Debarghya Mukherjee

Debarghya Mukherjee, Felix Petersen, Mikhail Yurochkin et al.

Many instances of algorithmic bias are caused by distributional shifts. For example, machine learning (ML) models often perform worse on demographic groups that are underrepresented in the training data. In this paper, we leverage this connection between algorithmic fairness and distribution shifts to show that algorithmic fairness interventions can help ML models overcome distribution shifts, and that domain adaptation methods (for overcoming distribution shifts) can mitigate algorithmic biases. In particular, we show that (i) enforcing suitable notions of individual fairness (IF) can improve the out-of-distribution accuracy of ML models under the covariate shift assumption and that (ii) it is possible to adapt representation alignment methods for domain adaptation to enforce individual fairness. The former is unexpected because IF interventions were not developed with distribution shifts in mind. The latter is also unexpected because representation alignment is not a common approach in the individual fairness literature.

Subha Maity, Debarghya Mukherjee, Moulinath Banerjee et al.

Time-varying stochastic optimization problems frequently arise in machine learning practice (e.g. gradual domain shift, object tracking, strategic classification). Although most problems are solved in discrete time, the underlying process is often continuous in nature. We exploit this underlying continuity by developing predictor-corrector algorithms for time-varying stochastic optimizations. We provide error bounds for the iterates, both in presence of pure and noisy access to the queries from the relevant derivatives of the loss function. Furthermore, we show (theoretically and empirically in several examples) that our method outperforms non-predictor corrector methods that do not exploit the underlying continuous process.

Radu Lecoiu, Debarghya Mukherjee, Pragya Sur

Self-distillation has emerged as a promising technique for improving model performance in modern machine learning systems. We develop the statistical foundations of self-distillation in spiked covariance models, by introducing and analyzing a broad class of estimators, namely spectral shrinkage estimators. We establish that for spiked covariance matrices with $s$ spikes, $s$-step self-distillation achieves optimal performance among spectral shrinkage estimators, outperforming well-known estimators in statistics and machine learning. Moreover, we show that $s$ steps are necessary for optimality: any $(s-k)$-step distilled estimator is strictly suboptimal for $1 \leq k \leq s$. For the special subclass of isotropic covariances, we show that optimally tuned Ridge regression performs best among spectral shrinkage estimators. We also study a federated approach where multiple data centers share spectral shrinkage estimators and a common server seeks to aggregate them to achieve optimal performance. In this case, we find that the best local rule again takes the form of self-distillation, though it differs from the optimal rule when data are hosted centrally on a single server. Together, our results elucidate why self-distillation improves predictive performance and provide a broader statistical framework connecting it with classical shrinkage-based methods.

Jiaming Hu, Jiamu Bai, Haoyu Wang et al.

Reinforcement learning from human feedback (RLHF) has been popular for aligning text-to-image (T2I) diffusion models with human preferences. As a mainstream branch of RLHF, Direct Preference Optimization (DPO) offers a computationally efficient alternative that avoids explicit reward modeling and has been widely adopted in diffusion alignment. However, existing preference-based methods for diffusion alignment still rely on reward-induced preference signals and typically assume that human preferences can be adequately modeled by the Bradley--Terry (BT) model, which may fail to capture the full complexity of human preferences. In this paper, we formulate diffusion alignment from a game-theoretic perspective. We propose Diffusion Nash Preference Optimization (Diff.-NPO), an intuitive general preference framework for diffusion alignment. Diff.-NPO encourages the current policy to play against itself to achieve self improvement and lead to a better alignment. Empirically, we demonstrate the effectiveness of Diff.-NPO on the text-to-image generation task via various metrics. Diff.-NPO consistently outperforms existing preference-based diffusion alignment methods.

Hanxiao Chen, Debarghya Mukherjee

We study clustered multitask learning in a semiparametric setting where tasks share a latent cluster structure in their target parameters but exhibit heterogeneous, potentially infinite-dimensional nuisance components. Such heterogeneity poses a major challenge for existing multitask learning methods, which typically rely on aligned feature spaces or homogeneous task structures. To address this challenge, we propose an adaptive fused orthogonal estimator that integrates Neyman-orthogonal losses with data-driven pairwise fusion penalties. Our framework leverages task-specific pilot estimates to calibrate the fusion penalties and combines adaptive aggregation with orthogonalization to mitigate the impact of nuisance-parameter estimation error. Theoretically, we show that the proposed estimator achieves exact recovery of the latent clustering with high probability and attains pooled parametric convergence rates proportional to cluster size. Moreover, we establish asymptotic normality and show that, asymptotically, our estimator matches the performance of an oracle procedure that knows the true clustering in advance. Empirically, we show that the proposed method consistently outperforms strong baselines in various simulation setups. A real-world application to U.S. residential energy consumption demonstrates the effectiveness of our approach in uncovering meaningful regional clustering in electricity price elasticity, showcasing the efficacy of our method.

