The AI community has witnessed the emergence of various chat-style Large Language Models (LLMs) since the advent of ChatGPT. Despite significant progress in this area, evaluating these models remains a substantial challenge. The evaluations provided by humans or GPT-4 oracles are often taken as the gold standard, but they are neither automatic nor scalable. More recently, a series of (open source) LLM-based judge models have been introduced, yet they often exhibit model-specific biases, e.g., a LLaMA-family judge favors a LLaMA-family model. On the other hand, autoregressive evaluation metrics, which holds the potential to address the aforementioned issues, remains underexplored. Among them, likelihood-based metrics such as perplexity and Negative Log-Likelihood (NLL) are widely adopted and has proven effective in tracking the pre-training progress of LLMs. However, they struggle to evaluate the generation capabilities of fine-tuned models due to exposure bias , a phenomenon where the distribution of the model’s output gradually deviates from the ground-truth during inference. To address this key issue, in this article, we propose a novel autoregressive metric, Normalized Discounted Cumulative Gain (NDCG), to improve the evaluation of fine-tuned LLMs. Our experimental results demonstrate that NDCG significantly outperforms likelihood-based metrics: it shows over 45% improvement in both Spearman and Kendall’s tau correlation coefficients for commonsense QA tasks, and aligns more closely with GPT-4 Elo rankings for instruction-tuned models.

Reward modeling is a key step in building safe foundation models when applying reinforcement learning from human feedback (RLHF) to align Large Language Models (LLMs).However, reward modeling based on the Bradley-Terry (BT) model assumes a global reward function, failing to capture the inherently diverse and heterogeneous human preferences.Hence, such oversimplification limits LLMs from supporting personalization and pluralistic alignment.Theoretically, we show that when human preferences follow a mixture distribution of diverse subgroups, a single BT model has an irreducible error.While existing solutions, such as multi-objective learning with finegrained annotations, help address this issue, they are costly and constrained by predefined attributes, failing to fully capture the richness of human values.In this work, we introduce MiCRo, a two-stage framework that enhances personalized preference learning by leveraging large-scale binary preference datasets without requiring explicit fine-grained annotations.In the first stage, MiCRo introduces context-aware mixture modeling approach to capture diverse human preferences.In the second stage, Mi-CRo integrates an online routing strategy that dynamically adapts mixture weights based on specific context to resolve ambiguity, allowing for efficient and scalable preference adaptation with minimal additional supervision.Experiments on multiple preference datasets demonstrate that MiCRo effectively captures diverse human preferences and significantly improves downstream personalization.

To embed structured knowledge within labels into feature representations, prior work (Zeng et al., 2022) proposed to use the Cophenetic Correlation Coefficient (CPCC) as a regularizer during supervised learning. This regularizer calculates pairwise Euclidean distances of class means and aligns them with the corresponding shortest path distances derived from the label hierarchy tree. However, class means may not be good representatives of the class conditional distributions, especially when they are multi-mode in nature. To address this limitation, under the CPCC framework, we propose to use the Earth Mover's Distance (EMD) to measure the pairwise distances among classes in the feature space. We show that our exact EMD method generalizes previous work, and recovers the existing algorithm when class-conditional distributions are Gaussian in the feature space. To further improve the computational efficiency of our method, we introduce the Optimal Transport-CPCC family by exploring four EMD approximation variants. Our most efficient OT-CPCC variant runs in linear time in the size of the dataset, while maintaining competitive performance across datasets and tasks. The code is available at https://github.com/uiuctml/OTCPCC.

Neural Ordinary Differential Equations (Neural ODEs or NODEs) excel at modeling continuous dynamical systems from observational data, especially when the data is irregularly sampled. However, existing training methods predominantly rely on numerical ODE solvers, which are time-consuming and prone to accumulating numerical errors over time due to autoregression. In this work, we propose VF-NODE, a novel approach based on the variational formulation (VF) to accelerate the training of NODEs. Unlike existing training methods, the proposed VF-NODEs implement a series of global integrals, thus evaluating Deep Neural Network (DNN)--based vector fields only at specific observed data points. This strategy drastically reduces the number of function evaluations (NFEs). Moreover, our method eliminates the use of autoregression, thereby reducing error accumulations for modeling dynamical systems. Nevertheless, the VF loss introduces oscillatory terms into the integrals when using the Fourier basis. We incorporate Filon's method to address this issue. To further enhance the performance for noisy and incomplete data, we employ the natural cubic spline regression to estimate a closed-form approximation. We provide a fundamental analysis of how our approach minimizes computational costs. Extensive experiments demonstrate that our approach accelerates NODE training by 10 to 1000 times compared to existing NODE-based methods, while achieving higher or comparable accuracy in dynamical systems. The code is available at https://github.com/ZhaoHongjue/VF-NODE-ICLR2025.

Distribution matching is a key technique in machine learning, with applications in generative models, domain adaptation, and algorithmic fairness. A related but less explored challenge is generating a distribution that aligns with multiple underlying distributions, often with conflicting objectives, known as a Pareto optimal distribution. In this paper, we develop a general theory based on information geometry to construct the Pareto set and front for the entire exponential family under KL and inverse KL divergences. This formulation allows explicit derivation of the Pareto set and front for multivariate normal distributions, enabling applications like multiobjective variational autoencoders (MOVAEs) to generate interpolated image distributions. Experimental results on real-world images demonstrate that both algorithms can generate high-quality interpolated images across multiple distributions.

Neural Probabilistic Circuits (NPCs), a new class of concept bottleneck models, comprise an attribute recognition model and a probabilistic circuit for reasoning. By integrating the outputs from these two modules, NPCs produce compositional and interpretable predictions. While offering enhanced interpretability and high performance on downstream tasks, the neural-network-based attribute recognition model remains a black box. This vulnerability allows adversarial attacks to manipulate attribute predictions by introducing carefully crafted subtle perturbations to input images, potentially compromising the final predictions. In this paper, we theoretically analyze the adversarial robustness of NPC and demonstrate that it only depends on the robustness of the attribute recognition model and is independent of the robustness of the probabilistic circuit. Moreover, we propose RNPC, the first robust neural probabilistic circuit against adversarial attacks on the recognition module. RNPC introduces a novel class-wise integration for inference, ensuring a robust combination of outputs from the two modules. Our theoretical analysis demonstrates that RNPC exhibits provably improved adversarial robustness compared to NPC. Empirical results on image classification tasks show that RNPC achieves superior adversarial robustness compared to existing concept bottleneck models while maintaining high accuracy on benign inputs. The code is available at https://github.com/uiuctml/RNPC.

Model merging provides a scalable alternative to multi-task training by combining specialized finetuned models through parameter arithmetic, enabling efficient deployment without the need for joint training or access to all task data. While recent methods have shown promise, existing evaluations are limited in both model scale and task diversity, leaving open questions about their applicability to large, domain-specialized LLMs. To tackle the challenges, we introduce MergeBench, a comprehensive evaluation suite designed to assess model merging at scale. MergeBench builds on state-of-the-art open-source language models, including Llama and Gemma families at 2B to 9B scales, and covers five key domains: instruction following, mathematics, multilingual understanding, coding and safety. We standardize finetuning and evaluation protocols, and assess eight representative merging methods across multi-task performance, forgetting and runtime efficiency. Based on extensive experiments, we provide practical guidelines for algorithm selection and share insights showing that model merging tends to perform better on stronger base models, with techniques such as merging coefficient tuning and sparsification improving knowledge retention. However, several challenges remain, including the computational cost on large models, the gap for in-domain performance compared to multi-task models, and the underexplored role of model merging in standard LLM training pipelines. We hope MergeBench provides a foundation for future research to advance the understanding and practical application of model merging.

Gradient-based data attribution methods, such as influence functions, are critical for understanding the impact of individual training samples without requiring repeated model retraining. However, their scalability is often limited by the high computational and memory costs associated with per-sample gradient computation. In this work, we propose **GraSS**, a novel gradient compression algorithm and its variants **FactGraSS** for linear layers specifically, that explicitly leverage the inherent sparsity of per-sample gradients to achieve sub-linear space and time complexity. Extensive experiments demonstrate the effectiveness of our approach, achieving substantial speedups while preserving data influence fidelity. In particular, **FactGraSS** achieves up to 165% faster throughput on billion-scale models compared to the previous state-of-the-art baselines. Our code is publicly available at https://github.com/TRAIS-Lab/GraSS.

Online reinforcement learning (RL) excels in complex, safety-critical domains but suffers from sample inefficiency, training instability, and limited interpretability. Data attribution provides a principled way to trace model behavior back to training samples, yet existing methods assume fixed datasets, which is violated in online RL where each experience both updates the policy and shapes future data collection. In this paper, we initiate the study of data attribution for online RL, focusing on the widely used Proximal Policy Optimization (PPO) algorithm. We start by establishing a *local* attribution framework, interpreting model checkpoints with respect to the records in the recent training buffer. We design two target functions, capturing agent action and cumulative return respectively, and measure each record's contribution through gradient similarity between its training loss and these targets. We demonstrate the power of this framework through three concrete applications: diagnosis of learning, temporal analysis of behavior formation, and targeted intervention during training. Leveraging this framework, we further propose an algorithm, iterative influence-based filtering (IIF), for online RL training that iteratively performs experience filtering to refine policy updates. Across standard RL benchmarks (classic control, navigation, locomotion) to RLHF for large language models, IIF reduces sample complexity, speeds up training, and achieves higher returns. Together, these results open a new direction for making online RL more interpretable, efficient, and effective.

