Anqi Mao

Anqi Mao, Mehryar Mohri, Yutao Zhong

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 $Ψ$, and establish their realizable $H$-consistency under mild conditions. For cost functions based on classification error, we further show that these losses admit $H$-consistency bounds when the hypothesis set is symmetric and complete, a property satisfied by common neural network and linear function hypothesis sets. Our results also resolve an open question raised in previous work (Mozannar et al., 2023) by proving the realizable $H$-consistency and Bayes-consistency of a specific surrogate loss. Furthermore, we identify choices of $Ψ$ that lead to $H$-consistent surrogate losses for any general cost function, thus achieving Bayes-consistency, realizable $H$-consistency, and $H$-consistency bounds simultaneously. We also investigate the relationship between $H$-consistency bounds and realizable $H$-consistency in learning to defer, highlighting key differences from standard classification. Finally, we empirically evaluate our proposed surrogate losses and compare them with existing baselines.

Anqi Mao, Mehryar Mohri, Yutao Zhong

We present a detailed study of surrogate losses and algorithms for multi-label learning, supported by $H$-consistency bounds. We first show that, for the simplest form of multi-label loss (the popular Hamming loss), the well-known consistent binary relevance surrogate suffers from a sub-optimal dependency on the number of labels in terms of $H$-consistency bounds, when using smooth losses such as logistic losses. Furthermore, this loss function fails to account for label correlations. To address these drawbacks, we introduce a novel surrogate loss, multi-label logistic loss, that accounts for label correlations and benefits from label-independent $H$-consistency bounds. We then broaden our analysis to cover a more extensive family of multi-label losses, including all common ones and a new extension defined based on linear-fractional functions with respect to the confusion matrix. We also extend our multi-label logistic losses to more comprehensive multi-label comp-sum losses, adapting comp-sum losses from standard classification to the multi-label learning. We prove that this family of surrogate losses benefits from $H$-consistency bounds, and thus Bayes-consistency, across any general multi-label loss. Our work thus proposes a unified surrogate loss framework benefiting from strong consistency guarantees for any multi-label loss, significantly expanding upon previous work which only established Bayes-consistency and for specific loss functions. Additionally, we adapt constrained losses from standard classification to multi-label constrained losses in a similar way, which also benefit from $H$-consistency bounds and thus Bayes-consistency for any multi-label loss. We further describe efficient gradient computation algorithms for minimizing the multi-label logistic loss.

Anqi Mao, Mehryar Mohri, Yutao Zhong

Recent research has introduced a key notion of $H$-consistency bounds for surrogate losses. These bounds offer finite-sample guarantees, quantifying the relationship between the zero-one estimation error (or other target loss) and the surrogate loss estimation error for a specific hypothesis set. However, previous bounds were derived under the condition that a lower bound of the surrogate loss conditional regret is given as a convex function of the target conditional regret, without non-constant factors depending on the predictor or input instance. Can we derive finer and more favorable $H$-consistency bounds? In this work, we relax this condition and present a general framework for establishing enhanced $H$-consistency bounds based on more general inequalities relating conditional regrets. Our theorems not only subsume existing results as special cases but also enable the derivation of more favorable bounds in various scenarios. These include standard multi-class classification, binary and multi-class classification under Tsybakov noise conditions, and bipartite ranking.

Corinna Cortes, Anqi Mao, Mehryar Mohri et al.

Learning algorithms can be significantly improved by routing complex or uncertain inputs to specialized experts, balancing accuracy with computational cost. This approach, known as learning to defer, is essential in domains like natural language generation, medical diagnosis, and computer vision, where an effective deferral can reduce errors at low extra resource consumption. However, the two-stage learning to defer setting, which leverages existing predictors such as a collection of LLMs or other classifiers, often faces challenges due to an expert imbalance problem. This imbalance can lead to suboptimal performance, with deferral algorithms favoring the majority expert. We present a comprehensive study of two-stage learning to defer in expert imbalance settings. We cast the deferral loss optimization as a novel cost-sensitive learning problem over the input-expert domain. We derive new margin-based loss functions and guarantees tailored to this setting, and develop novel algorithms for cost-sensitive learning. Leveraging these results, we design principled deferral algorithms, MILD (Margin-based Imbalanced Learning to Defer), specifically suited for expert imbalance settings. Extensive experiments demonstrate the effectiveness of our approach, showing clear improvements over existing baselines on both image classification and real-world Large Language Model (LLM) routing tasks.