Jiawei Ge, Debarghya Mukherjee, Jianqing Fan

As machine learning models are increasingly deployed in dynamic environments, it becomes paramount to assess and quantify uncertainties associated with distribution shifts. A distribution shift occurs when the underlying data-generating process changes, leading to a deviation in the model's performance. The prediction interval, which captures the range of likely outcomes for a given prediction, serves as a crucial tool for characterizing uncertainties induced by their underlying distribution. In this paper, we propose methodologies for aggregating prediction intervals to obtain one with minimal width and adequate coverage on the target domain under unsupervised domain shift, under which we have labeled samples from a related source domain and unlabeled covariates from the target domain. Our analysis encompasses scenarios where the source and the target domain are related via i) a bounded density ratio, and ii) a measure-preserving transformation. Our proposed methodologies are computationally efficient and easy to implement. Beyond illustrating the performance of our method through real-world datasets, we also delve into the theoretical details. This includes establishing rigorous theoretical guarantees, coupled with finite sample bounds, regarding the coverage and width of our prediction intervals. Our approach excels in practical applications and is underpinned by a solid theoretical framework, ensuring its reliability and effectiveness across diverse contexts.

Yuyao Wang, Yu-Hung Cheng, Debarghya Mukherjee et al.

Graphon models provide a flexible nonparametric framework for estimating latent connectivity probabilities in networks, enabling a range of downstream applications such as link prediction and data augmentation. However, accurate graphon estimation typically requires a large graph, whereas in practice, one often only observes a small-sized network. One approach to addressing this issue is to adopt a transfer learning framework, which aims to improve estimation in a small target graph by leveraging structural information from a larger, related source graph. In this paper, we propose a novel method, namely GTRANS, a transfer learning framework that integrates neighborhood smoothing and Gromov-Wasserstein optimal transport to align and transfer structural patterns between graphs. To prevent negative transfer, GTRANS includes an adaptive debiasing mechanism that identifies and corrects for target-specific deviations via residual smoothing. We provide theoretical guarantees on the stability of the estimated alignment matrix and demonstrate the effectiveness of GTRANS in improving the accuracy of target graph estimation through extensive synthetic and real data experiments. These improvements translate directly to enhanced performance in downstream applications, such as the graph classification task and the link prediction task.

Dehao Dai, Jianqing Fan, Yihong Gu et al.

Neural network-based methods for (un)conditional density estimation have recently gained substantial attention, as various neural density estimators have outperformed classical approaches in real-data experiments. Despite these empirical successes, implementation can be challenging due to the need to ensure non-negativity and unit-mass constraints, and theoretical understanding remains limited. In particular, it is unclear whether such estimators can adaptively achieve faster convergence rates when the underlying density exhibits a low-dimensional structure. This paper addresses these gaps by proposing a structure-agnostic neural density estimator that is (i) straightforward to implement and (ii) provably adaptive, attaining faster rates when the true density admits a low-dimensional composition structure. Another key contribution of our work is to show that the proposed estimator integrates naturally into generative sampling pipelines, most notably score-based diffusion models, where it achieves provably faster convergence when the underlying density is structured. We validate its performance through extensive simulations and a real-data application.

Jiaming Hu, Haoyu Wang, Debarghya Mukherjee et al.

Jailbreak attacks pose a serious challenge to the safe deployment of large language models (LLMs). We introduce CCFC (Core & Core-Full-Core), a dual-track, prompt-level defense framework designed to mitigate LLMs' vulnerabilities from prompt injection and structure-aware jailbreak attacks. CCFC operates by first isolating the semantic core of a user query via few-shot prompting, and then evaluating the query using two complementary tracks: a core-only track to ignore adversarial distractions (e.g., toxic suffixes or prefix injections), and a core-full-core (CFC) track to disrupt the structural patterns exploited by gradient-based or edit-based attacks. The final response is selected based on a safety consistency check across both tracks, ensuring robustness without compromising on response quality. We demonstrate that CCFC cuts attack success rates by 50-75% versus state-of-the-art defenses against strong adversaries (e.g., DeepInception, GCG), without sacrificing fidelity on benign queries. Our method consistently outperforms state-of-the-art prompt-level defenses, offering a practical and effective solution for safer LLM deployment.

