Bilevel Optimization of Synthetic Trajectories for Multi-Turn LLM Fine-Tuning
Authors: Shresth Verma, Mauricio Tec, Cheol Woo Kim, Kai Wang, Milind Tambe
Abstract
While LLMs excel at single-turn generation, they struggle with long-horizon, multi-turn interactions. Offline reinforcement learning (RL) offers a scalable approach, yet its performance hinges on the availability and quality of multi-turn trajectory data. A common remedy is to augment training with synthetic trajectories generated by LLMs or simulators, but synthetic data is highly heterogeneous in quality, and naively treating all trajectories as equally informative can degrade performance. We propose BOOST, a bilevel optimization framework where the inner level trains the LLM on reweighted data and the outer level trains a lightweight reweighting head on held-out real validation tasks, assigning continuous trajectory-level weights without requiring an external judge. To ground this approach, we derive a PAC-Bayesian bound revealing a three-way trade-off: synthetic data increases diversity but risks task-shift, while concentrating weight on high-quality trajectories improves empirical performance at the cost of effective sample size. Empirically, our method consistently outperforms multiple baselines. Analysis reveals it upweights synthetic trajectories that align with the real data distribution and exhibit higher qualitative merit.
Large language models are increasingly deployed in multi-turn interactive settings where users or environments can iteratively provide lightweight feedback. Unfortunately, optimizing such behavior presents a sharp dilemma in practice: online reinforcement learning is able to effectively address multi-turn dynamics but is prohibitively expensive due to the cost of generating full correction trajectories at every update, whereas offline supervised fine-tuning (SFT) is efficient but suffers from distribution shift and behavioral collapse. To this end, we novelly propose DRIFT (Decoupled Rollouts and Importance-Weighted Fine-Tuning), a framework that operationalizes the theoretical insight that the KL-regularized RL objective is equivalent to importance-weighted supervised learning. DRIFT decouples rollout from optimization by sampling offline interaction trajectories from a fixed reference policy, deriving return-based importance weights, and optimizing the policy via weighted SFT on the resulting dataset. Empirically, we demonstrate that DRIFT matches or exceeds the performance of multi-turn reinforcement learning baselines while maintaining the training efficiency and simplicity of standard supervised fine-tuning. Code is available at https://github.com/2020-qqtcg/DRIFT.
The standard LLM training pipeline applies reinforcement learning (RL) only after pre-training and supervised fine-tuning (SFT). We question this status quo by training a LLM from scratch and applying RL, SFT, and SFT followed by RL directly to intermediate pre-training checkpoints. We find that RL is effective very early, and often matches the full SFT→RL pipeline early as well. Through experiments on harder problems, we find that targeted pre-training data composition is a strong lever for RL effectiveness, even more so than model scale. Beyond reasoning accuracy, applying RL directly to base checkpoints expands the model's distribution; the sharpening effect reported in recent work arises only when RL follows SFT. The general capabilities of the model remain essentially unchanged by RL, while they degrade following SFT. Finally, we merge RL and SFT objectives by parallel averaging, which outperforms across all other training methods discussed, across metrics, while preserving general capabilities. Together, these results suggest that LLM training might benefit from an expanded use of RL.
Reinforcement learning for LLM agents involves two distinct optimization di- mensions: how environment feedback is exploited within a trajectory, and how complete trajectories are aggregated across a batch. We formulate these dimen- sions as Intra-Trajectory Feedback Attribution and Inter-Trajectory Objec- tive Aggregation, and introduce BATON (Bayesian Attribution and Trajectory Objective Normalization), a dual-axis policy optimization framework. BATON instantiates the first axis with Bayesian Feedback Attribution, which constructs a feedback-conditioned posterior over sampled actions, and the second with Trajec- tory Mass Normalization (TMN), which assigns equal optimization mass to com- plete trajectories. Experiments with GRPO and GiGPO on ALFWorld, WebShop, and SearchQA show that both axes provide independent gains and that their combi- nation consistently achieves the strongest overall performance across model scales.