Anqi Mao, Mehryar Mohri, Yutao Zhong

In applications with significant class imbalance or asymmetric costs, metrics such as the $F_β$-measure, AM measure, Jaccard similarity coefficient, and weighted accuracy offer more suitable evaluation criteria than standard binary classification loss. However, optimizing these metrics present significant computational and statistical challenges. Existing approaches often rely on the characterization of the Bayes-optimal classifier, and use threshold-based methods that first estimate class probabilities and then seek an optimal threshold. This leads to algorithms that are not tailored to restricted hypothesis sets and lack finite-sample performance guarantees. In this work, we introduce principled algorithms for optimizing generalized metrics, supported by $H$-consistency and finite-sample generalization bounds. Our approach reformulates metric optimization as a generalized cost-sensitive learning problem, enabling the design of novel surrogate loss functions with provable $H$-consistency guarantees. Leveraging this framework, we develop new algorithms, METRO (Metric Optimization), with strong theoretical performance guarantees. We report the results of experiments demonstrating the effectiveness of our methods compared to prior baselines.

Anqi Mao

Large language models (LLMs) have achieved remarkable performance but face critical challenges: hallucinations and high inference costs. Leveraging multiple experts offers a solution: deferring uncertain inputs to more capable experts improves reliability, while routing simpler queries to smaller, distilled models enhances efficiency. This motivates the problem of learning with multiple-expert deferral. This thesis presents a comprehensive study of this problem and the related problem of learning with abstention, supported by strong consistency guarantees. First, for learning with abstention (a special case of deferral), we analyze score-based and predictor-rejector formulations in multi-class classification. We introduce new families of surrogate losses and prove strong non-asymptotic, hypothesis set-specific consistency guarantees, resolving two existing open questions. We analyze both single-stage and practical two-stage settings, with experiments on CIFAR-10, CIFAR-100, and SVHN demonstrating the superior performance of our algorithms. Second, we address general multi-expert deferral in classification. We design new surrogate losses for both single-stage and two-stage scenarios and prove they benefit from strong $H$-consistency bounds. For the two-stage scenario, we show that our surrogate losses are realizable $H$-consistent for constant cost functions, leading to effective new algorithms. Finally, we introduce a novel framework for regression with deferral to address continuous label spaces. Our versatile framework accommodates multiple experts and various cost structures, supporting both single-stage and two-stage methods. It subsumes recent work on regression with abstention. We propose new surrogate losses with proven $H$-consistency and demonstrate the empirical effectiveness of the resulting algorithms.

Anqi Mao, Mehryar Mohri, Yutao Zhong

We present a detailed study of $H$-consistency bounds for regression. We first present new theorems that generalize the tools previously given to establish $H$-consistency bounds. This generalization proves essential for analyzing $H$-consistency bounds specific to regression. Next, we prove a series of novel $H$-consistency bounds for surrogate loss functions of the squared loss, under the assumption of a symmetric distribution and a bounded hypothesis set. This includes positive results for the Huber loss, all $\ell_p$ losses, $p \geq 1$, the squared $ε$-insensitive loss, as well as a negative result for the $ε$-insensitive loss used in squared Support Vector Regression (SVR). We further leverage our analysis of $H$-consistency for regression and derive principled surrogate losses for adversarial regression (Section 5). This readily establishes novel algorithms for adversarial regression, for which we report favorable experimental results in Section 6.

Anqi Mao, Mehryar Mohri, Yutao Zhong

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 generation, but also in other fields such as image processing, and medical diagnostics. Recent studies have proposed surrogate loss functions to optimize deferral, but challenges remain in ensuring their consistency properties. This paper introduces novel surrogate loss functions and efficient algorithms with strong theoretical learning guarantees. We address open questions regarding realizable $H$-consistency, $H$-consistency bounds, and Bayes-consistency for both single-stage (jointly learning predictor and deferral function) and two-stage (learning only the deferral function with a fixed expert) learning scenarios. For single-stage deferral, we introduce a family of new realizable $H$-consistent surrogate losses and further prove $H$-consistency for a selected member. For two-stage deferral, we derive new surrogate losses that achieve realizable $H$-consistency, $H$-consistency bounds, and Bayes-consistency for the two-expert scenario and, under natural assumptions, multiple-expert scenario. Additionally, we provide enhanced theoretical guarantees under low-noise assumptions for both scenarios. Finally, we report the results of experiments using our proposed surrogate losses, comparing their performance against existing baselines.

Corinna Cortes, Anqi Mao, Mehryar Mohri et al.