Jiaming Hu, Debarghya Mukherjee, Ioannis Ch. Paschalidis

In many real-world applications, ensuring the robustness and stability of deep neural networks (DNNs) is crucial, particularly for image classification tasks that encounter various input perturbations. While data augmentation techniques have been widely adopted to enhance the resilience of a trained model against such perturbations, there remains significant room for improvement in robustness against corrupted data and adversarial attacks simultaneously. To address this challenge, we introduce DRO-Augment, a novel framework that integrates Wasserstein Distributionally Robust Optimization (W-DRO) with various data augmentation strategies to improve the robustness of the models significantly across a broad spectrum of corruptions. Our method outperforms existing augmentation methods under severe data perturbations and adversarial attack scenarios while maintaining the accuracy on the clean datasets on a range of benchmark datasets, including but not limited to CIFAR-10-C, CIFAR-100-C, MNIST, and Fashion-MNIST. On the theoretical side, we establish novel generalization error bounds for neural networks trained using a computationally efficient, variation-regularized loss function closely related to the W-DRO problem.

Liyuan Wang, Jiachen Chen, Kathryn L. Lunetta et al.

Transfer learning enhances model performance by utilizing knowledge from related domains, particularly when labeled data is scarce. While existing research addresses transfer learning under various distribution shifts in independent settings, handling dependencies in networked data remains challenging. To address this challenge, we propose a high-dimensional transfer learning framework based on network convolutional regression (NCR), inspired by the success of graph convolutional networks (GCNs). The NCR model incorporates random network structure by allowing each node's response to depend on its features and the aggregated features of its neighbors, capturing local dependencies effectively. Our methodology includes a two-step transfer learning algorithm that addresses domain shift between source and target networks, along with a source detection mechanism to identify informative domains. Theoretically, we analyze the lasso estimator in the context of a random graph based on the Erdos-Renyi model assumption, demonstrating that transfer learning improves convergence rates when informative sources are present. Empirical evaluations, including simulations and a real-world application using Sina Weibo data, demonstrate substantial improvements in prediction accuracy, particularly when labeled data in the target domain is limited.

Yi Sun, Debarghya Mukherjee, Yves Atchade

Solving partial differential equations (PDEs) and their inverse problems using Physics-informed neural networks (PINNs) is a rapidly growing approach in the physics and machine learning community. Although several architectures exist for PINNs that work remarkably in practice, our theoretical understanding of their performances is somewhat limited. In this work, we study the behavior of a Bayesian PINN estimator of the solution of a PDE from $n$ independent noisy measurement of the solution. We focus on a class of equations that are linear in their parameters (with unknown coefficients $θ_\star$). We show that when the partial differential equation admits a classical solution (say $u_\star$), differentiable to order $β$, the mean square error of the Bayesian posterior mean is at least of order $n^{-2β/(2β+ d)}$. Furthermore, we establish a convergence rate of the linear coefficients of $θ_\star$ depending on the order of the underlying differential operator. Last but not least, our theoretical results are validated through extensive simulations.

Felix Petersen, Debarghya Mukherjee, Yuekai Sun et al.

Post-processing in algorithmic fairness is a versatile approach for correcting bias in ML systems that are already used in production. The main appeal of post-processing is that it avoids expensive retraining. In this work, we propose general post-processing algorithms for individual fairness (IF). We consider a setting where the learner only has access to the predictions of the original model and a similarity graph between individuals, guiding the desired fairness constraints. We cast the IF post-processing problem as a graph smoothing problem corresponding to graph Laplacian regularization that preserves the desired "treat similar individuals similarly" interpretation. Our theoretical results demonstrate the connection of the new objective function to a local relaxation of the original individual fairness. Empirically, our post-processing algorithms correct individual biases in large-scale NLP models such as BERT, while preserving accuracy.

Subha Maity, Debarghya Mukherjee, Mikhail Yurochkin et al.

Many instances of algorithmic bias are caused by subpopulation shifts. For example, ML models often perform worse on demographic groups that are underrepresented in the training data. In this paper, we study whether enforcing algorithmic fairness during training improves the performance of the trained model in the \emph{target domain}. On one hand, we conceive scenarios in which enforcing fairness does not improve performance in the target domain. In fact, it may even harm performance. On the other hand, we derive necessary and sufficient conditions under which enforcing algorithmic fairness leads to the Bayes model in the target domain. We also illustrate the practical implications of our theoretical results in simulations and on real data.

Debarghya Mukherjee, Mikhail Yurochkin, Moulinath Banerjee et al.

Individual fairness is an intuitive definition of algorithmic fairness that addresses some of the drawbacks of group fairness. Despite its benefits, it depends on a task specific fair metric that encodes our intuition of what is fair and unfair for the ML task at hand, and the lack of a widely accepted fair metric for many ML tasks is the main barrier to broader adoption of individual fairness. In this paper, we present two simple ways to learn fair metrics from a variety of data types. We show empirically that fair training with the learned metrics leads to improved fairness on three machine learning tasks susceptible to gender and racial biases. We also provide theoretical guarantees on the statistical performance of both approaches.