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Atomic Thinking of LLMs: Decoupling and Exploring Mathematical Reasoning Abilities

NeurIPS 2025 · Large language models › Agents, code and math · approach: Mathematical and structural reasoning benchmarks · 0 citations (OpenAlex)

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Proposes decoupling LLM mathematical reasoning into field-specific (algebra, geometry, analysis, topology) and logical (conceptual understanding, forward formal reasoning, counterexample-driven backward reasoning) atomic capabilities, with datasets and an evaluation of advanced models plus LoRA-based cross-capability interaction experiments.

Problem

Current LLM math evaluation and training rely on end-to-end accuracy and scaling data, offering little insight into whether models acquire underlying mathematical concepts and reasoning atoms rather than memorizing training problems.

Approach

Decompose mathematical ability into atomic capabilities along field and logical dimensions, build separate train/test data for each, and measure how stimulating one atomic capability transfers to others via supervised LoRA fine-tuning.

Key results

Measured effects reported in the paper

What was changedWhereMeasuredEffect
Train on Algebra atomic-capability data (ablation)Qwen2.5-Math-Instruct-7B · Geometry lowaccuracy: 52.1 -> 65.7Helped
Train on Algebra atomic-capability data (ablation)Qwen2.5-Math-Instruct-7B · Analysis lowaccuracy: 67.7 -> 75.8Helped
Train on Algebra atomic-capability data (ablation)Qwen2.5-Math-Instruct-7B · Algebra lowaccuracy: 80.5 -> 80.2Hurt
Train on Topology atomic-capability data (ablation)Qwen2.5-Math-Instruct-7B · Analysis highaccuracy: 66.5 -> 59.2Hurt
Train on conceptual understanding fill-in-the-blank tasks (ablation)Qwen2.5-Math-Instruct-7B · Forward reasoning formal languageaccuracy: 34.4 -> 53.5Helped
Train on conceptual understanding fill-in-the-blank tasks (ablation)Qwen2.5-Math-Instruct-7B · Backward reasoning statement judgmentF-1: 30.2 -> 40.1Helped
Train on forward reasoning data (ablation)Qwen2.5-Math-Instruct-7B · Concept attribute descriptionaccuracy: 34.4 -> 25.1Hurt
Train on backward reasoning data (ablation)Qwen2.5-Math-Instruct-7B · Forward reasoning formal languageaccuracy: 34.4 -> 50.3Helped
Train on high-difficulty field data (ablation)Qwen2.5-Math-Instruct-7B · Algebra highaccuracy: 65.2 -> 68.3Helped
Train on low-difficulty field data (ablation)Qwen2.5-Math-Instruct-7B · Analysis highaccuracy: 66.5 -> 62.2Hurt
Train on conceptual understanding tasks (ablation)Qwen2.5-Math-Instruct-7B · Analysis highaccuracy: 66.5 -> 72.3Helped

Surprising findings

Limitations

Experimental setup

Datasets: MATH GSM8K Gaokao-Bench OlympiadBench AIME MMLU DeepMath NaturalProofs LeanWorkbook CounterMATH

Benchmarks: Atomic field capability dataset (algebra, geometry, analysis, topology; levels 1-2) Atomic logic capability dataset (attribute description, definition, forward formal reasoning, counterexample) CounterMATH metrics

Metrics: accuracy F-1 Example (%) Strict align (%) Loose align (%)

Baselines: Deepseek-Math-7B-RL Eurus-2-7B-PRIME Qwen2.5-Math-7B-Instruct NuminaMath-7B-TIR InternLM2-Math-Plus-7B/20B Abel-7B/13B WizardMath-7B MetaMath-Mistral-7B Xwin-Math-7B/13B QwQ-32B GPT-4o OpenAI o1

Builds on: CounterMATH chain-of-thought LoRA NaturalProofs

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