Data attribution methods, which quantify the influence of individual training data points on a machine learning model, have gained increasing popularity in data-centric applications in modern AI. Despite a recent surge of new methods developed in this space, the impact of hyperparameter tuning in these methods remains under-explored. In this work, we present the first large-scale empirical study to understand the hyperparameter sensitivity of common data attribution methods. Our results show that most methods are indeed sensitive to certain key hyperparameters. However, unlike typical machine learning algorithms---whose hyperparameters can be tuned using computationally-cheap validation metrics---evaluating data attribution performance often requires retraining models on subsets of training data, making such metrics prohibitively costly for hyperparameter tuning. This poses a critical open challenge for the practical application of data attribution methods. To address this challenge, we advocate for better theoretical understandings of hyperparameter behavior to inform efficient tuning strategies. As a case study, we provide a theoretical analysis of the regularization term that is critical in many variants of influence function methods. Building on this analysis, we propose a lightweight procedure for selecting the regularization value without model retraining, and validate its effectiveness across a range of standard data attribution benchmarks. Overall, our study identifies a fundamental yet overlooked challenge in the practical application of data attribution, and highlights the importance of careful discussion on hyperparameter selection in future method development.

Machine unlearning (MU) aims to efficiently remove sensitive or harmful memory from a pre-trained model. The key challenge is to balance the potential tradeoff between unlearning efficacy and utility preservation, which involves forgetting undesirable information as defined while maintaining the model's original performance. One potential way to tackle this problem is to use multi-objective optimization to jointly optimize both the unlearning and utility preservation objectives. However, existing multi-objective methods only guarantee finding a Pareto-optimal solution without fine-grained control, which causes under-optimization of the unlearning objective. To this end, we first model MU as a constrained optimization problem, that is, optimizing the unlearning objective under the constraint of a bounded increase for utility loss. We then show that solving this optimization problem is equivalent to unilateral gradient surgery on the unlearning objective. To resolve the additional computational cost brought by gradient surgery, we propose an implicit gradient surgery method, which approximates the solution to the aforementioned constrained optimization problem via only one backpropagation, thereby achieving efficient utility-preserving MU. Theoretically, we provide a tight convergence analysis of the algorithm. Empirically, our extensive experiments show that the proposed algorithm achieves better tradeoff results than existing baselines. Codes are available at https://github.com/anseryuer/EUPMU-Efficient-Utility-Preserving-Machine-Unlearning.

Domain generalization (DG) seeks to develop models that generalize well to unseen target domains, addressing distribution shifts in real-world applications. One line of research in DG focuses on aligning domain-level gradients and Hessians to enhance generalization. However, existing methods are computationally inefficient and the underlying principles of these approaches are not well understood. In this paper, we develop a theory of moment alignment for DG. Grounded in transfer measures, a principled framework for quantifying generalizability between domains, we prove that aligning derivatives across domains improves transfer measures. Moment alignment provides a unifying understanding of Invariant Risk Minimization, gradient matching, and Hessian matching, three previously disconnected approaches. We further establish the duality between feature moments and derivatives of the classifier head. Building upon our theory, we introduce Closed-Form Moment Alignment (CMA), a novel DG algorithm that aligns domain-level gradients and Hessians in closed-form. Our method overcomes the computational inefficiencies of existing gradient and Hessian-based techniques by eliminating the need for repeated backpropagation or sampling-based Hessian estimation. We validate our theory and algorithm through quantitative and qualitative experiments.

In this talk I will discuss our recent work on characterizing the inherent tradeoff between fairness and accuracy in both classification and regression problems. I will also present a post-processing algorithm that derives optimal fair predictors from Bayes score functions.

Haoxiang Wang, Yong Lin, Wei Xiong, Rui Yang, Shizhe Diao, Shuang Qiu, Han Zhao, Tong Zhang. Proceedings of the 62nd Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2024.

Distribution matching can be used to learn invariant representations with applications in fairness and robustness. Most prior works resort to adversarial matching methods but the resulting minimax problems are unstable and challenging to optimize. Non-adversarial likelihood-based approaches either require model invertibility, impose constraints on the latent prior, or lack a generic framework for distribution matching. To overcome these limitations, we propose a non-adversarial VAE-based matching method that can be applied to any model pipeline. We develop a set of alignment upper bounds for distribution matching (including a noisy bound) that have VAE-like objectives but with a different perspective. We carefully compare our method to prior VAE-based matching approaches both theoretically and empirically. Finally, we demonstrate that our novel matching losses can replace adversarial losses in standard invariant representation learning pipelines without modifying the original architectures—thereby significantly broadening the applicability of non-adversarial matching methods.

Among numerous linear approximation methods proposed for optimal transport (OT), tree-based methods appear to be fairly reliable, notably for language processing applications. Inspired by these tree methods, we introduce several greedy heuristics aiming to compute even faster approximations of OT. We first explicitly establish the equivalence between greedy matching and optimal transport for tree metrics, and then we show that tree greedy matching can be reduced to greedy matching on a one-dimensional line. Next, we propose two new greedy-based algorithms in one dimension: the $k$-Greedy and 1D-ICT algorithms. This novel approach provides Wasserstein approximations with accuracy similar to the original tree methods on text datasets while being faster in practice. Finally, these algorithms are applicable beyond tree approximations: using sliced projections of the original data still provides fairly good accuracy while eliminating the need for embedding the data in a fixed and rigid tree structure. This property makes these approaches even more versatile than the original tree OT methods.

Yong Lin, Hangyu Lin, Wei Xiong, Shizhe Diao, Jianmeng Liu, Jipeng Zhang, Rui Pan, Haoxiang Wang, Wenbin Hu, Hanning Zhang, Hanze Dong, Renjie Pi, Han Zhao, Nan Jiang, Heng Ji, Yuan Yao, Tong Zhang. Proceedings of the 2024 Conference on Empirical Methods in Natural Language Processing. 2024.

This paper introduces the Fair Fairness Benchmark (FFB), a benchmarking framework for in-processing group fairness methods. Ensuring fairness in machine learning is important for ethical compliance. However, there exist challenges in comparing and developing fairness methods due to inconsistencies in experimental settings, lack of accessible algorithmic implementations, and limited extensibility of current fairness packages and tools. To address these issues, we introduce an open-source standardized benchmark for evaluating in-processing group fairness methods and provide a comprehensive analysis of state-of-the-art methods to ensure different notions of group fairness. This work offers the following key contributions: the provision of flexible, extensible, minimalistic, and research-oriented open-source code; the establishment of unified fairness method benchmarking pipelines; and extensive benchmarking, which yields key insights from 45,079 experiments, 14,428 GPU hours. We believe that our work will significantly facilitate the growth and development of the fairness research community. The benchmark is available at https://github.com/ahxt/fair_fairness_benchmark.

Multi-task learning (MTL) considers learning a joint model for multiple tasks by optimizing a convex combination of all task losses. To solve the optimization problem, existing methods use an adaptive weight updating scheme, where task weights are dynamically adjusted based on their respective losses to prioritize difficult tasks. However, these algorithms face a great challenge whenever label noise is present, in which case excessive weights tend to be assigned to noisy tasks that have relatively large Bayes optimal errors, thereby overshadowing other tasks and causing performance to drop across the board. To overcome this limitation, we propose Multi-Task Learning with Excess Risks (ExcessMTL), an excess risk-based task balancing method that updates the task weights by their distances to convergence instead. Intuitively, ExcessMTL assigns higher weights to worse-trained tasks that are further from convergence. To estimate the excess risks, we develop an efficient and accurate method with Taylor approximation. Theoretically, we show that our proposed algorithm achieves convergence guarantees and Pareto stationarity. Empirically, we evaluate our algorithm on various MTL benchmarks and demonstrate its superior performance over existing methods in the presence of label noise. Our code is available at https://github.com/yifei-he/ExcessMTL.

Graph-based methods, pivotal for label inference over interconnected objects in many real-world applications, often encounter generalization challenges, if the graph used for model training differs significantly from the graph used for testing. This work delves into Graph Domain Adaptation (GDA) to address the unique complexities of distribution shifts over graph data, where interconnected data points experience shifts in features, labels, and in particular, connecting patterns. We propose a novel, theoretically principled method, Pairwise Alignment (Pair-Align) to counter graph structure shift by mitigating conditional structure shift (CSS) and label shift (LS). Pair-Align uses edge weights to recalibrate the influence among neighboring nodes to handle CSS and adjusts the classification loss with label weights to handle LS. Our method demonstrates superior performance in real-world applications, including node classification with region shift in social networks, and the pileup mitigation task in particle colliding experiments. For the first application, we also curate the largest dataset by far for GDA studies. Our method shows strong performance in synthetic and other existing benchmark datasets.

