# Beyond Post-Hoc Temperature Scaling: Bilevel Optimization for LLM Calibration

arXiv: https://arxiv.org/abs/2608.07419 · HTML: https://mlsanity.com/paper/2608.07419/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 70 of its 79 references that are in the map.
- First posted on arXiv 7 Aug 2026.

## Builds on (most cited first, 30 of 70)

- [GPT-4 Technical Report](https://mlsanity.com/paper/2303.08774/) (2023)
- [Training language models to follow instructions with human feedback](https://mlsanity.com/paper/2203.02155/) (2022)
- [Proximal Policy Optimization Algorithms](https://mlsanity.com/paper/1707.06347/) (2017)
- [Llama 2: Open Foundation and Fine-Tuned Chat Models](https://mlsanity.com/paper/2307.09288/) (2023)
- [Direct Preference Optimization: Your Language Model is Secretly a Reward Model](https://mlsanity.com/paper/2305.18290/) (2023)
- [Measuring Massive Multitask Language Understanding](https://mlsanity.com/paper/2009.03300/) (2020)
- [PaLM: Scaling Language Modeling with Pathways](https://mlsanity.com/paper/2204.02311/) (2022)
- [On Calibration of Modern Neural Networks](https://mlsanity.com/paper/1706.04599/) (2017)
- [Think you have Solved Question Answering? Try ARC, the AI2 Reasoning Challenge](https://mlsanity.com/paper/1803.05457/) (2018)
- [HellaSwag: Can a Machine Really Finish Your Sentence?](https://mlsanity.com/paper/1905.07830/) (2019)
- [QLoRA: Efficient Finetuning of Quantized LLMs](https://mlsanity.com/paper/2305.14314/) (2023)
- [Mistral 7B](https://mlsanity.com/paper/2310.06825/) (2023)
- [TriviaQA: A Large Scale Distantly Supervised Challenge Dataset for Reading Comprehension](https://mlsanity.com/paper/1705.03551/) (2017)
- [PIQA: Reasoning about Physical Commonsense in Natural Language](https://mlsanity.com/paper/1911.11641/) (2019)
- [Sparks of Artificial General Intelligence: Early experiments with GPT-4](https://mlsanity.com/paper/2303.12712/) (2023)
- [Can a Suit of Armor Conduct Electricity? A New Dataset for Open Book Question Answering](https://mlsanity.com/paper/1809.02789/) (2018)
- [Language Models (Mostly) Know What They Know](https://mlsanity.com/paper/2207.05221/) (2022)
- [Calibrate Before Use: Improving Few-Shot Performance of Language Models](https://mlsanity.com/paper/2102.09690/) (2021)
- [When Not to Trust Language Models: Investigating Effectiveness of Parametric and Non-Parametric Memories](https://mlsanity.com/paper/2212.10511/) (2022)
- [Tulu 3: Pushing Frontiers in Open Language Model Post-Training](https://mlsanity.com/paper/2411.15124/) (2024)
- [When Does Label Smoothing Help?](https://mlsanity.com/paper/1906.02629/) (2019)
- [A General Theoretical Paradigm to Understand Learning from Human Preferences](https://mlsanity.com/paper/2310.12036/) (2023)
- [Just Ask for Calibration: Strategies for Eliciting Calibrated Confidence Scores from Language Models Fine-Tuned with Human Feedback](https://mlsanity.com/paper/2305.14975/) (2023)
- [Discovering Latent Knowledge in Language Models Without Supervision](https://mlsanity.com/paper/2212.03827/) (2022)
- [Teaching Models to Express Their Uncertainty in Words](https://mlsanity.com/paper/2205.14334/) (2022)
- [MedMCQA : A Large-scale Multi-Subject Multi-Choice Dataset for Medical domain Question Answering](https://mlsanity.com/paper/2203.14371/) (2022)
- [How Can We Know When Language Models Know? On the Calibration of Language Models for Question Answering](https://mlsanity.com/paper/2012.00955/) (2020)
- [2 OLMo 2 Furious](https://mlsanity.com/paper/2501.00656/) (2024)
- [From r to Q^*: Your Language Model is Secretly a Q-Function](https://mlsanity.com/paper/2404.12358/) (2024)
- [Nash Learning from Human Feedback](https://mlsanity.com/paper/2312.00886/) (2023)

## Abstract (arXiv)

Preference alignment often makes large language models (LLMs) overconfident and poorly calibrated. Traditional post-hoc temperature scaling is inherently domain-dependent: a temperature fitted on one domain does not generalize across domains. This motivates us to modify model parameters during training to improve calibration. We propose maximizing the entropy of predictive distributions as the calibration objective, which directly targets overconfidence by discouraging overly concentrated predictions. Inspired by temperature scaling, we realize this through a bilevel optimization formulation, where the lower level trains the model under a parametric loss and the upper level selects loss hyperparameters to maximize entropy. To make the framework practical at LLM scale, we adopt an efficient first-order approximation that avoids explicit second-order computation. Across both multiple-choice and open-ended generative question answering, experiments demonstrate that our method yields well-calibrated LLMs with particular advantages in out-of-domain generalization.