show that MTP consistently outperforms NTP on both synthetic graph path-finding tasks and more realistic reasoning benchmarks, such as Countdown and boolean satisfiability problems. Theoretically, we analyze a simplified two-layer Transformer on a star graph task. We prove that MTP induces a two-stage reverse reasoning process: the model first attends to the end node and then reconstructs the path by tracing intermediate nodes backward. This behavior arises from a gradient decoupling property of MTP, which provides a cleaner training signal compared to NTP. Ultimately, our results highlight how multi-token objectives inherently bias optimization toward robust and interpretable reasoning circuits.

Abstract:While next-token prediction (NTP) has been the standard objective for training language models, it often struggles to capture global structure in reasoning tasks. Multi-token prediction (MTP) has recently emerged as a promising alternative, yet its underlying mechanisms remain poorly understood. In this paper, we study how MTP facilitates reasoning, with a focus on planning. Empirically, we show that MTP consistently outperforms NTP on both synthetic graph path-finding tasks and more realistic reasoning benchmarks, such as Countdown and boolean satisfiability problems. Theoretically, we analyze a simplified two-layer Transformer on a star graph task. We prove that MTP induces a two-stage reverse reasoning process: the model first attends to the end node and then reconstructs the path by tracing intermediate nodes backward. This behavior arises from a gradient decoupling property of MTP, which provides a cleaner training signal compared to NTP. Ultimately, our results highlight how multi-token objectives inherently bias optimization toward robust and interpretable reasoning circuits.

Machine Learning (cs.LG); Artificial Intelligence (cs.AI)

arXiv:2604.11912 [cs.LG]

(or arXiv:2604.11912v2 [cs.LG] for this version)

https://doi.org/10.48550/arXiv.2604.11912 Focus to learn more arXiv-issued DOI via DataCite

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