This paper describes a differentially private post-processing algorithm for learning fair regressors satisfying statistical parity, addressing privacy concerns of machine learning models trained on sensitive data, as well as fairness concerns of their potential to propagate historical biases. Our algorithm can be applied to post-process any given regressor to improve fairness by remapping its outputs. It consists of three steps: first, the output distributions are estimated privately via histogram density estimation and the Laplace mechanism, then their Wasserstein barycenter is computed, and the optimal transports to the barycenter are used for post-processing to satisfy fairness. We analyze the sample complexity of our algorithm and provide fairness guarantee, revealing a trade-off between the statistical bias and variance induced from the choice of the number of bins in the histogram, in which using less bins always favors fairness at the expense of error.

How can we attribute the behaviors of machine learning models to their training data? While the classic influence function sheds light on the impact of individual samples, it often fails to capture the more complex and pronounced collective influence of a set of samples. To tackle this challenge, we study the Most Influential Subset Selection (MISS) problem, which aims to identify a subset of training samples with the greatest collective influence. We conduct a comprehensive analysis of the prevailing approaches in MISS, elucidating their strengths and weaknesses. Our findings reveal that influence-based greedy heuristics, a dominant class of algorithms in MISS, can provably fail even in linear regression. We delineate the failure modes, including the errors of influence function and the non-additive structure of the collective influence. Conversely, we demonstrate that an adaptive version of these heuristics which applies them iteratively, can effectively capture the interactions among samples and thus partially address the issues. Experiments on real-world datasets corroborate these theoretical findings, and further demonstrate that the merit of adaptivity can extend to more complex scenarios such as classification tasks and non-linear neural networks. We conclude our analysis by emphasizing the inherent trade-off between performance and computational efficiency, questioning the use of additive metrics such as the linear datamodeling score, and offering a range of discussions.

The performance of Transfer Learning (TL) significantly depends on effective pretraining, which not only requires extensive amounts of data but also substantial computational resources. As a result, in practice, it is challenging to successfully perform TL at the level of individual model developers. Federated Learning (FL) addresses these challenges by enabling collaboration among individual clients through an indirect expansion of the available dataset, distribution of the computation burden across different entities, and privacy-preserving communication mechanisms. Despite several attempts to devise effective transferable FL approaches, several important issues remain unsolved. First, existing methods in this setting primarily focus on optimizing transferability within their local client domains, thereby ignoring transferability over the global learning domain. Second, most approaches focus on analyzing indirect transferability metrics, which does not allow for accurate assessment of the final target loss and extent of transferability. To address these issues, we introduce two important FL features into the model. The first boosts transferability via an exchange protocol between the clients and the server that includes information about cross-client Jacobian (gradient) norms. The second feature promotes an increase of the average of the Jacobians of the clients at the server side, which is subsequently used as a local regularizer that reduces the cross-client Jacobian variance. A rigorous analysis of our transferable federated algorithm, termed FedGTST (Federated Global Transferability via Statistics Tuning), reveals that increasing the averaged Jacobian norm across clients and reducing its variance ensures tight control of the target loss. This insight leads to the first known upper bound on the target loss of transferable federated learning in terms of the source loss and source-target domain discrepancy. Extensive experimental results on datasets including MNIST → MNIST-M and CIFAR10 → SVHN suggest that FedGTST significantly outperforms other relevant baselines, such as FedSR. For example, on the second source-target dataset pair, we improve the accuracy of FedSR by 9.8% and that of FedIIR by 7.6% when the backbone used is LeNet.

Most real-world datasets consist of a natural hierarchy between classes or an inherent label structure that is either already available or can be constructed cheaply. However, most existing representation learning methods ignore this hierarchy, treating labels as permutation invariant. Recent work [Zeng et al., 2022] proposes using this structured information explicitly, but the use of Euclidean distance may distort the underlying semantic context [Chen et al., 2013]. In this work, motivated by the advantage of hyperbolic spaces in modeling hierarchical relationships, we propose a novel approach HypStructure: a Hyperbolic Structured regularization approach to accurately embed the label hierarchy into the learned representations. HypStructure is a simple-yet-effective regularizer that consists of a hyperbolic tree-based representation loss along with a centering loss, and can be combined with any standard task loss to learn hierarchy-informed features. Extensive experiments on several large-scale vision benchmarks demonstrate the efficacy of HypStructure in reducing distortion and boosting generalization performance especially under low dimensional scenarios. For a better understanding of structured representation, we perform eigenvalue analysis that links the representation geometry to improved Out-of-Distribution (OOD) detection performance seen empirically.

Probabilistic circuits (PCs) have emerged as a powerful framework compactly representing probability distributions for efficient and exact probabilistic inference. It has been shown that PCs with general directed acyclic graph (DAG) structure can be understood as a mixture of exponentially (in its height) many components, each of which is a product distributions over univariate marginals. However, existing structure learning algorithms for PCs often generate tree-structured circuits, or using tree-structured circuits as intermediate steps to compress them into DAG-structured circuits. This leads to an intriguing question on whether there exists an exponential gap between DAGs and trees for the PC structure. In this paper, we provide a negative answer to this conjecture by proving that, for $n$ variables, there is a quasi-polynomial upper bound $n^{O(\log n)}$ on the size of an equivalent tree computing the same probability distribution. On the other hand, we will also show that given a depth restriction on the tree, there is a super-polynomial separation between tree and DAG-structured PCs. Our work takes an important step towards understanding the expressive power of tree-structured PCs, and our techniques may be of independent interest in the study of structure learning algorithms for PCs.

Multiobjective optimization problems (MOPs) are prevalent in machine learning, with applications in multi-task learning, learning under fairness or robustness constraints, etc. Instead of reducing multiple objective functions into a scalar objective, MOPs aim to optimize for the so-called Pareto optimality or Pareto set learning, which involves optimizing more than one objective function simultaneously, over models with thousands to millions of parameters. Existing benchmark libraries for MOPs mainly focus on evolutionary algorithms, most of which are zeroth-order or meta-heuristic methods that do not effectively utilize higher-order information from objectives and cannot scale to large-scale models with millions of parameters. In light of the above challenges, this paper introduces \algoname, the first multiobjective optimization library that supports state-of-the-art gradient-based methods, provides a fair and comprehensive benchmark, and is open-sourced for the community.

OBJECTIVES: Artificial intelligence (AI) systems have the potential to revolutionize clinical practices, including improving diagnostic accuracy and surgical decision-making, while also reducing costs and manpower. However, it is important to recognize that these systems may perpetuate social inequities or demonstrate biases, such as those based on race or gender. Such biases can occur before, during, or after the development of AI models, making it critical to understand and address potential biases to enable the accurate and reliable application of AI models in clinical settings. To mitigate bias concerns during model development, we surveyed recent publications on different debiasing methods in the fields of biomedical natural language processing (NLP) or computer vision (CV). Then we discussed the methods, such as data perturbation and adversarial learning, that have been applied in the biomedical domain to address bias. METHODS: We performed our literature search on PubMed, ACM digital library, and IEEE Xplore of relevant articles published between January 2018 and December 2023 using multiple combinations of keywords. We then filtered the result of 10,041 articles automatically with loose constraints, and manually inspected the abstracts of the remaining 890 articles to identify the 55 articles included in this review. Additional articles in the references are also included in this review. We discuss each method and compare its strengths and weaknesses. Finally, we review other potential methods from the general domain that could be applied to biomedicine to address bias and improve fairness. RESULTS: The bias of AIs in biomedicine can originate from multiple sources such as insufficient data, sampling bias and the use of health-irrelevant features or race-adjusted algorithms. Existing debiasing methods that focus on algorithms can be categorized into distributional or algorithmic. Distributional methods include data augmentation, data perturbation, data reweighting methods, and federated learning. Algorithmic approaches include unsupervised representation learning, adversarial learning, disentangled representation learning, loss-based methods and causality-based methods.

Unsupervised domain adaptation (UDA) adapts a model from a labeled source domain to an unlabeled target domain in a one-off way. Though widely applied, UDA faces a great challenge whenever the distribution shift between the source and the target is large. Gradual domain adaptation (GDA) mitigates this limitation by using intermediate domains to gradually adapt from the source to the target domain. In this work, we first theoretically analyze gradual self-training, a popular GDA algorithm, and provide a significantly improved generalization bound compared with Kumar et al. (2020). Our theoretical analysis leads to an interesting insight: to minimize the generalization error on the target domain, the sequence of intermediate domains should be placed uniformly along the Wasserstein geodesic between the source and target domains. The insight is particularly useful under the situation where intermediate domains are missing or scarce, which is often the case in real-world applications. Based on the insight, we propose Generative Gradual Domain Adaptation with Optimal Transport (GOAT), an algorithmic framework that can generate intermediate domains in a data-dependent way. More concretely, we first generate intermediate domains along the Wasserstein geodesic between two given consecutive domains in a feature space, then apply gradual self-training to adapt the source-trained classifier to the target along the sequence of intermediate domains. Empirically, we demonstrate that our GOAT framework can improve the performance of standard GDA when the given intermediate domains are scarce, significantly broadening the real-world application scenarios of GDA. Our code is available at https://github.com/uiuctml/GOAT.

