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Do Not Train Away Uncertainty: Early Uncertainty Anchored Calibration

Yutong Xie, Jiawei Tang, Zhenglin Hua, Yuxiang Ma, Si Qin, Yaxin Hou, Hui Liu, Junhui Hou, Yuheng Jia

arXiv:2610.12048v1cs.CV

TL;DR

Deep neural networks and large language models can become overconfident during training or fine-tuning, even as accuracy improves. EUA-Cal uses early-model predictive and feature uncertainty as calibration anchors. Across image classification and multiple-choice question answering on eight models, it improves calibration while maintaining competitive accuracy.

  • Problem

    Deep neural networks and large language models can become overconfident during training or fine-tuning, with confidence exceeding accuracy and potentially reducing reliability in high-risk applications.

    Source: §1 · p. 1
  • Method

    EUA-Cal uses early prediction regularization and prototype structure regularization to preserve predictive uncertainty and exploit uncertainty in the early feature space.

    Source: §1 · pp. 2–3
  • Results

    Across image classification and multiple-choice question answering on eight models, EUA-Cal consistently improves calibration while maintaining competitive accuracy.

    Source: §5 · p. 10
  • Takeaways & Limitations

    The findings support using uncertainty retained by early models as an anchor for calibration rather than losing it during continued training.

    Source: §1 · p. 3

Abstract

from arXiv · show

Deep neural networks, including large language models, have achieved remarkable performance across various tasks. However, they are prone to overconfidence during training or fine-tuning. In this work, we observe a consistent phenomenon across different models that the early model is better calibrated, while later training or fine-tuning yields marginal accuracy gains but substantially increases calibration errors. Our analysis suggests that the early model retains uncertainty awareness in both its predictions and features, which is gradually lost with continued training. To avoid training away this uncertainty awareness, we propose \textbf{EUA-Cal}, a novel method that exploits the \textbf{E}arly model as an \textbf{U}ncertainty \textbf{A}nchor for \textbf{Cal}ibration. EUA-Cal introduces early prediction regularization to preserve early predictive uncertainty and prototype structure regularization to exploit uncertainty reflected in the early feature space, jointly mitigating overconfidence. Extensive experiments on image classification and multiple-choice question answering across eight diverse models demonstrate that EUA-Cal outperforms state-of-the-art calibration methods.

1 INTRODUCTION

The introduction argues that continued training often brings modest accuracy gains while calibration worsens as predictive and feature uncertainty fades. It presents EUA-Cal as a way to preserve early-model uncertainty and reports improved calibration across diverse architectures.

1 INTRODUCTION

  • Overconfidence occurs when predicted confidence exceeds actual accuracy, underestimating predictive uncertainty and potentially reducing reliability in high-risk applications.The introduction identifies autonomous driving and medical diagnosis as examples.Source: §1 · p. 1
  • Across three models, ECE reaches its minimum early in training or fine-tuning, then rises while accuracy improves only marginally.The authors attribute the later calibration decline to uncertainty awareness being gradually lost.Source: §1 · pp. 2–3
  • At ResNet-50 epoch 60, clearer clusters coexist with low-confidence features near their boundaries; by epoch 200, those features nearly disappear as ECE rises.Epoch 60 has lower ECE than epochs 40 and 200, while epoch 200 has the highest accuracy.Source: §1 · p. 2
  • EUA-Cal uses the early model as an uncertainty anchor, combining prediction regularization with prototype-structure regularization to preserve uncertainty and mitigate overconfidence.The early model is selected by stopping training at a validation-selected epoch.Source: §1 · pp. 2–3
  • EUA-Cal outperforms state-of-the-art calibration methods across diverse deep-network and Transformer architectures.Experiments cover eight models and six datasets.Source: §1 · p. 3

2 RELATED WORK

Related work reviews calibration techniques for deep neural networks and fine-tuned language models. It notes that generalizability across network structures remains unclear for some structure-specific methods.

