Injecting Distributional Awareness into MLLMs via Reinforcement Learning for Deep Imbalanced Regression

Large language models can predict real-valued quantities from heterogeneous inputs such as text, code, and molecular strings, but most training objectives score each decoded floating-point number independently, improving point estimates without ensuring calibrated predictive distributions. This limits applications requiring candidate ranking or uncertainty estimation. We introduce Distribution-Aware Reward, an on-policy reinforcement learning objective whose main contribution is to train language models to produce better predictive distributions for regression tasks, rather than only optimizing individual decoded outputs against scalar targets. Our method treats multiple decoded samples as an empirical predictive distribution, evaluates it with the Continuous Ranked Probability Score, and assigns leave-one-out credit based on each rollout's marginal contribution to distribution quality, rewarding predictions that are both accurate and appropriately dispersed. We evaluate our method on a controlled Gaussian-mixture task, code performance prediction, and molecular property prediction from SMILES strings. Across tasks, our method improves over supervised fine-tuning and pointwise reinforcement learning baselines, with strong rank-correlation gains, including a 6-point Spearman improvement on KBSS. On MoleculeNet, it uses only SMILES strings yet remains competitive with strong graph-based and 3D molecular models. Further analyses show that our method mitigates rollout diversity collapse and improves uncertainty diagnostics, suggesting that directly optimizing predictive distributions makes language model regression more robust and better calibrated.

Reinforcement learning from human feedback (RLHF) has evolved to be one of the main methods for fine-tuning large language models (LLMs). However, existing RLHF methods are non-robust, and their performance deteriorates if the downstream task differs significantly from the preference dataset used in fine-tuning. In order to mitigate this problem, we introduce a distributionally robust RLHF for fine-tuning LLMs. In particular, our goal is to ensure that a fine-tuned model retains its performance even when the distribution of prompts significantly differs from the distribution encountered during fine-tuning. We formulate distributionally robust optimization (DRO) version of two popular fine-tuning methods -- (1) reward-based RLHF and (2) reward-free DPO (direct preference optimization). We propose a minibatch gradient descent based algorithms for both of them, and theoretically prove convergence guarantees for the algorithms. Subsequently, we evaluate our algorithms on an out-of-distribution (OOD) task by first training the model on the Unified-Feedback dataset and evaluating its performance on two different datasets. The experimental results show that our robust training improves the accuracy of the learned reward models on average, and markedly on some tasks, such as reasoning. Furthermore, we show that the robust versions of policy optimization methods, similarly improve performance on OOD tasks.

Many applications of LLM-based text regression require predicting a full conditional distribution rather than a single point value. We study distributional regression under empirical-quantile supervision, where each input is paired with multiple observed quantile outcomes, and the target distribution is represented by a dense grid of quantiles. We address two key limitations of current approaches: the lack of local grounding for distribution estimates, and the reliance on shared representations that create an indirect bottleneck between inputs and quantile outputs. In this paper, we introduce Quantile Token Regression, which, to our knowledge, is the first work to insert dedicated quantile tokens into the input sequence, enabling direct input-output pathways for each quantile through self-attention. We further augment these quantile tokens with retrieval, incorporating semantically similar neighbor instances and their empirical distributions to ground predictions with local evidence from similar instances. We also provide the first theoretical analysis of loss functions for quantile regression, clarifying which distributional objectives each optimizes. Experiments on the Inside Airbnb and StackSample benchmark datasets with LLMs ranging from 1.7B to 14B parameters show that quantile tokens with neighbors consistently outperform baselines (~4 points lower MAPE and 2x narrower prediction intervals), with especially large gains on smaller and more challenging datasets where quantile tokens produce substantially sharper and more accurate distributions.