Multimodal learning aims to learn from data of different modalities by fusing information from heterogeneous sources. Although it is beneficial to learn from more modalities, it is often infeasible to use all available modalities under limited computational resources. Modeling with all available modalities can also be inefficient and unnecessary when information across input modalities overlaps. In this paper, we study the modality selection problem, which aims to select the most useful subset of modalities for learning under a cardinality constraint. To that end, we propose a unified theoretical framework to quantify the learning utility of modalities, and we identify dependence assumptions to flexibly model the heterogeneous nature of multimodal data, which also allows efficient algorithm design. Accordingly, we derive a greedy modality selection algorithm via submodular maximization, which selects the most useful modalities with an optimality guarantee on learning performance. We also connect marginal-contribution-based feature importance scores, such as Shapley value, from the feature selection domain to the context of modality selection, to efficiently compute the importance of individual modality. We demonstrate the efficacy of our theoretical results and modality selection algorithms on 2 synthetic and 4 real-world data sets on a diverse range of multimodal data.

Computing the dominant eigenvectors of a matrix $A$ has many applications, such as principal component analysis, spectral embedding, and PageRank. However, in general, this task relies on the complete knowledge of the matrix $A$, which can be too large to store or even infeasible to observe in many applications, e.g., large-scale social networks. Thus, a natural question is how to accurately estimate the eigenvectors of $A$ when only partial observations can be made by sampling entries from $A$. To this end, we propose the Adaptive Power Method (\textsc{APM}), a variant of the well-known power method. At each power iteration, \textsc{APM} adaptively selects a subset of the entries of $A$ to observe based on the current estimate of the top eigenvector. We show that \textsc{APM} can estimate the dominant eigenvector(s) of $A$ with squared error at most $\epsilon$ by observing roughly $O(n\epsilon^{-2} \log^2 (n/\epsilon))$ entries of an $n\times n$ matrix. We present empirical results for the problem of eigenvector centrality computation on two real-world graphs and show that \textsc{APM} significantly outperforms a non-adaptive estimation algorithm using the same number of observations. Furthermore, in the context of eigenvector centrality, \textsc{APM} can also adaptively allocate the observation budget to selectively refine the estimate of nodes with high centrality scores in the graph.

Contrastive loss has been increasingly used in learning representations from multiple modalities. In the limit, the nature of the contrastive loss encourages modalities to exactly match each other in the latent space. Yet it remains an open question how the modality alignment affects the downstream task performance. In this paper, based on an information-theoretic argument, we first prove that exact modality alignment is sub-optimal in general for down-stream prediction tasks. Hence we advocate that the key of better performance lies in meaningful latent modality structures instead of perfect modality alignment. To this end, we propose three general approaches to construct latent modality structures. Specifically, we design 1) a deep feature separation loss for intra-modality regularization; 2) a Brownian-bridge loss for inter-modality regularization; and 3) a geometric consistency loss for both intra- and intermodality regularization. Extensive experiments are conducted on two popular multi-modal representation learning frameworks: the CLIP-based two-tower model and the ALBEF-based fusion model. We test our model on a variety of tasks including zero/few-shot image classification, image-text retrieval, visual question answering, visual reasoning, and visual entailment. Our method achieves consistent improvements over existing methods, demonstrating the effectiveness and generalizability of our proposed approach on latent modality structure regularization.

While it has long been empirically observed that adversarial robustness may be at odds with standard accuracy and may have further disparate impacts on different classes, it remains an open question to what extent such observations hold and how the class imbalance plays a role within. In this paper, we attempt to understand this question of accuracy disparity by taking a closer look at linear classifiers under a Gaussian mixture model. We decompose the impact of adversarial robustness into two parts: an inherent effect that will degrade the standard accuracy on all classes due to the robustness constraint, and the other caused by the class imbalance ratio, which will increase the accuracy disparity compared to standard training. Furthermore, we also show that such effects extend beyond the Gaussian mixture model, by generalizing our data model to the general family of stable distributions. More specifically, we demonstrate that while the constraint of adversarial robustness consistently degrades the standard accuracy in the balanced class setting, the class imbalance ratio plays a fundamentally different role in accuracy disparity compared to the Gaussian case, due to the heavy tail of the stable distribution. We additionally perform experiments on both synthetic and real-world datasets to corroborate our theoretical findings. Our empirical results also suggest that the implications may extend to nonlinear models over real-world datasets. Our code is publicly available on GitHub at https://github.com/Accuracy-Disparity/AT-on-AD.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

To mitigate the bias exhibited by machine learning models, fairness criteria can be integrated into the training process to ensure fair treatment across all demographics, but it often comes at the expense of model performance. Understanding such tradeoffs, therefore, underlies the design of fair algorithms. To this end, this paper provides a complete characterization of the inherent tradeoff of demographic parity on classification problems, under the most general multi-group, multi-class, and noisy setting. Specifically, we show that the minimum error rate achievable by randomized and attribute-aware fair classifiers is given by the optimal value of a Wasserstein-barycenter problem. On the practical side, our findings lead to a simple post-processing algorithm that derives fair classifiers from score functions, which yields the optimal fair classifier when the score is Bayes optimal. We provide suboptimality analysis and sample complexity for our algorithm, and demonstrate its effectiveness on benchmark datasets.

Linear scalarization, i.e., combining all loss functions by a weighted sum, has been the default choice in the literature of multi-task learning (MTL) since its inception. In recent years, there is a surge of interest in developing Specialized Multi-Task Optimizers (SMTOs) that treat MTL as a multi-objective optimization problem. However, it remains open whether there is a fundamental advantage of SMTOs over scalarization. In fact, heated debates exist in the community comparing these two types of algorithms, mostly from an empirical perspective. To approach the above question, in this paper, we revisit scalarization from a theoretical perspective. We focus on linear MTL models and study whether scalarization is capable of fully exploring the Pareto front. Our findings reveal that, in contrast to recent works that claimed empirical advantages of scalarization, scalarization is inherently incapable of full exploration, especially for those Pareto optimal solutions that strike the balanced trade-offs between multiple tasks. More concretely, when the model is under-parametrized, we reveal a multi-surface structure of the feasible region and identify necessary and sufficient conditions for full exploration. This leads to the conclusion that scalarization is in general incapable of tracing out the Pareto front. Our theoretical results partially answer the open questions in Xin et al. (2021), and provide a more intuitive explanation on why scalarization fails beyond non-convexity. We additionally perform experiments on a real-world dataset using both scalarization and state-of-the-art SMTOs. The experimental results not only corroborate our theoretical findings, but also unveil the potential of SMTOs in finding balanced solutions, which cannot be achieved by scalarization.

Graph Neural Networks (GNNs) are a powerful class of machine learning models with applications in recommender systems, drug discovery, social network analysis, and computer vision. One challenge with their implementation is that GNNs often take large-scale graphs as inputs, which imposes significant computational/storage costs in the training and testing phases. In particular, the message passing operations of a GNN require multiplication of the graph adjacency matrix $A \in \mathbb{R}^{n \times n}$ and the data matrix $X \in \mathbb{R}^{n \times d}$, and the $O(n^2 d)$ time complexity can be prohibitive for large $n$. Thus, a natural question is whether it is possible to perform the GNN operations in (quasi-)linear time by avoiding the full computation of $A X$. To study this question, we consider the setting of a regression task on a two-layer Linear Graph Convolutional Network (GCN). We develop an efficient training algorithm based on (1) performing node subsampling, (2) estimating the leverage scores of $A X$ based on the subsampled graph, and (3) performing leverage score sampling on $A X$. We show that our proposed scheme learns the regression model observing only $O(nd\epsilon^{-2}\log n)$ entries of $A$ in time $O(nd^2 \epsilon^{-2}\log n)$, with the guarantee that the learned weights deviate by at most $\epsilon$ under the $\ell_2$ norm from the model learned using the entire adjacency matrix $A$. We present empirical results for regression problems on real-world graphs and show that our algorithm significantly outperforms other baseline sampling strategies that exploit the same number of observations.

Domain adaptation aims to transfer the knowledge learned on (data-rich) source domains to (low-resource) target domains, and a popular method is invariant representation learning, which matches and aligns the data distributions on the feature space. Although this method is studied extensively and applied on classification and regression problems, its adoption on ranking problems is sporadic, and the few existing implementations lack theoretical justifications. This paper revisits invariant representation learning for ranking. Upon reviewing prior work, we found that they implement what we call item-level alignment, which aligns the distributions of the items being ranked from all lists in aggregate but ignores their list structure. However, the list structure should be leveraged, because it is intrinsic to ranking problems where the data and the metrics are defined and computed on lists, not the items by themselves. To close this discrepancy, we propose list-level alignment—learning domain-invariant representations at the higher level of lists. The benefits are twofold: it leads to the first domain adaptation generalization bound for ranking, in turn providing theoretical support for the proposed method, and it achieves better empirical transfer performance for unsupervised domain adaptation on ranking tasks, including passage reranking.

Compared to model-free reinforcement learning (RL), model-based RL is often more sample efficient by leveraging a learned dynamics model to help decision making. However, the learned model is usually not perfectly accurate and the error will compound in multi-step predictions, which can lead to poor asymptotic performance. In this paper, we first derive an upper bound of the return discrepancy between the real dynamics and the learned model, which reveals the fundamental problem of distribution shift between simulated data and real data. Inspired by the theoretical analysis, we propose an adaptation augmented model-based policy optimization (AMPO) framework to address the distribution shift problem from the perspectives of feature learning and instance re-weighting, respectively. Specifically, the feature-based variant, namely FAMPO, introduces unsupervised model adaptation to minimize the integral probability metric (IPM) between feature distributions from real and simulated data, while the instance-based variant, termed as IAMPO, utilizes importance sampling to re-weight the real samples used to train the model. Besides model learning, we also investigate how to improve policy optimization in the model usage phase by selecting simulated samples with different probability according to their uncertainty. Extensive experiments on challenging continuous control tasks show that FAMPO and IAMPO, coupled with our model usage technique, achieves superior performance against baselines, which demonstrates the effectiveness of the proposed methods.