2 RELATED WORK

  • DNN calibration approaches include post-hoc adjustment, loss and regularization designs, and mixup-based methods; post-hoc methods can perform poorly under distribution shifts.The section also describes methods tailored to specific network structures, whose cross-structure generalizability remains unclear.Source: §2 · p. 3
  • Some calibration methods target specific network structures, but their generalizability across structures remains unclear.The related work also describes EUA-Cal as applicable to fine-tuned LLMs and reports superior performance to compared methods.Source: §2 · p. 3
  • For fine-tuned LLMs, methods include MC-Dropout and Deep Ensemble, which require multiple inferences, plus DNN-derived methods such as Mixup and label smoothing.The section also discusses calibration by distillation and IB-EDL.Source: §2 · p. 3

3 METHODOLOGY

The methodology formalizes K-class model predictions and uses a frozen early checkpoint as an uncertainty anchor. EUA-Cal combines prediction-level and feature-prototype regularization to preserve uncertainty during continued training.

3.1 PROBLEM STATEMENT

  • The setup is K-class classification: a model maps each input to logits, then class probabilities, a predicted label, and a confidence.The model is represented as a feature extractor followed by a linear classifier.Source: §3.1 · pp. 3–4

3.2 EARLY UNCERTAINTY ANCHORED CALIBRATION

  • EUA-Cal freezes an early model and uses its predictions for EPR and confidence-weighted feature prototypes for PSR.The early checkpoint is selected on validation sets; the two regularizers jointly preserve uncertainty during training or fine-tuning.Source: §3.2 · pp. 4–5, Figure 2 · p. 4
  • EPR uses KL divergence between frozen early and current predictions, constraining confidence growth on early-uncertain samples while preserving confident predictions for certain samples.Under vanilla CE, samples identified as uncertain early gradually become highly confident; the method prevents this overconfidence.Source: §3.2 · pp. 4–5
  • EUA-Cal’s prototype-prediction ECE keeps decreasing, while vanilla-model prototype ECE reaches its minimum at epoch 60 and rises later.The comparison is for ResNet-50 on CIFAR-10.Source: Figure 3 · p. 5, §3.2 · p. 6
  • PSR builds fixed class prototypes from confidence-weighted early features, converts feature-to-prototype similarities into class distributions, and applies KL divergence to current predictions.The frozen prototypes prevent structural targets from drifting during training.Source: §3.2 · pp. 5–6

4 EXPERIMENTS

Across image classification and question answering, EUA-Cal improves calibration over competing methods, including under distribution shift, while preserving competitive accuracy. Ablations support combining early-prediction and feature-structure regularization.

4.1 EXPERIMENTAL SETUP

  • Experiments cover five image-classification models and three LLMs across image-classification and multiple-choice question-answering datasets, evaluating ACC, ECE, and AECE.The setup also evaluates OOD detection using AUROC and FPR95.Source: §4.1 · p. 6

4.2 CALIBRATION RESULTS

  • EUA-Cal achieves the lowest ECE and AECE on CIFAR-10, CIFAR-100, and Tiny-ImageNet while maintaining competitive accuracy.It also achieves the best average rank among the compared methods.Source: §4.2 · p. 7, Table 1 · p. 7
  • On SciQ, ARC-C, and ARC-E, EUA-Cal has the lowest ECE and AECE, reducing them by 16.24% and 47.92% on average versus each dataset’s second-best method.It also achieves the best average rank; further experiments report consistent improvements across other architectures.Source: §4.2 · p. 7, Table 2 · p. 7

4.3 CALIBRATION UNDER DISTRIBUTION SHIFT

  • On CIFAR-10-C and CIFAR-100-C, EUA-Cal has lower ECE than most methods across shift levels; OOD detection improves over vanilla by 1.31% AUROC and 1.79% lower FPR95 on average.The corruption evaluation uses ResNet-50 trained on CIFAR-10 and CIFAR-100.Source: §4.3 · p. 8, Figure 4 · p. 8, Table 4 · p. 9
  • When Llama3-8B is fine-tuned on ARC-E and evaluated on ARC-C, SciQ, and CSQA, EUA-Cal reduces AECE by 30.94% on average versus the second-best method.It has the lowest AECE on all three datasets and the lowest ECE on ARC-C and CSQA, ranking second on SciQ.Source: §4.3 · p. 8, Table 3 · p. 8

