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QUBE: Enhancing Automatic Heuristic Design via Quality-Uncertainty Balanced Evolution (2412.20694v4)

Published 30 Dec 2024 in cs.NE, cs.AI, and cs.CL

Abstract: Solving NP-hard problems traditionally relies on heuristics, yet manually designing effective heuristics for complex problems remains a significant challenge. While recent advancements like FunSearch have shown that LLMs can be integrated into evolutionary algorithms (EAs) for heuristic design, their potential is hindered by limitations in balancing exploitation and exploration. We introduce Quality-Uncertainty Balanced Evolution (QUBE), a novel approach that enhances LLM+EA methods by redefining the priority criterion within the FunSearch framework. QUBE employs the Quality-Uncertainty Trade-off Criterion (QUTC), based on our proposed Uncertainty-Inclusive Quality metric, to evaluate and guide the evolutionary process. Through extensive experiments on challenging NP-complete problems, QUBE demonstrates significant performance improvements over FunSearch and baseline methods. Our code are available at https://github.com/zzjchen/QUBE_code.

Summary

  • The paper introduces UBER, which integrates LLMs with evolutionary algorithms using a novel uncertainty measure to automatically design high-quality heuristics.
  • It employs the Uncertainty-Inclusive Evolution Process and Island Reset to balance exploitation and exploration in heuristic search.
  • Experimental results show UBER outperforms state-of-the-art methods, achieving a 41.73% reduction in excess bins for Online Bin Packing.

Overview of UBER: Uncertainty-Based Evolution with LLMs for Automatic Heuristic Design

The paper presents UBER, an advanced methodology aimed at improving automatic heuristic design by leveraging LLMs within an Evolutionary Algorithm (EA) framework. UBER is built on the FunSearch framework, which integrates LLMs as variation operators to refine heuristics for solving NP-complete problems. However, UBER introduces significant advancements by focusing on the balance between exploitation and exploration through uncertainty inclusion, addressing key limitations observed in the FunSearch approach.

Core Innovations in UBER

UBER incorporates two main enhancements: the Uncertainty-Inclusive Evolution Process (UIEP) and the Uncertainty-Inclusive Island Reset (UIIS). These innovations directly tackle the deficiencies noted in FunSearch, enhancing both the quality of exploitation and exploration within the search space for heuristics.

  1. Uncertainty-Inclusive Evolution Process (UIEP):
    • UIEP utilizes a novel measure called Uncertainty-Inclusive Quality (UIQ), which assesses the quality of a heuristic sample based on the expected performance of its progeny, along with a calculated uncertainty term.
    • The introduction of UIQ allows for a more informed and balanced selection of parent heuristics, promoting exploration by occasionally selecting less-sampled, yet potentially promising heuristics while emphasizing exploitation of consistently high-performing ones.
  2. Uncertainty-Inclusive Island Reset (UIIS):
    • UIIS periodically evaluates each island's potential to evolve high-quality samples, incorporating uncertainty in its assessment. This enables more strategic resets by preserving islands that show promising potential, even if their current performance is suboptimal.
    • This strategy contrasts with the more static reset criteria of FunSearch, which were based solely on current performance metrics.

Experimental Evaluation

The efficacy of UBER is demonstrated through a series of experiments on complex NP-complete problems such as Online Bin Packing, the Cap Set problem, and the Traveling Salesman Problem (TSP). The experimental results highlight several key findings:

  • Performance Gains: UBER consistently surpasses FunSearch and other state-of-the-art methods across multiple datasets in terms of heuristic quality. For instance, UBER achieved a 41.73% reduction in excess bins for Online Bin Packing, illustrating its superior exploitation capabilities.
  • Robustness Across Different LLMs: UBER maintains its performance edge regardless of the underlying LLM used, thereby confirming its adaptability and robustness.
  • Superior Exploration: By effectively managing the trade-off between exploration and exploitation, UBER demonstrates sustained improvement in performance even in later stages of the evolutionary process, a phase where FunSearch typically stagnates.

Implications and Future Directions

The introduction of UBER opens new avenues for the integration of uncertainty quantification in the design frameworks leveraging LLMs and EAs. Its innovations can significantly improve automatic heuristic search processes, potentially benefiting a wide array of fields that require efficient problem-solving techniques. In terms of practical impact, the model's ability to evolve heuristics more adaptively and efficiently could aid in crafting solutions for real-world problems with complex, dynamic constraints.

Future research could expand on UBER's framework by exploring more sophisticated models of uncertainty or integrating this approach with other emerging AI techniques such as reinforcement learning. Experimenting with more computationally diverse and intensive problem domains may also provide further insights into the scalability and adaptability of UBER, driving advancements in automatic algorithm design and optimization.

In conclusion, the paper presents UBER as a forward-thinking approach that harnesses the full potential of LLMs in automatic heuristic design, demonstrating considerable improvements over existing methodologies and setting a foundation for future explorations in AI-driven problem-solving frameworks.

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