Invariant risk minimization (IRM) has recently emerged as a promising alternative for domain generalization. Nevertheless, the loss function is difficult to optimize for nonlinear classifiers and the original optimization objective could fail when pseudo-invariant features and geometric skews exist. Inspired by IRM, in this paper we propose a novel formulation for domain generalization, dubbed invariant information bottleneck (IIB). IIB aims at minimizing invariant risks for nonlinear classifiers and simultaneously mitigating the impact of pseudo-invariant features and geometric skews. Specifically, we first present a novel formulation for invariant causal prediction via mutual information. Then we adopt the variational formulation of the mutual information to develop a tractable loss function for nonlinear classifiers. To overcome the failure modes of IRM, we propose to minimize the mutual information between the inputs and the corresponding representations. IIB significantly outperforms IRM on synthetic datasets, where the pseudo-invariant features and geometric skews occur, showing the effectiveness of proposed formulation in overcoming failure modes of IRM. Furthermore, experiments on DomainBed show that IIB outperforms 13 baselines by 0.9% on average across 7 real datasets.

Algorithmic decisions made by machine learning models in high-stakes domains may have lasting impacts over time. However, naive applications of standard fairness criterion in static settings over temporal domains may lead to delayed and adverse effects. To understand the dynamics of performance disparity, we study a fairness problem in Markov decision processes (MDPs). Specifically, we propose return parity, a fairness notion that requires MDPs from different demographic groups that share the same state and action spaces to achieve approximately the same expected time-discounted rewards. We first provide a decomposition theorem for return disparity, which decomposes the return disparity of any two MDPs sharing the same state and action spaces into the distance between group-wise reward functions, the discrepancy of group policies, and the discrepancy between state visitation distributions induced by the group policies. Motivated by our decomposition theorem, we propose algorithms to mitigate return disparity via learning a shared group policy with state visitation distributional alignment using integral probability metrics. We conduct experiments to corroborate our results, showing that the proposed algorithm can successfully close the disparity gap while maintaining the performance of policies on two real-world recommender system benchmark datasets.

Models trained with offline data often suffer from continual distribution shifts and expensive labeling in changing environments. This calls for a new online learning paradigm where the learner can continually adapt to changing environments with limited labels. In this paper, we propose a new online setting – Online Active Continual Adaptation, where the learner aims to continually adapt to changing distributions using both unlabeled samples and active queries of limited labels. To this end, we propose Online Self-Adaptive Mirror Descent (OSAMD), which adopts an online teacher-student structure to enable online self-training from unlabeled data, and a margin-based criterion that decides whether to query the labels to track changing distributions. Theoretically, we show that, in the separable case, OSAMD has an $O({T}^{2/3})$ dynamic regret bound under mild assumptions, which is aligned with the $\Omega(T^{2/3})$ lower bound of online learning algorithms with full labels. In the general case, we show a regret bound of $O({T}^{2/3} + \alpha^* T)$, where $\alpha^*$ denotes the separability of domains and is usually small. Our theoretical results show that OSAMD can fast adapt to changing environments with active queries. Empirically, we demonstrate that OSAMD achieves favorable regrets under changing environments with limited labels on both simulated and real-world data, which corroborates our theoretical findings.

The Controllable Variational Autoencoder (ControlVAE) combines automatic control theory with the basic VAE model to manipulate the KL-divergence for overcoming posterior collapse and learning disentangled representations. It has shown success in a variety of applications, such as image generation, disentangled representation learning, and language modeling. However, when it comes to disentangled representation learning, ControlVAE does not delve into the rationale behind it. The goal of this paper is to develop a deeper understanding of ControlVAE in learning disentangled representations, including the choice of a desired KL-divergence (i.e, set point), and its stability during training. We first fundamentally explain its ability to disentangle latent variables from an information bottleneck perspective. We show that KL-divergence is an upper bound of the variational information bottleneck. By controlling the KL-divergence gradually from a small value to a target value, ControlVAE can disentangle the latent factors one by one. Based on this finding, we propose a new DynamicVAE that leverages a modified incremental PI (proportionalintegral) controller, a variant of the proportional-integralderivative (PID) algorithm, and employs a moving average as well as a hybrid annealing method to evolve the value of KL-divergence smoothly in a tightly controlled fashion. In addition, we analytically derive a lower bound of the set point for disentangling. We then theoretically prove the stability of the proposed approach. Evaluation results on multiple benchmark datasets demonstrate that DynamicVAE achieves a good trade-off between the disentanglement and reconstruction quality. We also discover that it can separate disentangled representation learning and re-construction via manipulating the desired KL-divergence.

The vast majority of existing algorithms for unsupervised domain adaptation (UDA) focus on adapting from a labeled source domain to an unlabeled target domain directly in a one-off way. Gradual domain adaptation (GDA), on the other hand, assumes a path of $(T-1)$ unlabeled intermediate domains bridging the source and target, and aims to provide better generalization in the target domain by leveraging the intermediate ones. Under certain assumptions, Kumar et al. (2020) proposed a simple algorithm, Gradual Self-Training, along with a generalization bound in the order of $e^{O(T)} \left(\varepsilon_0+O\left(\sqrt{log(T)/n}\right)\right)$ for the target domain error, where $\varepsilon_0$ is the source domain error and $n$ is the data size of each domain. Due to the exponential factor, this upper bound becomes vacuous when $T$ is only moderately large. In this work, we analyze gradual self-training under more general and relaxed assumptions, and prove a significantly improved generalization bound as $\widetilde{O}\left(\varepsilon_0 + T\Delta + T/\sqrt{n} + 1/\sqrt{nT}\right)$, where $\Delta$ is the average distributional distance between consecutive domains. Compared with the existing bound with an exponential dependency on $T$ as a multiplicative factor, our bound only depends on $T$ linearly and additively. Perhaps more interestingly, our result implies the existence of an optimal choice of $T$ that minimizes the generalization error, and it also naturally suggests an optimal way to construct the path of intermediate domains so as to minimize the accumulative path length $T\Delta$ between the source and target. To corroborate the implications of our theory, we examine gradual self-training on multiple semi-synthetic and real datasets, which confirms our findings. We believe our insights provide a path forward toward the design of future GDA algorithms.

Domain generalization asks for models trained over a set of training environments to perform well in unseen test environments. Recently, a series of algorithms such as Invariant Risk Minimization (IRM) has been proposed for domain generalization. However, Rosenfeld et al. (2021) shows that in a simple linear data model, even if non-convexity issues are ignored, IRM and its extensions cannot generalize to unseen environments with less than $d_s+1$ training environments, where $d_s$ is the dimension of the spurious-feature subspace. In this paper, we propose to achieve domain generalization with Invariant-feature Subspace Recovery (ISR). Our first algorithm, ISR-Mean, can identify the subspace spanned by invariant features from the first-order moments of the class-conditional distributions, and achieve provable domain generalization with $d_s+1$ training environments under the data model of Rosenfeld et al. (2021). Our second algorithm, ISR-Cov, further reduces the required number of training environments to $O(1)$ using the information of second-order moments. Notably, unlike IRM, our algorithms bypass non-convexity issues and enjoy global convergence guarantees. Empirically, our ISRs can obtain superior performance compared with IRM on synthetic benchmarks. In addition, on three real-world image and text datasets, we show that both ISRs can be used as simple yet effective post-processing methods to improve the worst-case accuracy of (pre-)trained models against spurious correlations and group shifts.

Multimodal learning considers learning from multi-modality data, aiming to fuse heterogeneous sources of information. However, it is not always feasible to leverage all available modalities due to memory constraints. Further, training on all the modalities may be inefficient when redundant information exists within data, such as different subsets of modalities providing similar performance. In light of these challenges, we study modality selection, intending to efficiently select the most informative and complementary modalities under certain computational constraints. We formulate a theoretical framework for optimizing modality selection in multimodal learning and introduce a utility measure to quantify the benefit of selecting a modality. For this optimization problem, we present efficient algorithms when the utility measure exhibits monotonicity and approximate submodularity. We also connect the utility measure with existing Shapley-value-based feature importance scores. Last, we demonstrate the efficacy of our algorithm on synthetic (Patch-MNIST) and real-world (PEMS-SF, CMU-MOSI) datasets.

