Virginia Tech
Abstract: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.
Abstract:Reinforcement learning (RL) has become a key approach for training LLM agents, yet popular methods such as GRPO/RLOO rely on multiple independently sampled complete trajectories for advantage estimation. In long-horizon agentic tasks, such a uniform rollout strategy can waste budget on uninformative dead-end attempts, while promising intermediate states do not receive sufficient exploration. The multi-turn structure of agentic trajectories, with interleaved actions and observations, naturally supports organizing a trajectory group as a tree, where each turn serves as a decision point for exploration. This perspective reframes effective exploration as the problem of deciding where to branch. We propose Process-Scorer Guided Adaptive Tree Rollout (PATR), a quality-aware rollout framework for multi-turn agent RL. PATR uses task-appropriate process feedback to score partial trajectories, selectively branches from promising states, reuses shared prefixes, and conservatively stops degenerate paths to reduce wasted sampling. The resulting rollout groups remain compatible with standard policy optimization while providing more efficient exploration under the same training budget. We evaluate PATR on FrozenLake and the challenging SWE-Bench, which is largely unexplored by prior tree-rollout agent RL methods. Experiments show that PATR improves performance by up to +5.0 points on SWE-Bench and +9.3 points on FrozenLake, highlighting process-guided tree rollouts as an effective strategy for scalable multi-turn RL.
Abstract:Recovering governing Ordinary Differential Equations (ODEs) from data is a central challenge in modeling dynamical systems across scientific domains. Existing approaches cast discovery as a static inference problem over fixed datasets, assuming that the observed trajectories are sufficiently informative. However, dynamical systems evolve over large state spaces, and limited data can make multiple equations observationally indistinguishable, leading to identifiability gaps and the recovery of incorrect governing equations. To address this, we introduce LLM-ACES, or LLM-guided Active Closed-loop Equation Search, a closed-loop framework that jointly optimizes symbolic hypothesis construction and adaptive data acquisition. In LLM-ACES, a large language model (LLM) proposes operator priors that partition the large search space into distinct regions, within which candidate equations are fit to the observed data. The disagreement among these candidates guides the acquisition of informative trajectories, creating a feedback loop that iteratively refines both the hypothesis space and the discovered dynamics. On 122 ODE systems spanning ODEBench and ODEBase, LLM-ACES achieves the lowest median NMSE, outperforming state-of-the-art baselines by several orders of magnitude while achieving a high symbolic accuracy of 46.2% and 52.4%, respectively. Our analysis further shows that LLM-ACES is sample-efficient, achieving better performance with one-tenth the data. Furthermore, LLM-ACES's feedback-driven data acquisition makes it robust to noise and recovers the correct symbolic structure, while baselines introduce spurious terms that fit the data locally but obscure the true governing relationships.
Abstract:Enabling Large Language Models (LLMs) to continuously improve from environmental interactions is a central challenge in post-training. While on-policy self-distillation offers a promising paradigm, existing methods predominantly treat environmental feedback as a passive conditioning signal. Consequently, they heavily rely on successful demonstrations and struggle to learn in rare-success regimes. To bridge this gap, we introduce Reflection-Enhanced Self-Distillation (RESD), a framework that transforms raw failure feedback into an active source of corrective supervision. Instead of passively appending feedback, RESD interprets failed trajectories by generating retrospective reflections to diagnose local errors, and curates a persistent global playbook to preserve reusable lessons across training steps. The enriched context enables the self-teacher to provide actionable token-level supervision even in the absence of successful rollouts. Empirical evaluations on multiple continual learning tasks demonstrate that RESD substantially outperforms standard self-distillation baselines. Furthermore, RESD achieves significantly faster early-stage improvement than GRPO with $8\times$ samples using only a single rollout per prompt, highlighting its superior interaction efficiency.
Abstract:We study a pipeline that curates reasoning data from initial structured data for improving long-context reasoning in large language models (LLMs). Our approach, $π^2$, constructs high-quality reasoning data through rigorous QA curation: 1) extracting and expanding tables from Wikipedia, 2) from the collected tables and relevant context, generating realistic and multi-hop analytical reasoning questions whose answers are automatically determined and verified through dual-path code execution, and 3) back-translating step-by-step structured reasoning traces as solutions of QA pairs given realistic web-search context. Supervised fine-tuning with \textsc{\small{gpt-oss-20b}} and \textsc{\small{Qwen3-4B-Instruct-2507}} on $π^2$ yields consistent improvements across four long-context reasoning benchmarks and our alike $π^2$-Bench, with average absolute accuracy gains of +4.3% and +2.7% respectively. Notably, our dataset facilitates self-distillation, where \textsc{\small{gpt-oss-20b}} even improves its average performance by +4.4% with its own reasoning traces, demonstrating $π^2$'s usefulness. Our code, data, and models are open-source at https://github.com/vt-pi-squared/pi-squared.
