Eliciting Numerical Predictive Distributions of LLMs Without Autoregression
Organizations: Department of Applied Mathematics and Theoretical Physics, University of Cambridge
Abstract
Large Language Models (LLMs) have recently been successfully applied to regression tasks -- such as time series forecasting and tabular prediction -- by leveraging their in-context learning abilities. However, their autoregressive decoding process may be ill-suited to continuous-valued outputs, where obtaining predictive distributions over numerical targets requires repeated sampling, leading to high computational cost and inference time. In this work, we investigate whether distributional properties of LLM predictions can be recovered without explicit autoregressive generation. To this end, we study a set of regression probes trained to predict statistical functionals (e.g., mean, median, quantiles) of the LLM's numerical output distribution directly from its internal representations. Our results suggest that LLM embeddings carry informative signals about summary statistics of their predictive distributions, including the numerical uncertainty. This investigation opens up new questions about how LLMs internally encode uncertainty in numerical tasks, and about the feasibility of lightweight alternatives to sampling-based approaches for uncertainty-aware numerical predictions.
Figures & tables
| , target | (ours) | |||
|---|---|---|---|---|
| mean | 0.006 | 0.256 | 0.035 | 0.085 |
| median | 0.006 | 0.260 | 0.041 | 0.087 |
| greedy | 0.015 | 0.273 | 0.065 | 0.109 |
| 50% | 90% | 95% | |
|---|---|---|---|
| 1.0 | 52.0 ± 0.4 | 90.9 ± 0.3 | 95.5 ± 0.2 |
| 10.0 | 52.7 ± 0.5 | 91.3 ± 0.3 | 96.1 ± 0.2 |
| 1000.0 | 51.4 ± 0.3 | 90.7 ± 0.3 | 95.7 ± 0.2 |
| 10000.0 | 48.2 ± 0.3 | 90.5 ± 0.2 | 95.4 ± 0.2 |
| 50% | 90% | 95% | |
|---|---|---|---|
| Model | |||
| Real (all) | 48.8 ± 0.1 | 88.5 ± 0.1 | 94.3 ± 0.1 |
| Real (5 fold) | 43.4 ± 0.2 | 82.1 ± 0.2 | 89.4 ± 0.2 |
| Synth | 30.2 ± 0.3 | 67.7 ± 0.4 | 77.3 ± 0.4 |
Appendix figures & tables15 assets
Supplementary material from the paper’s appendix.
Appendix
| Specification | NC24rs_v3 | NC80adis_H100_v5 |
|---|---|---|
| vCPUs | 24 | 80 |
| System Memory (GiB) | 448 | 640 |
| GPU Model | 4× NVIDIA Tesla V100 | 2× NVIDIA H100 NVL |
| GPU Memory (per GPU) | 16 GiB | 94 GiB |
| Total GPU Memory | 64 GiB | 188 GiB |
| GPU Architecture | Volta | Hopper |
| Function name | Formula | -range |
|---|---|---|
| sin | [0.5, 6.0] | |
| linear_sin | [0.5, 6.0] | |
| sinc | [0.05, 0.2] | |
| xsine | [0.5, 1.3] | |
| beat | [0.1, 6.0] | |
| gaussian_wave | [0.01, 0.1] |
| Hyperparameter | Description | Default Value |
|---|---|---|
| min_mag | Minimum exponent for base-10 magnitude scaling (as used by | |
| max_mag | Maximum exponent for base-10 magnitude scaling | ) |
| alpha | Weight for classification loss component | 100.0 |
| beta | Weight for regression loss component | 50.0 |
| K | Top- exponents taken into consideration (see Equation 4) | 3 |
| hidden_layers | Number of hidden layers in feature extractor | 1 |
| Hyperparameter | Description | Default Value |
|---|---|---|
| learning_rate | Learning rate for the optimiser | |
| weight_decay | L2 regularization weight | 1.0 |
| scheduler_step_size | Learning rate scheduler step size | 100 |
| scheduler_gamma | Learning rate scheduler gamma | 0.5 |
| batch_size | Number of samples per training batch | 1024 |
| max_epochs | Number of training epochs | 600 |
| predicted value | MFP probe (ours) | MLP probe (log-scaling) | MLP probe (no log-scaling) |
|---|---|---|---|
| greedy | 0.0150 | 0.0400 | 0.0255 |
| mean | 0.0061 | 0.0091 | 0.0092 |
| median | 0.0058 | 0.0101 | 0.0100 |
| samples | 1 | 5 | 10 | 20 | 50 | 100 |
|---|---|---|---|---|---|---|
| time (s) | 1.59 0.08 | 1.62 0.07 | 1.71 0.07 | 1.83 0.07 | 2.35 0.08 | 3.28 0.08 |
| quantile level | 0.025 | 0.05 | 0.25 | 0.5 | 0.75 | 0.95 | 0.97 |
|---|---|---|---|---|---|---|---|
| dataset | |||||||
| 1.0 | 0.58 | 0.40 | 0.16 | 0.05 | 0.15 | 0.40 | 0.60 |
| 10.0 | 3.12 | 2.16 | 0.45 | 0.28 | 0.49 | 1.91 | 3.26 |
| 1000.0 | 111.16 | 61.54 | 14.83 | 12.10 | 14.30 | 46.04 | 115.71 |
| 10000.0 | 843.11 | 380.06 | 119.80 | 100.41 | 118.90 | 483.33 | 1172.27 |
LLM Uncertainty Estimation
Large language model uncertainty estimation measures when outputs may be wrong, ambiguous, or unreliable to guide safer decisions.
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