Towards Fast Graph Generation via Autoregressive Noisy Filtration Modeling

Graph generative models often face a critical trade-off between learning complex distributions and achieving fast generation speed. We introduce Autoregressive Noisy Filtration Modeling (ANFM), a novel approach that addresses both challenges. ANFM leverages filtration, a concept from topological data analysis, to transform graphs into short sequences of monotonically increasing subgraphs. This formulation extends the sequence families used in previous autoregressive models. To learn from these sequences, we propose a novel autoregressive graph mixer model. Our experiments suggest that exposure bias might represent a substantial hurdle in autoregressive graph generation and we introduce two mitigation strategies to address it: noise augmentation and a reinforcement learning approach. Incorporating these techniques leads to substantial performance gains, making ANFM competitive with state-of-the-art diffusion models across diverse synthetic and real-world datasets. Notably, ANFM produces remarkably short sequences, achieving a 100-fold speedup in generation time compared to diffusion models. This work marks a significant step toward high-throughput graph generation.

CANDOR: Counterfactual ANnotated DOubly Robust Off-Policy Evaluation

Off-policy evaluation (OPE) provides safety guarantees by estimating the performance of a policy before deployment. Recent work introduced IS+, an importance sampling (IS) estimator that uses expert-annotated counterfactual samples to improve behavior dataset coverage. However, IS estimators are known to have high variance; furthermore, the performance of IS+ deteriorates when annotations are imperfect. In this work, we propose a family of OPE estimators inspired by the doubly robust (DR) principle. A DR estimator combines IS with a reward model estimate, known as the direct method (DM), and offers favorable statistical guarantees. We propose three strategies for incorporating counterfactual annotations into a DR-inspired estimator and analyze their properties under various realistic settings. We prove that using imperfect annotations in the DM part of the estimator best leverages the annotations, as opposed to using them in the IS part. To support our theoretical findings, we evaluate the proposed estimators in three contextual bandit environments. Our empirical results show that when the reward model is misspecified and the annotations are imperfect, it is most beneficial to use the annotations only in the DM portion of a DR estimator. Based on these theoretical and empirical insights, we provide a practical guide for using counterfactual annotations in different realistic settings.

Who's Gaming the System? A Causally-Motivated Approach for Detecting Strategic Adaptation

In many settings, machine learning models may be used to inform decisions that impact individuals or entities who interact with the model. Such entities, or agents, may game model decisions by manipulating their inputs to the model to obtain better outcomes and maximize some utility. We consider a multi-agent setting where the goal is to identify the "worst offenders:" agents that are gaming most aggressively. However, identifying such agents is difficult without knowledge of their utility function. Thus, we introduce a framework in which each agent's tendency to game is parameterized via a scalar. We show that this gaming parameter is only partially identifiable. By recasting the problem as a causal effect estimation problem where different agents represent different "treatments," we prove that a ranking of all agents by their gaming parameters is identifiable. We present empirical results in a synthetic data study validating the usage of causal effect estimation for gaming detection and show in a case study of diagnosis coding behavior in the U.S. that our approach highlights features associated with gaming.

DEPICT: Diffusion-Enabled Permutation Importance for Image Classification Tasks

We propose a permutation-based explanation method for image classifiers. Current image-model explanations like activation maps are limited to instance-based explanations in the pixel space, making it difficult to understand global model behavior. In contrast, permutation based explanations for tabular data classifiers measure feature importance by comparing model performance on data before and after permuting a feature. We propose an explanation method for image-based models that permutes interpretable concepts across dataset images. Given a dataset of images labeled with specific concepts like captions, we permute a concept across examples in the text space and then generate images via a text-conditioned diffusion model. Feature importance is then reflected by the change in model performance relative to unpermuted data. When applied to a set of concepts, the method generates a ranking of feature importance. We show this approach recovers underlying model feature importance on synthetic and real-world image classification tasks.

From Biased Selective Labels to Pseudo-Labels: An Expectation-Maximization Framework for Learning from Biased Decisions

Selective labels occur when label observations are subject to a decision-making process; e.g., diagnoses that depend on the administration of laboratory tests. We study a clinically-inspired selective label problem called disparate censorship, where labeling biases vary across subgroups and unlabeled individuals are imputed as "negative" (i.e., no diagnostic test = no illness). Machine learning models naively trained on such labels could amplify labeling bias. Inspired by causal models of selective labels, we propose Disparate Censorship Expectation-Maximization (DCEM), an algorithm for learning in the presence of disparate censorship. We theoretically analyze how DCEM mitigates the effects of disparate censorship on model performance. We validate DCEM on synthetic data, showing that it improves bias mitigation (area between ROC curves) without sacrificing discriminative performance (AUC) compared to baselines. We achieve similar results in a sepsis classification task using clinical data.