A wide range of machine learning applications such as privacy-preserving learning, algorithmic fairness, and domain adaptation/generalization among others, involve learning invariant representations of the data that aim to achieve two competing goals: (a) maximize information or accuracy with respect to a target response, and (b) maximize invariance or independence with respect to a set of protected features (e.g.\ for fairness, privacy, etc). Despite their wide applicability, theoretical understanding of the optimal tradeoffs --- with respect to accuracy, and invariance --- achievable by invariant representations is still severely lacking. In this paper, we provide an information theoretic analysis of such tradeoffs under both classification and regression settings. More precisely, we provide a geometric characterization of the accuracy and invariance achievable by any representation of the data; we term this feasible region the information plane. We provide an inner bound for this feasible region for the classification case, and an exact characterization for the regression case, which allows us to either bound or exactly characterize the Pareto optimal frontier between accuracy and invariance. Although our contributions are mainly theoretical, a key practical application of our results is in certifying the potential sub-optimality of any given representation learning algorithm for either classification or regression tasks. Our results shed new light on the fundamental interplay between accuracy and invariance, and may be useful in guiding the design of future representation learning algorithms.

Real-world applications of machine learning tools in high-stakes domains are often regulated to be fair, in the sense that the predicted target should satisfy some quantitative notion of parity with respect to a protected attribute. However, the exact tradeoff between fairness and accuracy is not entirely clear, even for the basic paradigm of classification problems. In this paper, we characterize an inherent tradeoff between statistical parity and accuracy in the classification setting by providing a lower bound on the sum of group-wise errors of any fair classifiers. Our impossibility theorem could be interpreted as a certain uncertainty principle in fairness: if the base rates differ among groups, then any fair classifier satisfying statistical parity has to incur a large error on at least one of the groups. We further extend this result to give a lower bound on the joint error of any (approximately) fair classifiers, from the perspective of learning fair representations. To show that our lower bound is tight, assuming oracle access to Bayes (potentially unfair) classifiers, we also construct an algorithm that returns a randomized classifier which is both optimal (in terms of accuracy) and fair. Interestingly, when the protected attribute can take more than two values, an extension of this lower bound does not admit an analytic solution. Nevertheless, in this case, we show that the lower bound can be efficiently computed by solving a linear program, which we term as the TV-Barycenter problem, a barycenter problem under the TV-distance. On the upside, we prove that if the group-wise Bayes optimal classifiers are close, then learning fair representations leads to an alternative notion of fairness, known as the accuracy parity, which states that the error rates are close between groups. Finally, we also conduct experiments on real-world datasets to confirm our theoretical findings.

Large-scale labeled training datasets have enabled deep neural networks to excel across a wide range of benchmark vision tasks. However, in many applications, it is prohibitively expensive and time-consuming to obtain large quantities of labeled data. To cope with limited labeled training data, many have attempted to directly apply models trained on a large-scale labeled source domain to another sparsely labeled or unlabeled target domain. Unfortunately, direct transfer across domains often performs poorly due to the presence of domain shift or dataset bias. Domain adaptation (DA) is a machine learning paradigm that aims to learn a model from a source domain that can perform well on a different (but related) target domain. In this article, we review the latest single-source deep unsupervised DA methods focused on visual tasks and discuss new perspectives for future research. We begin with the definitions of different DA strategies and the descriptions of existing benchmark datasets. We then summarize and compare different categories of single-source unsupervised DA methods, including discrepancy-based methods, adversarial discriminative methods, adversarial generative methods, and self-supervision-based methods. Finally, we discuss future research directions with challenges and possible solutions.

The success of supervised learning hinges on the assumption that the training and test data come from the same underlying distribution, which is often not valid in practice due to potential distribution shift. In light of this, most existing methods for unsupervised domain adaptation focus on achieving domain-invariant representations and small source domain error. However, recent works have shown that this is not sufficient to guarantee good generalization on the target domain, and in fact, is provably detrimental under label distribution shift. Furthermore, in many real-world applications it is often feasible to obtain a small amount of labeled data from the target domain and use them to facilitate model training with source data. Inspired by the above observations, in this paper we propose the first method that aims to simultaneously learn invariant representations and risks under the setting of semi-supervised domain adaptation (Semi-DA). First, we provide a finite sample bound for both classification and regression problems under Semi-DA. The bound suggests a principled way to obtain target generalization, i.e., by aligning both the marginal and conditional distributions across domains in feature space. Motivated by this, we then introduce the LIRR algorithm for jointly Learning Invariant Representations and Risks. Finally, extensive experiments are conducted on both classification and regression tasks, which demonstrate that LIRR consistently achieves state-of-the-art performance and significant improvements compared with the methods that only learn invariant representations or invariant risks. Our code will be released at LIRR@github

With the widespread deployment of large-scale prediction systems in high-stakes domains, e.g., face recognition, criminal justice, etc., disparity on prediction accuracy between different demographic subgroups has called for fundamental understanding on the source of such disparity and algorithmic intervention to mitigate it. In this paper, we study the accuracy disparity problem in regression. To begin with, we first propose an error decomposition theorem, which decomposes the accuracy disparity into the distance between marginal label distributions and the distance between conditional representations, to help explain why such accuracy disparity appears in practice. Motivated by this error decomposition and the general idea of distribution alignment with statistical distances, we then propose an algorithm to reduce this disparity, and analyze its game-theoretic optima of the proposed objective functions. To corroborate our theoretical findings, we also conduct experiments on five benchmark datasets. The experimental results suggest that our proposed algorithms can effectively mitigate accuracy disparity while maintaining the predictive power of the regression models.

While the advent of Graph Neural Networks (GNNs) has greatly improved node and graph representation learning in many applications, the neighborhood aggregation scheme exposes additional vulnerabilities to adversaries seeking to extract node-level information about sensitive attributes. In this paper, we study the problem of protecting sensitive attributes by information obfuscation when learning with graph structured data. We propose a framework to locally filter out pre-determined sensitive attributes via adversarial training with the total variation and the Wasserstein distance. Our method creates a strong defense against inference attacks, while only suffering small loss in task performance. Theoretically, we analyze the effectiveness of our framework against a worst-case adversary, and characterize an inherent trade-off between maximizing predictive accuracy and minimizing information leakage. Experiments across multiple datasets from recommender systems, knowledge graphs and quantum chemistry demonstrate that the proposed approach provides a robust defense across various graph structures and tasks, while producing competitive GNN encoders for downstream tasks.

Multi-task learning (MTL) aims to improve the generalization of several related tasks by learning them jointly. As a comparison, in addition to the joint training scheme, modern meta-learning allows unseen tasks with limited labels during the test phase, in the hope of fast adaptation over them. Despite the subtle difference between MTL and meta-learning in the problem formulation, both learning paradigms share the same insight that the shared structure between existing training tasks could lead to better generalization and adaptation. In this paper, we take one important step further to understand the close connection between these two learning paradigms, through both theoretical analysis and empirical investigation. Theoretically, we first demonstrate that MTL shares the same optimization formulation with a class of gradient-based meta-learning (GBML) algorithms. We then prove that for over-parameterized neural networks with sufficient depth, the learned predictive functions of MTL and GBML are close. In particular, this result implies that the predictions given by these two models are similar over the same unseen task. Empirically, we corroborate our theoretical findings by showing that, with proper implementation, MTL is competitive against state-of-the-art GBML algorithms on a set of few-shot image classification benchmarks. Since existing GBML algorithms often involve costly second-order bi-level optimization, our first-order MTL method is an order of magnitude faster on large-scale datasets such as mini-ImageNet. We believe this work could help bridge the gap between these two learning paradigms, and provide a computationally efficient alternative to GBML that also supports fast task adaptation.

Consumers leave digital footprints through large volumes of heterogeneous data which is a wealth of commercial value for firms, waiting to be mined. While there are initial success stories, this area is still under-explored. Further research and communication between the ML community and business community are needed to better align the objectives and create more successful applications. While machine learning is equipped to handle a variety of raw data for predictive tasks, without the theoretical insights from economics and consumer behavior to guide ML models, extracting generalizable insights with clear managerial implications and formulating impactful policies remain elusive. This workshop aims to promote further communication between these disciplines to foster synergistic development of impactful research that could benefit one another.

Out-of-distribution generalization is one of the key challenges when transferring a model from the lab to the real world. Existing efforts mostly focus on building invariant features among source and target domains. Based on invariant features, a high-performing classifier on source domains could hopefully behave equally well on a target domain. In other words, we hope the invariant features to be \emph{transferable}. However, in practice, there are no perfectly transferable features, and some algorithms seem to learn ``more transferable'' features than others. How can we understand and quantify such \emph{transferability}? In this paper, we formally define transferability that one can quantify and compute in domain generalization. We point out the difference and connection with common discrepancy measures between domains, such as total variation and Wasserstein distance. We then prove that our transferability can be estimated with enough samples and give a new upper bound for the target error based on our transferability. Empirically, we evaluate the transferability of the feature embeddings learned by existing algorithms for domain generalization. Surprisingly, we find that many algorithms are not quite learning transferable features, although few could still survive. In light of this, we propose a new algorithm for learning transferable features and test it over various benchmark datasets, including RotatedMNIST, PACS, Office-Home and WILDS-FMoW. Experimental results show that the proposed algorithm achieves consistent improvement over many state-of-the-art algorithms, corroborating our theoretical findings.

Fair clustering aims to hide sensitive attributes during data partition by balancing the distribution of protected subgroups in each cluster. Existing work attempts to address this problem by reducing it to a classical balanced clustering with a constraint on the proportion of protected subgroups of the input space. However, the input space may limit the clustering performance, and so far only low-dimensional datasets have been considered. In light of these limitations, in this paper, we propose Deep Fair Clustering (DFC) to learn fair and clustering-favorable representations for clustering simultaneously. Our approach could effectively filter out sensitive attributes from representations, and also lead to representations that are amenable for the following cluster analysis. Theoretically, we show that our fairness constraint in DFC will not incur much loss in terms of several clustering metrics. Empirically, we provide extensive experimental demonstrations on four visual datasets to corroborate the superior performance of the proposed approach over existing fair clustering and deep clustering methods on both cluster validity and fairness criterion.

