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Uncertainties of Latent Representations in Computer Vision (2408.14281v1)

Published 26 Aug 2024 in cs.LG, cs.AI, and cs.CV

Abstract: Uncertainty quantification is a key pillar of trustworthy machine learning. It enables safe reactions under unsafe inputs, like predicting only when the machine learning model detects sufficient evidence, discarding anomalous data, or emitting warnings when an error is likely to be inbound. This is particularly crucial in safety-critical areas like medical image classification or self-driving cars. Despite the plethora of proposed uncertainty quantification methods achieving increasingly higher scores on performance benchmarks, uncertainty estimates are often shied away from in practice. Many machine learning projects start from pretrained latent representations that come without uncertainty estimates. Uncertainties would need to be trained by practitioners on their own, which is notoriously difficult and resource-intense. This thesis makes uncertainty estimates easily accessible by adding them to the latent representation vectors of pretrained computer vision models. Besides proposing approaches rooted in probability and decision theory, such as Monte-Carlo InfoNCE (MCInfoNCE) and loss prediction, we delve into both theoretical and empirical questions. We show that these unobservable uncertainties about unobservable latent representations are indeed provably correct. We also provide an uncertainty-aware representation learning (URL) benchmark to compare these unobservables against observable ground-truths. Finally, we compile our findings to pretrain lightweight representation uncertainties on large-scale computer vision models that transfer to unseen datasets in a zero-shot manner. Our findings do not only advance the current theoretical understanding of uncertainties over latent variables, but also facilitate the access to uncertainty quantification for future researchers inside and outside the field, enabling straightforward but trustworthy machine learning.

Summary

  • The paper introduces a novel method to embed uncertainty estimates into latent representations of pretrained computer vision models.
  • It leverages MCInfoNCE and loss prediction techniques to produce provably correct aleatoric uncertainty measures from probabilistic embeddings.
  • The approach generalizes across datasets with lightweight pretraining, enhancing model reliability in safety-critical tasks like autonomous driving and medical imaging.

Pretrained Visual Uncertainties

The paper at hand addresses the critical challenge of making uncertainty estimates accessible alongside representations in pretrained computer vision models. This development holds considerable significance for the trustworthiness and deployability of machine learning systems, particularly in safety-critical applications such as autonomous vehicles and medical imaging.

Context and Motivation

Uncertainty quantification underpins trustworthy machine learning, enabling systems to respond safely and reliably under uncertain inputs. Despite various methods of uncertainty quantification that perform well on benchmarks, their practical deployment remains limited. Many machine learning projects use pretrained models that do not come with uncertainty estimates, implying that practitioners must train these uncertainties themselves—a task that is both difficult and resource-intensive.

This thesis proposes a novel approach to make uncertainty estimates easily accessible by integrating them into the latent representation vectors of pretrained computer vision models. The methodology leverages approaches rooted in probability and decision theory, such as Monte-Carlo InfoNCE (MCInfoNCE) and loss prediction, and answers both theoretical and empirical questions. The research demonstrates that the unobservable uncertainties over latent representations are provably correct and introduces the uncertainty-aware representation learning (URL) benchmark to compare these against observable ground-truths. The culmination of these efforts is the pretraining of lightweight representation uncertainties on large-scale models, which can generalize to unseen datasets without additional training.

Methods

The core methods involve adding uncertainty estimates to representation vectors by leveraging probabilistic embeddings and loss prediction techniques. These methods are grounded in both computational efficiency and theoretical robustness.

  1. Monte-Carlo InfoNCE (MCInfoNCE): This extends the InfoNCE loss function with a probabilistic framework, using sampling to account for uncertainty in the representation space. The probabilistic embeddings are validated to be correct in a theoretical sense by establishing their equivalence to the true posteriors of a generative process for ambiguous inputs.
  2. Loss Prediction: This approach directly predicts the model's loss for a given input as its uncertainty estimate. By using a gradient-stop technique, the method avoids the harmful gradient conflicts that potentially deteriorate the performance of the backbone model, ensuring that the uncertainty estimator does not interfere with the main task of representation learning.

Both methods lead to an integrated, scalable solution that incorporates uncertainty estimates into pretrained models.

Key Results

  • Correctness of Posterior Estimates: The MCInfoNCE proves theoretically that it recovers the correct aleatoric uncertainty for ambiguous inputs. The method's validity is empirically demonstrated across various datasets and settings.
  • Generalization and Transferability: By pretraining representation uncertainties on large datasets like ImageNet-21k, the approach generalizes well to unseen datasets. The uncertainties quantify aleatoric uncertainty, devoid of epistemic uncertainty, thus enabling trust in unseen deployment scenarios.
  • Benchmark Performance: The URL benchmark shows that probabilistic embeddings and loss prediction techniques achieve the best scores in terms of transferable uncertainties. The adopted approach exhibits superior performance by clearly delineating high-quality data points and reducing errors in downstream tasks.

Practical and Theoretical Implications

The practical implications of this research are profound. Pretrained models with integrated uncertainty estimates offer practitioners an immediate operational advantage, promoting safer and more reliable deployments. For example, in autonomous driving, models can now flag uncertain inputs for human review, potentially preventing accidents. Similarly, in medical imaging, uncertain diagnoses can be flagged for further examination, thereby reducing misdiagnosis rates.

On the theoretical front, this research enriches our understanding of uncertainties over latent variables. It shows that uncertainties are not mere training artifacts but have real-world significance, fulfilling the theoretical criteria of correct posterior estimates. Moreover, it pushes the boundary of what is achievable with self-supervised learning techniques, coupling them seamlessly with probabilistic frameworks.

Future Directions

The future of uncertainty quantification in AI looks promising, with several potential developments:

  1. Extended Domains: The current methods could be extended to other domains such as natural language processing or multimodal tasks to evaluate the generalizability of pretrained uncertainties.
  2. Combining with Other Techniques: Integrating these approaches with other advancements in machine learning—like few-shot learning or continual learning—could further enhance performance and robustness in dynamic, real-world environments.
  3. More Granular Uncertainty Measures: Developing methods that can distinguish between different types of uncertainties more granularly—such as model uncertainty, data uncertainty, and label noise—may offer nuanced benefits for specialized applications.

Conclusion

This paper makes uncertainty estimates a readily inheritable feature of pretrained models, significantly simplifying the deployment of trustworthy machine learning systems. By bridging theoretical rigor with practical utility, this research provides a robust framework for transferability and scalability of uncertainty estimates, setting a solid foundation for future developments in the field of AI.

These findings indicate substantial progress in adding uncertainty estimates to latent representations in pretrained models. The practical implications and theoretical advancements embodied in this research point towards a more reliable and trustworthy future for AI applications. The methods and benchmarks provided stand to benefit a wide array of future research, underscoring the promise of integrating principled uncertainty quantification into mainstream machine learning pipelines.

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