Counterfactual-Augmented Importance Sampling for Semi-Offline Policy Evaluation

In applying reinforcement learning (RL) to high-stakes domains, quantitative and qualitative evaluation using observational data can help practitioners understand the generalization performance of new policies. However, this type of off-policy evaluation (OPE) is inherently limited since offline data may not reflect the distribution shifts resulting from the application of new policies. On the other hand, online evaluation by collecting rollouts according to the new policy is often infeasible, as deploying new policies in these domains can be unsafe. In this work, we propose a semi-offline evaluation framework as an intermediate step between offline and online evaluation, where human users provide annotations of unobserved counterfactual trajectories. While tempting to simply augment existing data with such annotations, we show that this naive approach can lead to biased results. Instead, we design a new family of OPE estimators based on importance sampling (IS) and a novel weighting scheme that incorporate counterfactual annotations without introducing additional bias. We analyze the theoretical properties of our approach, showing its potential to reduce both bias and variance compared to standard IS estimators. Our analyses reveal important practical considerations for handling biased, noisy, or missing annotations. In a series of proof-of-concept experiments involving bandits and a healthcare-inspired simulator, we demonstrate that our approach outperforms purely offline IS estimators and is robust to imperfect annotations. Our framework, combined with principled human-centered design of annotation solicitation, can enable the application of RL in high-stakes domains.

Updating Clinical Risk Stratification Models Using Rank-Based Compatibility: Approaches for Evaluating and Optimizing Clinician-Model Team Performance

As data shift or new data become available, updating clinical machine learning models may be necessary to maintain or improve performance over time. However, updating a model can introduce compatibility issues when the behavior of the updated model does not align with user expectations, resulting in poor user-model team performance. Existing compatibility measures depend on model decision thresholds, limiting their applicability in settings where models are used to generate rankings based on estimated risk. To address this limitation, we propose a novel rank-based compatibility measure, $C^R$, and a new loss function that aims to optimize discriminative performance while encouraging good compatibility. Applied to a case study in mortality risk stratification leveraging data from MIMIC, our approach yields more compatible models while maintaining discriminative performance compared to existing model selection techniques, with an increase in $C^R$ of $0.019$ ($95\%$ confidence interval: $0.005$, $0.035$). This work provides new tools to analyze and update risk stratification models used in clinical care.

Leveraging Factored Action Spaces for Off-Policy Evaluation

Off-policy evaluation (OPE) aims to estimate the benefit of following a counterfactual sequence of actions, given data collected from executed sequences. However, existing OPE estimators often exhibit high bias and high variance in problems involving large, combinatorial action spaces. We investigate how to mitigate this issue using factored action spaces i.e. expressing each action as a combination of independent sub-actions from smaller action spaces. This approach facilitates a finer-grained analysis of how actions differ in their effects. In this work, we propose a new family of "decomposed" importance sampling (IS) estimators based on factored action spaces. Given certain assumptions on the underlying problem structure, we prove that the decomposed IS estimators have less variance than their original non-decomposed versions, while preserving the property of zero bias. Through simulations, we empirically verify our theoretical results, probing the validity of various assumptions. Provided with a technique that can derive the action space factorisation for a given problem, our work shows that OPE can be improved "for free" by utilising this inherent problem structure.

Leveraging an Alignment Set in Tackling Instance-Dependent Label Noise

Noisy training labels can hurt model performance. Most approaches that aim to address label noise assume label noise is independent from the input features. In practice, however, label noise is often feature or \textit{instance-dependent}, and therefore biased (i.e., some instances are more likely to be mislabeled than others). E.g., in clinical care, female patients are more likely to be under-diagnosed for cardiovascular disease compared to male patients. Approaches that ignore this dependence can produce models with poor discriminative performance, and in many healthcare settings, can exacerbate issues around health disparities. In light of these limitations, we propose a two-stage approach to learn in the presence instance-dependent label noise. Our approach utilizes \textit{\anchor points}, a small subset of data for which we know the observed and ground truth labels. On several tasks, our approach leads to consistent improvements over the state-of-the-art in discriminative performance (AUROC) while mitigating bias (area under the equalized odds curve, AUEOC). For example, when predicting acute respiratory failure onset on the MIMIC-III dataset, our approach achieves a harmonic mean (AUROC and AUEOC) of 0.84 (SD [standard deviation] 0.01) while that of the next best baseline is 0.81 (SD 0.01). Overall, our approach improves accuracy while mitigating potential bias compared to existing approaches in the presence of instance-dependent label noise.

Leveraging Factored Action Spaces for Efficient Offline Reinforcement Learning in Healthcare

Many reinforcement learning (RL) applications have combinatorial action spaces, where each action is a composition of sub-actions. A standard RL approach ignores this inherent factorization structure, resulting in a potential failure to make meaningful inferences about rarely observed sub-action combinations; this is particularly problematic for offline settings, where data may be limited. In this work, we propose a form of linear Q-function decomposition induced by factored action spaces. We study the theoretical properties of our approach, identifying scenarios where it is guaranteed to lead to zero bias when used to approximate the Q-function. Outside the regimes with theoretical guarantees, we show that our approach can still be useful because it leads to better sample efficiency without necessarily sacrificing policy optimality, allowing us to achieve a better bias-variance trade-off. Across several offline RL problems using simulators and real-world datasets motivated by healthcare, we demonstrate that incorporating factored action spaces into value-based RL can result in better-performing policies. Our approach can help an agent make more accurate inferences within underexplored regions of the state-action space when applying RL to observational datasets.