4.4 FURTHER ANALYSIS

  • Combining EPR and PSR gives the lowest ECE on each dataset; EPR reduces ECE across all six datasets, while PSR improves calibration on most.A late anchor can have slightly higher accuracy but substantially worse calibration than the early anchor.Source: §4.4 · pp. 8–9, Table 5 · p. 9
  • For ResNet-50 and Llama3-8B, α and β values from [0.1, 0.3] consistently improve calibration; τ is selected by minimizing training-set NLL.The method maintains relatively stable accuracy and competitive calibration across different τ settings.Source: §4.4 · p. 9, Figure 5 · p. 9

5 CONCLUSION

The paper reports that early models are better calibrated, while continued training often brings modest accuracy gains alongside worse calibration. EUA-Cal uses early-model uncertainty as an anchor and improves calibration across image classification and question answering while maintaining competitive accuracy.

  • Across models, early models are better calibrated, while continued training often yields modest accuracy gains and worsens calibration.EUA-Cal uses the early model as an uncertainty anchor through EPR and PSR.Source: §5 · p. 10
  • EUA-Cal applies EPR and PSR to leverage uncertainty awareness retained by the early model.Source: §5 · p. 10
  • Across eight models, experiments on image classification and multiple-choice question answering show improved calibration with competitive accuracy.Source: §5 · p. 10

A.1 DATASETS

The evaluation uses three image-classification datasets and four multiple-choice question-answering datasets. The appendix describes their sizes, splits, and question formats.

  • Image classification uses CIFAR-10, CIFAR-100, and Tiny-ImageNet; question answering uses SciQ, ARC-C, ARC-E, and CommonsenseQA.Source: §A.1 · p. 14
  • CIFAR-10 and CIFAR-100 each contain 60,000 32 × 32 RGB images; each uses 45,000 training, 5,000 validation, and 10,000 test images.The datasets contain 10 and 100 classes, respectively.Source: §A.1 · p. 14
  • Tiny-ImageNet has 200 classes and 64 × 64 images, with 90,000 training, 10,000 validation, and 10,000 labeled test images.Source: §A.1 · p. 14
  • SciQ contains 13,679 four-choice science questions, using official splits of 11,679/1,000/1,000; questions and choices are input, with the correct answer as label.Source: §A.1 · p. 14
  • ARC-C contains challenging grade-school science questions and ARC-E the remainder; their official train/validation/test splits are 1,119/299/1,172 and 2,251/570/2,376.Source: §A.1 · p. 14
  • CommonsenseQA has 12,102 five-choice everyday-reasoning questions and official train/development/test splits of 9,741/1,221/1,140; evaluation uses the labeled development set.Test labels are unavailable.Source: §A.1 · p. 14

A.2 TRAINING DETAILS

The appendix specifies image-model training, LLM fine-tuning, baseline settings, and EUA-Cal hyperparameters and anchor-selection rules.

A.2 TRAINING DETAILS

  • Image experiments use five architectures; most train with SGD, while ViT-B/32 uses ImageNet-1K initialization and separate CIFAR settings.CIFAR models train for 200 epochs and Tiny-ImageNet models for 100; ViT-B/32 on CIFAR uses batch size 64, learning rate 0.01 with cosine decay, no weight decay, and gradient clipping norm 1.Source: §A.2 · p. 14
  • Llama3-8B, Llama3.1-8B, and Qwen3-8B-Base are fine-tuned with LoRA; adapters use rank 8, scaling 16, dropout 0.1, and learning rate 5 × 10^-5.Training uses cosine annealing, bfloat16 precision, and a maximum token length of 256 for other datasets.Source: §A.2 · p. 14

A.3 HYPERPARAMETER SETTINGS

  • Baseline settings include LS α = 0.05, FL γ = 2, and Distillation weight 1.0 with two teachers; the remaining listed methods also receive specified hyperparameters.The appendix specifies additional settings for CRL, MbLS, BalCAL, CSAM, Mixup, MIT, PLP, MaC-Cal, EDL, and IB-EDL.Source: §A.3 · pp. 14–15
  • Figure 6 visualizes Llama3-8B and Qwen3-8B-Base SciQ features across fine-tuning steps, with lighter shades marking lower-confidence features.Source: Figure 6 · p. 15
  • EUA-Cal uses α and β from [0.1, 0.3], selects τ by minimizing training-sample prototype-prediction NLL, and anchors image models at specified epochs.Image anchors are epoch 60 for CIFAR, epoch 40 for Tiny-ImageNet, and epoch 5 for ViT-B/32; LLM anchors are pretrained models or models after 5–15 fine-tuning steps.Source: §A.3 · p. 15

