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We derive an (almost) guaranteed upper bound on the error of deep neural networks under distribution shift using unlabeled test data. Prior methods either give bounds that are vacuous in practice or give estimates that are accurate on…

Machine Learning · Statistics 2023-06-02 Elan Rosenfeld , Saurabh Garg

Generalization bounds for deep learning models are typically vacuous, not computable or restricted to specific model classes. In this paper, we tackle these issues by providing new disagreement-based certificates for the gap between the…

Machine Learning · Computer Science 2026-02-27 Mathieu Bazinet , Valentina Zantedeschi , Pascal Germain

We study the rates of convergence from empirical surrogate risk minimizers to the Bayes optimal classifier. Specifically, we introduce the notion of \emph{consistency intensity} to characterize a surrogate loss function and exploit this…

Machine Learning · Statistics 2021-02-26 Jingwei Zhang , Tongliang Liu , Dacheng Tao

In machine learning, the loss functions optimized during training often differ from the target loss that defines task performance due to computational intractability or lack of differentiability. We present an in-depth study of the target…

Machine Learning · Computer Science 2025-12-30 Yutao Zhong

Evaluating the performance of machine learning models under distribution shift is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent…

Machine Learning · Statistics 2023-03-02 Donghwan Lee , Behrad Moniri , Xinmeng Huang , Edgar Dobriban , Hamed Hassani

In this paper we introduce a novel way of estimating prediction uncertainty in deep networks through the use of uncertainty surrogates. These surrogates are features of the penultimate layer of a deep network that are forced to match…

Machine Learning · Computer Science 2021-04-19 Radhakrishna Achanta , Natasa Tagasovska

Appropriately evaluating the discrepancy between domains is essential for the success of unsupervised domain adaptation. In this paper, we first point out that existing discrepancy measures are less informative when complex models such as…

Machine Learning · Statistics 2019-10-23 Jongyeong Lee , Nontawat Charoenphakdee , Seiichi Kuroki , Masashi Sugiyama

The Consistency property between surrogate losses and evaluation metrics has been extensively studied to ensure that minimizing a loss leads to metric optimality. However, the direct relationship between different evaluation metrics remains…

Machine Learning · Computer Science 2026-03-10 Yuanhao Pu , Defu Lian , Enhong Chen

We present a comprehensive study of surrogate loss functions for learning to defer. We introduce a broad family of surrogate losses, parameterized by a non-increasing function $\Psi$, and establish their realizable $H$-consistency under…

Machine Learning · Computer Science 2024-07-19 Anqi Mao , Mehryar Mohri , Yutao Zhong

Reliable and accurate estimation of the error of an ML model in unseen test domains is an important problem for safe intelligent systems. Prior work uses disagreement discrepancy (DIS^2) to derive practical error bounds under distribution…

Machine Learning · Computer Science 2025-06-19 Aayush Mishra , Anqi Liu

The problem of learning to defer with multiple experts consists of optimally assigning input instances to experts, balancing the trade-off between their accuracy and computational cost. This is a critical challenge in natural language…

Machine Learning · Computer Science 2025-12-30 Anqi Mao , Mehryar Mohri , Yutao Zhong

Contrastive representation learning encourages data representation to make semantically similar pairs closer than randomly drawn negative samples, which has been successful in various domains such as vision, language, and graphs. Recent…

Machine Learning · Computer Science 2022-05-31 Han Bao , Yoshihiro Nagano , Kento Nozawa

The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

Machine Learning · Computer Science 2019-01-28 Xi Chen , Mike Hobson

This paper proposes a technique for training a neural network by minimizing a surrogate loss that approximates the target evaluation metric, which may be non-differentiable. The surrogate is learned via a deep embedding where the Euclidean…

Computer Vision and Pattern Recognition · Computer Science 2020-07-20 Yash Patel , Tomas Hodan , Jiri Matas

The present paper proposes a Bayesian framework for inverse problems that seamlessly integrates optimization and inversion to enable rapid surrogate modeling, accurate parameter inference, and rigorous uncertainty quantification. Bayesian…

Computational Engineering, Finance, and Science · Computer Science 2026-02-05 Mihaela Chiappetta , Massimo Carraturo , Alexander Raßloff , Markus Kästner , Ferdinando Auricchio

Reliable uncertainty calibration is essential for safely deploying deep neural networks in high-stakes applications. Deep neural networks are known to exhibit systematic overconfidence, especially under distribution shifts. Although…

Machine Learning · Computer Science 2025-06-12 Achim Hekler , Lukas Kuhn , Florian Buettner

Assisted by the availability of data and high performance computing, deep learning techniques have achieved breakthroughs and surpassed human performance empirically in difficult tasks, including object recognition, speech recognition, and…

Machine Learning · Computer Science 2019-01-23 Shaeke Salman , Xiuwen Liu

To obtain uncertainty estimates with real-world Bayesian deep learning models, practical inference approximations are needed. Dropout variational inference (VI) for example has been used for machine vision and medical applications, but VI…

Machine Learning · Computer Science 2017-03-09 Yingzhen Li , Yarin Gal

In many mechanistic medical, biological, physical and engineered spatiotemporal dynamic models the numerical solution of partial differential equations (PDEs) can make simulations impractically slow. Biological models require the…

Soft Condensed Matter · Physics 2021-02-11 J. Quetzalcóatl Toledo-Marín , Geoffrey Fox , James P. Sluka , James A. Glazier

In Bayesian inverse problems, surrogate models are often constructed to speed up the computational procedure, as the parameter-to-data map can be very expensive to evaluate. However, due to the curse of dimensionality and the nonlinear…

Numerical Analysis · Mathematics 2020-03-03 Liang Yan , Tao Zhou
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