Organizations: REVST · Learning & Reasoning Group Vrije Universiteit Amsterdam
Abstract
We study the problem of predicting numeric labels that are constrained to the integers or to a subrange of the integers. For example, the number of up-votes on social media posts, or the number of bicycles available at a public rental station. While it is possible to model these as continuous values, and to apply traditional regression, this approach changes the underlying distribution on the labels from discrete to continuous. Discrete distributions have certain benefits, which leads us to the question whether such integer labels can be modeled directly by a discrete distribution, whose parameters are predicted from the features of a given instance. Moreover, we focus on the use case of output distributions of neural networks, which adds the requirement that the parameters of the distribution be continuous so that backpropagation and gradient descent may be used to learn the weights of the network. We investigate several options for such distributions, some existing and some novel, and test them on a range of tasks, including tabular learning, sequential prediction and image generation. We find that overall the best performance comes from two distributions: Bitwise, which represents the target integer in bits and places a Bernoulli distribution on each, and a discrete analogue of the Laplace distribution, which uses a distribution with exponentially decaying tails around a continuous mean.
Implicit neural representations (INRs) offer compact encoding of volumes, but as lossy approximators, inevitably have prediction errors. We consider INRs that can simultaneously encode relative error scales by predicting distributions using tools from uncertainty estimation. Typically, uncertainty estimation relies on computationally expensive approaches or on predefined parametric assumptions about the predictive distribution (e.g., Gaussian). In this study, we propose a lightweight method that reformulates regression-based INR training as a classification task by discretizing continuous targets into bins, enabling flexible distribution modeling to capture complex multimodal behaviors. We analyze the trade-off between regression and classification for INR training and demonstrate that the classification setting tends to achieve high reconstruction quality and competitive error awareness through uncertainty estimation, compared to regression-based approaches.
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.
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.