A.4 EVALUATION PROTOCOLS

The evaluation reports ECE and AECE for confidence calibration, with lower values indicating better calibration. ECE averages accuracy–confidence differences across equally spaced confidence bins.

A.4 EVALUATION PROTOCOLS

  • ECE measures the expected difference between accuracy and confidence.It is defined as E[|P(ŷᵢ = yᵢ|p̂ᵢ) − p̂ᵢ|].Source: §A.4 · p. 15
  • ECE is a weighted average of the accuracy–confidence difference in each of M equally spaced confidence bins.Each bin’s contribution is weighted by its share of the N samples.Source: §A.4 · p. 15
  • AECE uses adaptive confidence bins with equal sample sizes; both calibration metrics use 20 bins and are reported as mean ± standard deviation over three random seeds.Lower ECE and AECE indicate better calibration.Source: §A.4 · p. 15

B VISUALIZATIONS

During LLM fine-tuning, later features form more distinct class clusters as early low-confidence samples become less numerous. Accuracy rises, but ECE also increases for both models.

B VISUALIZATIONS

  • Later LLM features form more distinct class clusters, while the number of visible low-confidence samples decreases.The authors interpret this pattern as loss of the early model’s feature uncertainty awareness.Source: B VISUALIZATIONS · p. 16
  • Llama3-8B accuracy rises from 93.00% to 93.40%, while ECE rises from 2.82% to 6.33%.The authors associate the pattern with uncertainty awareness in features being lost during later training.Source: B VISUALIZATIONS · p. 16
  • Qwen3-8B-Base accuracy rises from 95.30% to 96.70%, while ECE rises from 2.37% to 3.14%.The authors associate the pattern with uncertainty awareness in features being lost during later training.Source: B VISUALIZATIONS · p. 16

C.1 CALIBRATION ON ADDITIONAL MODEL ARCHITECTURE

EUA-Cal performs strongly across additional image-classification models and question-answering models. The reported anchor and hyperparameter analyses indicate that calibration depends on anchor selection, while improvements are robust across most α and β settings.

C.1 CALIBRATION ON ADDITIONAL MODEL ARCHITECTURE

  • EUA-Cal achieves the lowest ECE on every dataset across four additional image models and the best average rank on Llama3.1-8B and Qwen3-8B-Base.It also has the lowest AECE in eight of nine image settings and five of six question-answering settings; on ViT-B/32, ECE falls from 1.92% to 0.48% on CIFAR-10 and from 9.56% to 0.89% on CIFAR-100 versus the vanilla model.Source: §C.1 · p. 16, Table 9 · p. 17, Table 10 · p. 18

C.2 IMPACT OF ANCHOR MODEL SELECTION

  • The lowest-ECE anchors are epoch 60 for CIFAR-10 and CIFAR-100 and pretrained Llama3-8B for ARC-C and ARC-E; later anchors raise ECE with only slight accuracy change.Epoch 40 yields lower accuracy, so anchor selection should balance classification and calibration performance rather than simply choose the earliest model.Source: §C.2 · pp. 16–17, Figure 7 · p. 17

C.3 IMPACT OF HYPERPARAMETERS

  • Across most α and β settings, EUA-Cal improves calibration on CIFAR-100 and ARC-C while accuracy remains relatively stable.The authors describe this pattern as robustness to these hyperparameters.Source: §C.3 · p. 17, Figure 8 · p. 17
  • As τ varies across four datasets, accuracy remains relatively stable while ECE varies more; choosing τ by minimizing training-set NLL gives competitive ECE without a separate τ search.The datasets are CIFAR-10, CIFAR-100, ARC-C, and ARC-E.Source: §C.3 · p. 17, Figure 9 · p. 18
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