Abstract:Multi-agent Retrieval-Augmented Generation (RAG), wherein each agent takes on a specific role, supports hard queries that require multiple steps and sources, or complex reasoning. Existing approaches, however, rely on static agent behaviors and fixed orchestration strategies, leading to brittle performance on diverse, multi-hop tasks. We identify two key limitations: the lack of continuously adaptive orchestration mechanisms and the absence of behavior-level learning for individual agents. To this end, we propose HERA, a hierarchical framework that jointly evolves multi-agent orchestration and role-specific agent prompts. At the global level, HERA optimizes query-specific agent topologies through reward-guided sampling and experience accumulation. At the local level, Role-Aware Prompt Evolution refines agent behaviors via credit assignment and dual-axes adaptation along operational and behavioral principles, enabling targeted, role-conditioned improvements. On six knowledge-intensive benchmarks, HERA achieves an average improvement of 38.69\% over recent baselines while maintaining robust generalization and token efficiency. Topological analyses reveal emergent self-organization, where sparse exploration yields compact, high-utility multi-agent networks, demonstrating both efficient coordination and robust reasoning.
Abstract:Large reasoning models improve with more test-time computation, but often overthink, producing unnecessarily long chains-of-thought that raise cost without improving accuracy. Prior reinforcement learning approaches typically rely on a single outcome reward with trajectory-level length penalties, which cannot distinguish essential from redundant reasoning steps and therefore yield blunt compression. Although recent work incorporates step-level signals, such as offline pruning, supervised data construction, or verifier-based intermediate rewards, reasoning length is rarely treated as an explicit step-level optimization objective during RL. We propose Step-wise Adaptive Penalization (SWAP), a fine-grained framework that allocates length reduction across steps based on intrinsic contribution. We estimate step importance from the model's on-policy log-probability improvement toward the correct answer, then treat excess length as a penalty mass redistributed to penalize low-importance steps more heavily while preserving high-importance reasoning. We optimize with a unified outcome-process advantage within group-relative policy optimization. Extensive experiments demonstrate that SWAP reduces reasoning length by 64.3% on average while improving accuracy by 5.7% relative to the base model.
Abstract:We introduce LaySPA, a reinforcement learning framework that equips large language models (LLMs) with explicit and interpretable spatial reasoning for content-aware graphic layout design. LaySPA addresses two key challenges: LLMs' limited spatial reasoning and the lack of opacity in design decision making. Instead of operating at the pixel level, we reformulate layout design as a policy learning problem over a structured textual spatial environment that explicitly encodes canvas geometry, element attributes, and inter-element relationships. LaySPA produces dual-level outputs comprising interpretable reasoning traces and structured layout specifications, enabling transparent and controllable design decision making. Layout design policy is optimized via a multi-objective spatial critique that decomposes layout quality into geometric validity, relational coherence, and aesthetic consistency, and is trained using relative group optimization to stabilize learning in open-ended design spaces. Experiments demonstrate that LaySPA improves structural validity and visual quality, outperforming larger proprietary LLMs and achieving performance comparable to specialized SOTA layout generators while requiring fewer annotated samples and reduced latency.
Abstract:Retrieval-augmented generation (RAG) systems commonly improve robustness via query-time adaptations such as query expansion and iterative retrieval. While effective, these approaches are inherently stateless: adaptations are recomputed for each query and discarded thereafter, precluding cumulative learning and repeatedly incurring inference-time cost. Index-side approaches like key expansion introduce persistence but rely on offline preprocessing or heuristic updates that are weakly aligned with downstream task utility, leading to semantic drift and noise accumulation. We propose Evolving Retrieval Memory (ERM), a training-free framework that transforms transient query-time gains into persistent retrieval improvements. ERM updates the retrieval index through correctness-gated feedback, selectively attributes atomic expansion signals to the document keys they benefit, and progressively evolves keys via stable, norm-bounded updates. We show that query and key expansion are theoretically equivalent under standard similarity functions and prove convergence of ERM's selective updates, amortizing optimal query expansion into a stable index with zero inference-time overhead. Experiments on BEIR and BRIGHT across 13 domains demonstrate consistent gains in retrieval and generation, particularly on reasoning-intensive tasks, at native retrieval speed.
Abstract:Large Language Models (LLMs) have become a popular interface for human-AI interaction, supporting information seeking and task assistance through natural, multi-turn dialogue. To respond to users within multi-turn dialogues, the context-dependent user intent evolves across interactions, requiring contextual interpretation, query reformulation, and dynamic coordination between retrieval and generation. Existing studies usually follow static rewrite, retrieve, and generate pipelines, which optimize different procedures separately and overlook the mixed-initiative action optimization simultaneously. Although the recent developments in deep search agents demonstrate the effectiveness in jointly optimizing retrieval and generation via reasoning, these approaches focus on single-turn scenarios, which might lack the ability to handle multi-turn interactions. We introduce a conversational agent that interleaves search and reasoning across turns, enabling exploratory and adaptive behaviors learned through reinforcement learning (RL) training with tailored rewards towards evolving user goals. The experimental results across four widely used conversational benchmarks demonstrate the effectiveness of our methods by surpassing several existing strong baselines.