Optimizing Temperature for Language Models with Multi-Sample Inference

Weihua Du, Yiming Yang, Sean Welleck
Proceedings of the 42nd International Conference on Machine Learning, PMLR 267:14648-14668, 2025.

Abstract

Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature’s role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.

Cite this Paper

BibTeX
@InProceedings{pmlr-v267-du25f, title = {Optimizing Temperature for Language Models with Multi-Sample Inference}, author = {Du, Weihua and Yang, Yiming and Welleck, Sean}, booktitle = {Proceedings of the 42nd International Conference on Machine Learning}, pages = {14648--14668}, year = {2025}, editor = {Singh, Aarti and Fazel, Maryam and Hsu, Daniel and Lacoste-Julien, Simon and Berkenkamp, Felix and Maharaj, Tegan and Wagstaff, Kiri and Zhu, Jerry}, volume = {267}, series = {Proceedings of Machine Learning Research}, month = {13--19 Jul}, publisher = {PMLR}, pdf = {https://raw.githubusercontent.com/mlresearch/v267/main/assets/du25f/du25f.pdf}, url = {https://proceedings.mlr.press/v267/du25f.html}, abstract = {Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature’s role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.} }
Endnote
%0 Conference Paper %T Optimizing Temperature for Language Models with Multi-Sample Inference %A Weihua Du %A Yiming Yang %A Sean Welleck %B Proceedings of the 42nd International Conference on Machine Learning %C Proceedings of Machine Learning Research %D 2025 %E Aarti Singh %E Maryam Fazel %E Daniel Hsu %E Simon Lacoste-Julien %E Felix Berkenkamp %E Tegan Maharaj %E Kiri Wagstaff %E Jerry Zhu %F pmlr-v267-du25f %I PMLR %P 14648--14668 %U https://proceedings.mlr.press/v267/du25f.html %V 267 %X Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature’s role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.
APA
Du, W., Yang, Y. & Welleck, S.. (2025). Optimizing Temperature for Language Models with Multi-Sample Inference. Proceedings of the 42nd International Conference on Machine Learning, in Proceedings of Machine Learning Research 267:14648-14668 Available from https://proceedings.mlr.press/v267/du25f.html.

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