Class imbalance remains a major challenge in machine learning, especially in multi-class problems with long-tailed distributions. Existing methods, such as data resampling, cost-sensitive techniques, and logistic loss modifications, though popular and often effective, lack solid theoretical foundations. As an example, we demonstrate that cost-sensitive methods are not Bayes-consistent. This paper introduces a novel theoretical framework for analyzing generalization in imbalanced classification. We then propose a new class-imbalanced margin loss function for both binary and multi-class settings, prove its strong $H$-consistency, and derive corresponding learning guarantees based on empirical loss and a new notion of class-sensitive Rademacher complexity. Leveraging these theoretical results, we devise novel and general learning algorithms, IMMAX (Imbalanced Margin Maximization), which incorporate confidence margins and are applicable to various hypothesis sets. While our focus is theoretical, we also present extensive empirical results demonstrating the effectiveness of our algorithms compared to existing baselines.

Anqi Mao, Mehryar Mohri, Yutao Zhong

This paper presents a comprehensive analysis of the growth rate of $H$-consistency bounds (and excess error bounds) for various surrogate losses used in classification. We prove a square-root growth rate near zero for smooth margin-based surrogate losses in binary classification, providing both upper and lower bounds under mild assumptions. This result also translates to excess error bounds. Our lower bound requires weaker conditions than those in previous work for excess error bounds, and our upper bound is entirely novel. Moreover, we extend this analysis to multi-class classification with a series of novel results, demonstrating a universal square-root growth rate for smooth comp-sum and constrained losses, covering common choices for training neural networks in multi-class classification. Given this universal rate, we turn to the question of choosing among different surrogate losses. We first examine how $H$-consistency bounds vary across surrogates based on the number of classes. Next, ignoring constants and focusing on behavior near zero, we identify minimizability gaps as the key differentiating factor in these bounds. Thus, we thoroughly analyze these gaps, to guide surrogate loss selection, covering: comparisons across different comp-sum losses, conditions where gaps become zero, and general conditions leading to small gaps. Additionally, we demonstrate the key role of minimizability gaps in comparing excess error bounds and $H$-consistency bounds.

Pranjal Awasthi, Anqi Mao, Mehryar Mohri et al.

We present a more general analysis of $H$-calibration for adversarially robust classification. By adopting a finer definition of calibration, we can cover settings beyond the restricted hypothesis sets studied in previous work. In particular, our results hold for most common hypothesis sets used in machine learning. We both fix some previous calibration results (Bao et al., 2020) and generalize others (Awasthi et al., 2021). Moreover, our calibration results, combined with the previous study of consistency by Awasthi et al. (2021), also lead to more general $H$-consistency results covering common hypothesis sets.

Pranjal Awasthi, Natalie Frank, Anqi Mao et al.

Adversarial robustness is an increasingly critical property of classifiers in applications. The design of robust algorithms relies on surrogate losses since the optimization of the adversarial loss with most hypothesis sets is NP-hard. But which surrogate losses should be used and when do they benefit from theoretical guarantees? We present an extensive study of this question, including a detailed analysis of the H-calibration and H-consistency of adversarial surrogate losses. We show that, under some general assumptions, convex loss functions, or the supremum-based convex losses often used in applications, are not H-calibrated for important hypothesis sets such as generalized linear models or one-layer neural networks. We then give a characterization of H-calibration and prove that some surrogate losses are indeed H-calibrated for the adversarial loss, with these hypothesis sets. Next, we show that H-calibration is not sufficient to guarantee consistency and prove that, in the absence of any distributional assumption, no continuous surrogate loss is consistent in the adversarial setting. This, in particular, proves that a claim presented in a COLT 2020 publication is inaccurate. (Calibration results there are correct modulo subtle definition differences, but the consistency claim does not hold.) Next, we identify natural conditions under which some surrogate losses that we describe in detail are H-consistent for hypothesis sets such as generalized linear models and one-layer neural networks. We also report a series of empirical results with simulated data, which show that many H-calibrated surrogate losses are indeed not H-consistent, and validate our theoretical assumptions.

Yingzhou Li, Jianfeng Lu, Anqi Mao

A novel solve-training framework is proposed to train neural network in representing low dimensional solution maps of physical models. Solve-training framework uses the neural network as the ansatz of the solution map and train the network variationally via loss functions from the underlying physical models. Solve-training framework avoids expensive data preparation in the traditional supervised training procedure, which prepares labels for input data, and still achieves effective representation of the solution map adapted to the input data distribution. The efficiency of solve-training framework is demonstrated through obtaining solutions maps for linear and nonlinear elliptic equations, and maps from potentials to ground states of linear and nonlinear Schrödinger equations.