Automatic feature engineering (AutoFE) for tabular learning can be naturally formulated as a program synthesis problem, where the objective is to discover predictive feature transformations from an exponentially large search space. Recent advances in large language models (LLMs) have expanded the expressiveness of AutoFE by enabling feature program generation beyond predefined operator libraries. However, existing LLM-based approaches remain fundamentally limited by stateless generation and homogeneous search: feature proposals are produced from static prompts without accumulating search experience, while single-population exploration quickly converges to dominant transformation patterns and rarely discovers complementary feature compositions across transformation families. We propose TOPOFE, a topology-aware multi-island evolutionary framework for LLM-guided feature engineering. TOPOFE combines family-specialized exploration, adaptive prompt memory, and topology-guided knowledge transfer to efficiently discover diverse and compositional feature programs. Experiments on 29 public tabular datasets demonstrate consistent improvements over state-of-the-art AutoFE methods across classification and regression tasks. Beyond predictive performance, TOPOFE discovers more diverse and transferable feature programs that generalize across multiple downstream predictors and LLM backbones.
Evolutionary program search guided by Large Language Models (LLMs) has emerged as a powerful paradigm for automated scientific discovery. However, current approaches are fundamentally constrained by three bottlenecks: structurally blind parent selection, sparse whole-program evaluation rewards, and static mutation operators that fail to adapt during search. We present GAE (Graph-Augmented Evolution), a framework that resolves these limitations through a tightly coupled, three-pillar architecture. First, a relational graph neural network (GNN) parses programs into typed computation graphs, producing structure-aware embeddings. Second, an RL-optimized meta-controller leverages these embeddings to replace blind evolutionary sampling with a directed policy, dynamically selecting optimal parents and mutation directions based on reward history. Third, an online GRPO fine-tuning loop continuously updates the LLM mutation operator at test-time using group-normalized evaluation rewards, directly aligning the model's generation distribution with high-fitness structural edits. We evaluate GAE on a challenging scientific discovery task: symbolic regression for complex nonlinear oscillator systems. By transforming stochastic search into a directed, self-improving trajectory, GAE efficiently discovers closed-form physical equations, consistently matching or outperforming static LLM-driven baselines and achieving state-of-the-art out-of-distribution performance.
This work proposes a general LES framework that incorporates feature-assisted niche construction within abstract search spaces, enabling the seamless integration of niche-based search strategies from evolutionary computation and introduces PartEvo (Partition to Evolve), an LES method that combines niche collaborative search and advanced prompting strategies to improve algorithm discovery efficiency.
Qinglong Hu, Qingfu Zhang· Neural Information Processin...· 10 citations· ⚡3
OptGraph is the first optimization agentic workflow that introduces graph retrieval-augmented generation (GraphRAG) and first constructs reusable experience as a typed graph, capturing the relationships among modeling patterns, problem formalization, implementation details, and error corrections.
Xianchao Xiu, Jianhao Li, Huangyue Chen et al.· 1 citation
An automatic pipeline that is problem-agnostic to all problems in the MiniZinc format is built, finding that algorithm selection achieves a 39.6% average problem-weighted win rate against a one-shot Gurobi baseline, more than doubling the best single configuration (19.3%).
Hai Xia, Vaidyanathan Peruvemba Ramaswamy, Stefan Szeider· 0 citations
HELP, a program optimizer that prompts an LLM to generate diverse, non-overlapping atomic edits and then systematically selects and composes them into coherent program improvements using evaluator scores, is introduced.
Jingwen Fu, Zhen Liu, Yuhan Liu et al.· 2 citations
PACE is proposed, which decouples local logic from complete programs by representing it as persistent units called Executable Algorithmic Primitives (EAPs), and maintains a dynamic set of EAPs to enable code-level transfer.
Zhuoliang Xie, Ruihao Zheng, Xiangzhao Xu et al.· 0 citations
A weeklong summer workshop brought higher education faculty to campus to explore how AI and machine learning materials can be adapted for their classrooms.