The goal of universal machine translation is to learn to translate between any pair of languages. Despite impressive empirical results and an increasing interest in massively multilingual models, theoretical analysis on translation errors made by such universal machine translation models is only nascent. In this paper, we formally prove certain impossibilities of this endeavour in general, as well as prove positive results in the presence of additional (but natural) structure of data. For the former, we derive a lower bound on the translation error in the many-to-many translation setting, which shows that any algorithm aiming to learn shared sentence representations among multiple language pairs has to make a large translation error on at least one of the translation tasks, if no assumption on the structure of the languages is made. For the latter, we show that if the paired documents in the corpus follow a natural \emph{encoder-decoder} generative process, we can expect a natural notion of “generalization”: a linear number of language pairs, rather than quadratic, suffices to learn a good representation. Our theory also explains what kinds of connection graphs between pairs of languages are better suited: ones with longer paths result in worse sample complexity. We believe our theoretical insights and implications contribute to the future algorithmic design of universal machine translation.

Crowdsourced data used in machine learning services might carry sensitive information about attributes that users do not want to share. Various methods have been proposed to minimize the potential information leakage of sensitive attributes while maximizing the task accuracy. However, little is known about the theory behind these methods. In light of this gap, we develop a novel theoretical framework for attribute obfuscation. Under our framework, we propose a minimax optimization formulation to protect the given attribute and analyze its inference guarantees against worst-case adversaries. Meanwhile, there is a tension between minimizing information leakage and maximizing task accuracy. To understand this, we prove an information-theoretic lower bound to precisely characterize the fundamental trade-off between accuracy and information leakage. We conduct experiments on two real-world datasets to corroborate the inference guarantees and validate the inherent trade-offs therein. Our results indicate that, among several alternatives, the adversarial learning approach achieves the best trade-off in terms of attribute obfuscation and accuracy maximization.

Model-based reinforcement learning methods learn a dynamics model with real data sampled from the environment and leverage it to generate simulated data to derive an agent. However, due to the potential distribution mismatch between simulated data and real data, this could lead to degraded performance. Despite much effort being devoted to reducing this distribution mismatch, existing methods fail to solve it explicitly. In this paper, we investigate how to bridge the gap between real and simulated data due to inaccurate model estimation for better policy optimization. To begin with, we first derive a lower bound of the expected return, which naturally inspires a bound maximization algorithm by aligning the simulated and real data distributions. To this end, we propose a novel model-based reinforcement learning framework AMPO, which introduces unsupervised model adaptation to minimize the integral probability metric (IPM) between feature distributions from real and simulated data. Instantiating our framework with Wasserstein-1 distance gives a practical model-based approach. Empirically, our approach achieves state-of-the-art performance in terms of sample efficiency on a range of continuous control benchmark tasks.

Adversarial learning has demonstrated good performance in the unsupervised domain adaptation setting, by learning domain-invariant representations. However, recent work has shown limitations of this approach when label distributions differ between the source and target domains. In this paper, we propose a new assumption, \textit{generalized label shift} ($\glsa$), to improve robustness against mismatched label distributions. $\glsa$ states that, conditioned on the label, there exists a representation of the input that is invariant between the source and target domains. Under $\glsa$, we provide theoretical guarantees on the transfer performance of any classifier. We also devise necessary and sufficient conditions for $\glsa$ to hold, by using an estimation of the relative class weights between domains and an appropriate reweighting of samples. Our weight estimation method could be straightforwardly and generically applied in existing domain adaptation (DA) algorithms that learn domain-invariant representations, with small computational overhead. In particular, we modify three DA algorithms, JAN, DANN and CDAN, and evaluate their performance on standard and artificial DA tasks. Our algorithms outperform the base versions, with vast improvements for large label distribution mismatches. Our code is available at \url{https://tinyurl.com/y585xt6j}.

Since its inception, the neural estimation of mutual information (MI) has demonstrated the empirical success of modeling expected dependency between high-dimensional random variables. However, MI is an aggregate statistic and cannot be used to measure point-wise dependency between different events. In this work, instead of estimating the expected dependency, we focus on estimating point-wise dependency (PD), which quantitatively measures how likely two outcomes co-occur. We show that we can naturally obtain PD when we are optimizing MI neural variational bounds. However, optimizing these bounds is challenging due to its large variance in practice. To address this issue, we develop two methods (free of optimizing MI variational bounds): Probabilistic Classifier and Density-Ratio Fitting. We demonstrate the effectiveness of our approaches in 1) MI estimation, 2) self-supervised representation learning, and 3) cross-modal retrieval task.

Early identification of patients at risk for postoperative complications can facilitate timely workups and treatments and improve health outcomes. Currently, a widely-used surgical risk calculator online web system developed by the American College of Surgeons (ACS) uses patients’ static features, e.g. gender, age, to assess the risk of postoperative complications. However, the most crucial signals that reflect the actual postoperative physical conditions of patients are usually real-time dynamic signals, including the vital signs of patients (e.g., heart rate, blood pressure) collected from postoperative monitoring. In this paper, we develop a dynamic postoperative complication risk scoring framework (DyCRS) to detect the “at-risk” patients in a real-time way based on postoperative sequential vital signs and static features. DyCRS is based on adaptations of the Hidden Markov Model (HMM) that captures hidden states as well as observable states to generate a real-time, probabilistic, complication risk score. Evaluating our model using electronic health record (EHR) on elective Colectomy surgery from a major health system, we show that DyCRS significantly outperforms the state-of-the-art ACS calculator and real-time predictors with 50.16% area under precision-recall curve (AUCPRC) gain on average in terms of detection effectiveness. In terms of earliness, our DyCRS can predict 15hrs55mins earlier on average than clinician’s diagnosis with the recall of 60% and precision of 55%. Furthermore, Our DyCRS can extract interpretable patients’ stages, which are consistent with previous medical postoperative complication studies. We believe that our contributions demonstrate significant promise for developing a more accurate, robust and interpretable postoperative complication risk scoring system, which can benefit more than 50 million annual surgeries in the US by substantially lowering adverse events and healthcare costs.

Due to the ability of deep neural nets to learn rich representations, recent advances in unsupervised domain adaptation have focused on learning domain-invariant features that achieve a small error on the source domain. The hope is that the learnt representation, together with the hypothesis learnt from the source domain, can generalize to the target domain. In this paper, we first construct a simple counterexample showing that, contrary to common belief, the above conditions are not sufficient to guarantee successful domain adaptation. In particular, the counterexample exhibits conditional shift: the class-conditional distributions of input features change between source and target domains. To give a sufficient condition for domain adaptation, we propose a natural and interpretable generalization upper bound that explicitly takes into account the aforementioned shift. Moreover, we shed new light on the problem by proving an information-theoretic lower bound on the joint error of any domain adaptation method that attempts to learn invariant representations. Our result characterizes a fundamental tradeoff between learning invariant representations and achieving small joint error on both domains when the marginal label distributions differ from source to target. Finally, we conduct experiments on real-world datasets that corroborate our theoretical findings. We believe these insights are helpful in guiding the future design of domain adaptation and representation learning algorithms.

We consider peer review under a conference setting where there are conflicts between the reviewers and the submissions. Under such conflicts, reviewers can manipulate their reviews in a strategic manner to influence the final rankings of their own papers. Present-day peer-review systems are not designed to guard against such strategic behavior, beyond minimal (and insufficient) checks such as not assigning a paper to a conflicted reviewer. In this work, we address this problem through the lens of social choice, and present a theoretical framework for strategyproof and efficient peer review. Given the conflict graph which satisfies a simple property, we first present and analyze a flexible framework for reviewer-assignment and aggregation for the reviews that guarantees not only strategyproofness but also a natural efficiency property (unanimity). Our framework is based on the so-called partitioning method, and can be treated as a generalization of this type of method to conference peer review settings. We then empirically show that the requisite property on the (authorship) conflict graph is indeed satisfied in the ICLR-17 submissions data, and further demonstrate a simple trick to make the partitioning method more practically appealing under conference peer-review settings. Finally, we complement our positive results with negative theoretical results where we prove that under slightly stronger requirements, it is impossible for any algorithm to be both strategyproof and efficient.

Feed-forward neural networks can be understood as a combination of an intermediate representation and a linear hypothesis. While most previous works aim to diversify the representations, we explore the complementary direction by performing an adaptive and data-dependent regularization motivated by the empirical Bayes method. Specifically, we propose to construct a matrix-variate normal prior (on weights) whose covariance matrix has a Kronecker product structure. This structure is designed to capture the correlations in neurons through backpropagation. Under the assumption of this Kronecker factorization, the prior encourages neurons to borrow statistical strength from one another. Hence, it leads to an adaptive and data-dependent regularization when training networks on small datasets. To optimize the model, we present an efficient block coordinate descent algorithm with analytical solutions. Empirically, we demonstrate that the proposed method helps networks converge to local optima with smaller stable ranks and spectral norms. These properties suggest better generalizations and we present empirical results to support this expectation. We also verify the effectiveness of the approach on multiclass classification and multitask regression problems with various network structures. Our code is publicly available at:~\url{https://github.com/yaohungt/Adaptive-Regularization-Neural-Network}.

