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This research introduces Answer Probing, a technique that uses hidden state analysis rather than semantic embeddings to guide tree search in Large Language Models. By leveraging perplexity as a proxy for reasoning correctness, the proposed APTS method effectively prevents model convergence on single solutions while enhancing diversity in tasks like code generation and drug discovery. The findings offer a robust approach for improving exploration capabilities without relying on superficial linguistic patterns.
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Answer Probing-Guided Search for Diverse Solution Exploration of LLMs

arXiv2 min read

arXiv:2608.30345v1 Announce Type: new Abstract: Generating multiple diverse and high-quality solutions is valuable for many applications, such as code-test generation and drug discovery. However, Large Language Models (LLMs) tend to converge on a single high-confidence solution during inference, limiting exploration of alternative valid solution paths. Existing test-time methods promote diversity through tree-like search and prune semantically similar branches using response-level semantic embeddings. However, we find that such embeddings are easily confounded by linguistic and stylistic similarities, making it difficult to distinguish genuinely distinct solution paths. To address this, we introduce Answer Probing, which probes the potential answer an LLM would reach from an intermediate reasoning path. We demonstrate that the hidden states of probed answers more effectively differentiate distinct solution paths than semantic embeddings, and the perplexity of probed answers serves as a practical proxy for reasoning correctness. Based on these findings, we propose Answer Probing-Guided Tree Search (APTS), which guides the tree search by the probed answers' hidden state similarity and perplexity. Experiments on three reasoning tasks across two LLMs show that APTS consistently enhances solution diversity, demonstrating its effectiveness and robustness.

Abstract:Generating multiple diverse and high-quality solutions is valuable for many applications, such as code-test generation and drug discovery. However, Large Language Models (LLMs) tend to converge on a single high-confidence solution during inference, limiting exploration of alternative valid solution paths. Existing test-time methods promote diversity through tree-like search and prune semantically similar branches using response-level semantic embeddings. However, we find that such embeddings are easily confounded by linguistic and stylistic similarities, making it difficult to distinguish genuinely distinct solution paths. To address this, we introduce Answer Probing, which probes the potential answer an LLM would reach from an intermediate reasoning path. We demonstrate that the hidden states of probed answers more effectively differentiate distinct solution paths than semantic embeddings, and the perplexity of probed answers serves as a practical proxy for reasoning correctness. Based on these findings, we propose Answer Probing-Guided Tree Search (APTS), which guides the tree search by the probed answers' hidden state similarity and perplexity. Experiments on three reasoning tasks across two LLMs show that APTS consistently enhances solution diversity, demonstrating its effectiveness and robustness.

Artificial Intelligence (cs.AI)

arXiv:2608.30345 [cs.AI]

(or arXiv:2608.30345v1 [cs.AI] for this version)

https://doi.org/10.48550/arXiv.2608.30345 Focus to learn more arXiv-issued DOI via DataCite (pending registration)

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Full text under the publisher's open licence · 272 words

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