With the prevalence of machine learning in high-stakes applications, especially the ones regulated by anti-discrimination laws or societal norms, it is crucial to ensure that the predictive models do not propagate any existing bias or discrimination. Due to the ability of deep neural nets to learn rich representations, recent advances in algorithmic fairness have focused on learning fair representations with adversarial techniques to reduce bias in data while preserving utility simultaneously. In this paper, through the lens of information theory, we provide the first result that quantitatively characterizes the tradeoff between demographic parity and the joint utility across different population groups. Specifically, when the base rates differ between groups, we show that any method aiming to learn fair representations admits an information-theoretic lower bound on the joint error across these groups. To complement our negative results, we also prove that if the optimal decision functions across different groups are close, then learning fair representations leads to an alternative notion of fairness, known as the accuracy parity, which states that the error rates are close between groups. Finally, our theoretical findings are also confirmed empirically on real-world datasets.

We propose an end-to-end model based on convolutional and recurrent neural networks for speech enhancement. Our model is purely data-driven and does not make any assumptions about the type or the stationarity of the noise. In contrast to existing methods that use multilayer perceptrons (MLPs), we employ both convolutional and recurrent neural network architectures. Thus, our approach allows us to exploit local structures in both the frequency and temporal domains. By incorporating prior knowledge of speech signals into the design of model structures, we build a model that is more data-efficient and achieves better generalization on both seen and unseen noise. Based on experiments with synthetic data, we demonstrate that our model outperforms existing methods, improving PESQ by up to 0.6 on seen noise and 0.64 on unseen noise.

While domain adaptation has been actively researched, most algorithms focus on the single-source-single-target adaptation setting. In this paper we propose new generalization bounds and algorithms under both classification and regression settings for unsupervised multiple source domain adaptation. Our theoretical analysis naturally leads to an efficient learning strategy using adversarial neural networks: we show how to interpret it as learning feature representations that are invariant to the multiple domain shifts while still being discriminative for the learning task. To this end, we propose multisource domain adversarial networks (MDAN) that approach domain adaptation by optimizing task-adaptive generalization bounds. To demonstrate the effectiveness of MDAN, we conduct extensive experiments showing superior adaptation performance on both classification and regression problems: sentiment analysis, digit classification, and vehicle counting.

Domain adaptation addresses learning tasks where training is performed on data from one domain whereas testing is performed on data belonging to a different but related domain. Assumptions about the relationship between the source and target domains should lead to tractable solutions on the one hand, and be realistic on the other hand. Here we propose a generative domain adaptation model that allows for modelling different assumptions about this relationship, among which is a newly introduced assumption that replaces covariate shift with a possibly more realistic assumption without losing tractability due to the efficient variational inference procedure developed. In addition to the ability to model less restrictive relationships between source and target, modelling can be performed without any target labeled data (unsupervised domain adaptation). We also provide a Rademacher complexity bound of the proposed algorithm. We evaluate the model on the Amazon reviews and the CVC pedestrian detection datasets.

Bayesian online algorithms for Sum-Product Networks (SPNs) need to update their posterior distribution after seeing one single additional instance. To do so, they must compute moments of the model parameters under this distribution. The best existing method for computing such moments scales quadratically in the size of the SPN, although it scales linearly for trees. This unfortunate scaling makes Bayesian online algorithms prohibitively expensive, except for small or tree-structured SPNs. We propose an optimal linear-time algorithm that works even when the SPN is a general directed acyclic graph (DAG), which significantly broadens the applicability of Bayesian online algorithms for SPNs. There are three key ingredients in the design and analysis of our algorithm: 1). For each edge in the graph, we construct a linear time reduction from the moment computation problem to a joint inference problem in SPNs. 2). Using the property that each SPN computes a multilinear polynomial, we give an efficient procedure for polynomial evaluation by differentiation without expanding the network that may contain exponentially many monomials. 3). We propose a dynamic programming method to further reduce the computation of the moments of all the edges in the graph from quadratic to linear. We demonstrate the usefulness of our linear time algorithm by applying it to develop a linear time assume density filter (ADF) for SPNs.

Probabilistic graphical models provide a general and flexible framework for reasoning about complex dependencies in noisy domains with many variables. Among the various types of probabilistic graphical models, sum-product networks (SPNs) have recently generated some interest because exact inference can always be done in linear time with respect to the size of the network. This is particularly attractive since it means that learning an SPN from data always yields a tractable model for inference. However, existing parameter learning algorithms for SPNs operate in batch mode and do not scale easily to large datasets. In this work, we explore online algorithms to ensure that parameter learning can also be done tractably with respect to the amount of data. More specifically, we propose a new Bayesian moment matching (BMM) algorithm that operates naturally in an online fashion and that can be easily distributed. We demonstrate the effectiveness and scalability of BMM in comparison to online extensions of gradient descent, exponentiated gradient and expectation maximization on 20 classic benchmarks and 4 large scale datasets.

Sum-Product Networks (SPNs) are probabilistic inference machines that admit exact inference in linear time in the size of the network. Existing parameter learning approaches for SPNs are largely based on the maximum likelihood principle and are subject to overfitting compared to more Bayesian approaches. Exact Bayesian posterior inference for SPNs is computationally intractable. Even approximation techniques such as standard variational inference and posterior sampling for SPNs are computationally infeasible even for networks of moderate size due to the large number of local latent variables per instance. In this work, we propose a novel deterministic collapsed variational inference algorithm for SPNs that is computationally efficient, easy to implement and at the same time allows us to incorporate prior information into the optimization formulation. Extensive experiments show a significant improvement in accuracy compared with a maximum likelihood based approach.

We present a unified approach for learning the parameters of Sum-Product networks (SPNs). We prove that any complete and decomposable SPN is equivalent to a mixture of trees where each tree corresponds to a product of univariate distributions. Based on the mixture model perspective, we characterize the objective function when learning SPNs based on the maximum likelihood estimation (MLE) principle and show that the optimization problem can be formulated as a signomial program. We construct two parameter learning algorithms for SPNs by using sequential monomial approximations (SMA) and the concave-convex procedure (CCCP), respectively. The two proposed methods naturally admit multiplicative updates, hence effectively avoiding the projection operation. With the help of the unified framework, we also show that, in the case of SPNs, CCCP leads to the same algorithm as Expectation Maximization (EM) despite the fact that they are different in general.

We propose SoF (Soft-cluster matrix Factorization), a probabilistic clustering algorithm which softly assigns each data point into clusters. Unlike model-based clustering algorithms, SoF does not make assumptions about the data density distribution. Instead, we take an axiomatic approach to define 4 properties that the probability of co-clustered pairs of points should satisfy. Based on the properties, SoF utilizes a distance measure between pairs of points to induce the conditional co-cluster probabilities. The objective function in our framework establishes an important connection between probabilistic clustering and constrained symmetric Nonnegative Matrix Factorization (NMF), hence providing a theoretical interpretation for NMF-based clustering algorithms. To optimize the objective, we derive a sequential minimization algorithm using a penalty method. Experimental results on both synthetic and real-world datasets show that SoF significantly outperforms previous NMF-based algorithms and that it is able to detect non-convex patterns as well as cluster boundaries.

In this paper, we establish some theoretical connections between Sum-Product Networks (SPNs) and Bayesian Networks (BNs). We prove that every SPN can be converted into a BN in linear time and space in terms of the network size. The key insight is to use Algebraic Decision Diagrams (ADDs) to compactly represent the local conditional probability distributions at each node in the resulting BN by exploiting context-specific independence (CSI). The generated BN has a simple directed bipartite graphical structure. We show that by applying the Variable Elimination algorithm (VE) to the generated BN with ADD representations, we can recover the original SPN where the SPN can be viewed as a history record or caching of the VE inference process. To help state the proof clearly, we introduce the notion of \em normal SPN and present a theoretical analysis of the consistency and decomposability properties. We conclude the paper with some discussion of the implications of the proof and establish a connection between the depth of an SPN and a lower bound of the tree-width of its corresponding BN.

Analogous to sequence alignment, network alignment (NA) can be used to transfer biological knowledge across species between conserved network regions. NA faces two algorithmic challenges: 1) Which cost function to use to capture "similarities" between nodes in different networks? 2) Which alignment strategy to use to rapidly identify "high-scoring" alignments from all possible alignments? We "break down" existing state-of-the-art methods that use both different cost functions and different alignment strategies to evaluate each combination of their cost functions and alignment strategies. We find that a combination of the cost function of one method and the alignment strategy of another method beats the existing methods. Hence, we propose this combination as a novel superior NA method. Then, since human aging is hard to study experimentally due to long lifespan, we use NA to transfer aging-related knowledge from well annotated model species to poorly annotated human. By doing so, we produce novel human aging-related knowledge, which complements currently available knowledge about aging that has been obtained mainly by sequence alignment. We demonstrate significant similarity between topological and functional properties of our novel predictions and those of known aging-related genes. We are the first to use NA to learn more about aging.