Proceedings of machine learning research最新文献

Use of machine learning to perform database operations, such as indexing, cardinality estimation, and sorting, is shown to provide substantial performance benefits. However, when datasets change and data distribution shifts, empirical results also show performance degradation for learned models, possibly to worse than non-learned alternatives. This, together with a lack of theoretical understanding of learned methods undermines their practical applicability, since there are no guarantees on how well the models will perform after deployment. In this paper, we present the first known theoretical characterization of the performance of learned models in dynamic datasets, for the aforementioned operations. Our results show novel theoretical characteristics achievable by learned models and provide bounds on the performance of the models that characterize their advantages over non-learned methods, showing why and when learned models can outperform the alternatives. Our analysis develops the distribution learnability framework and novel theoretical tools which build the foundation for the analysis of learned database operations in the future.

Designing faithful yet accurate AI models is challenging, particularly in the field of individual treatment effect estimation (ITE). ITE prediction models deployed in critical settings such as healthcare should ideally be (i) accurate, and (ii) provide faithful explanations. However, current solutions are inadequate: state-of-the-art black-box models do not supply explanations, post-hoc explainers for black-box models lack faithfulness guarantees, and self-interpretable models greatly compromise accuracy. To address these issues, we propose DISCRET, a self-interpretable ITE framework that synthesizes faithful, rule-based explanations for each sample. A key insight behind DISCRET is that explanations can serve dually as database queries to identify similar subgroups of samples. We provide a novel RL algorithm to efficiently synthesize these explanations from a large search space. We evaluate DISCRET on diverse tasks involving tabular, image, and text data. DISCRET outperforms the best self-interpretable models and has accuracy comparable to the best black-box models while providing faithful explanations. DISCRET is available at https://github.com/wuyinjun-1993/DISCRET-ICML2024.

When estimating target parameters in nonparametric models with nuisance parameters, substituting the unknown nuisances with nonparametric estimators can introduce "plug-in bias." Traditional methods addressing this suboptimal bias-variance trade-off rely on the influence function (IF) of the target parameter. When estimating multiple target parameters, these methods require debiasing the nuisance parameter multiple times using the corresponding IFs, which poses analytical and computational challenges. In this work, we leverage the targeted maximum likelihood estimation (TMLE) framework to propose a novel method named kernel debiased plug-in estimation (KDPE). KDPE refines an initial estimate through regularized likelihood maximization steps, employing a nonparametric model based on reproducing kernel Hilbert spaces. We show that KDPE: (i) simultaneously debiases all pathwise differentiable target parameters that satisfy our regularity conditions, (ii) does not require the IF for implementation, and (iii) remains computationally tractable. We numerically illustrate the use of KDPE and validate our theoretical results.

Topological deep learning (TDL) is a rapidly evolving field that uses topological features to understand and design deep learning models. This paper posits that TDL is the new frontier for relational learning. TDL may complement graph representation learning and geometric deep learning by incorporating topological concepts, and can thus provide a natural choice for various machine learning settings. To this end, this paper discusses open problems in TDL, ranging from practical benefits to theoretical foundations. For each problem, it outlines potential solutions and future research opportunities. At the same time, this paper serves as an invitation to the scientific community to actively participate in TDL research to unlock the potential of this emerging field.

Many populations defined by illegal or stigmatized behavior are difficult to sample using conventional survey methodology. Respondent Driven Sampling (RDS) is a participant referral process frequently employed in this context to collect information. This sampling methodology can be modeled as a stochastic process that explores the graph of a social network, generating a partially observed subgraph between study participants. The methods currently used to impute the missing edges in this subgraph exhibit biased downstream estimation. We leverage auxiliary participant information and concepts from indirect inference to ameliorate these issues and improve estimation of the hidden population size. These advances result in smaller bias and higher precision in the estimation of the study participant arrival rate, the sample subgraph, and the population size. Lastly, we use our method to estimate the number of People Who Inject Drugs (PWID) in the Kohtla-Jarve region of Estonia.

Electronic Health Records (EHRs) contain rich patient information and are crucial for clinical research and practice. In recent years, deep learning models have been applied to EHRs, but they often rely on massive features, which may not be readily available for all patients. We propose HTP-Star, which leverages hypergraph structures with a pretrain-then-finetune framework for modeling EHR data, enabling seamless integration of additional features. Additionally, we design two techniques, namely (1) Smoothness-inducing Regularization and (2) Group-balanced Reweighting, to enhance the model's robustness during finetuning. Through experiments conducted on two real EHR datasets, we demonstrate that HTP-Star consistently outperforms various baselines while striking a balance between patients with basic and extra features.

Unstructured data in Electronic Health Records (EHRs) often contains critical information-complementary to imaging-that could inform radiologists' diagnoses. But the large volume of notes often associated with patients together with time constraints renders manually identifying relevant evidence practically infeasible. In this work we propose and evaluate a zero-shot strategy for using LLMs as a mechanism to efficiently retrieve and summarize unstructured evidence in patient EHR relevant to a given query. Our method entails tasking an LLM to infer whether a patient has, or is at risk of, a particular condition on the basis of associated notes; if so, we ask the model to summarize the supporting evidence. Under expert evaluation, we find that this LLM-based approach provides outputs consistently preferred to a pre-LLM information retrieval baseline. Manual evaluation is expensive, so we also propose and validate a method using an LLM to evaluate (other) LLM outputs for this task, allowing us to scale up evaluation. Our findings indicate the promise of LLMs as interfaces to EHR, but also highlight the outstanding challenge posed by "hallucinations". In this setting, however, we show that model confidence in outputs strongly correlates with faithful summaries, offering a practical means to limit confabulations.

Wearable sensors enable health researchers to continuously collect data pertaining to the physiological state of individuals in real-world settings. However, such data can be subject to extensive missingness due to a complex combination of factors. In this work, we study the problem of imputation of missing step count data, one of the most ubiquitous forms of wearable sensor data. We construct a novel and large scale data set consisting of a training set with over 3 million hourly step count observations and a test set with over 2.5 million hourly step count observations. We propose a domain knowledge-informed sparse self-attention model for this task that captures the temporal multi-scale nature of step-count data. We assess the performance of the model relative to baselines and conduct ablation studies to verify our specific model designs.

Event-based models (EBM) provide an important platform for modeling disease progression. This work successfully extends previous EBM approaches to work with larger sets of biomarkers while simultaneously modeling heterogeneity in disease progression trajectories. We develop and validate the s-SuStain method for scalable event-based modeling of disease progression subtypes using large numbers of features. s-SuStaIn is typically an order of magnitude faster than its predecessor (SuStaIn). Moreover, we perform a case study with s-SuStaIn using open access cross-sectional Alzheimer's Disease Neuroimaging (ADNI) data to stage AD patients into four subtypes based on dynamic disease progression. s-SuStaIn shows that the inferred subtypes and stages predict progression to AD among MCI subjects. The subtypes show difference in AD incidence-rates and reveal clinically meaningful progression trajectories when mapped to a brain atlas.

Accurate uncertainty estimates are important in sequential model-based decision-making tasks such as Bayesian optimization. However, these estimates can be imperfect if the data violates assumptions made by the model (e.g., Gaussianity). This paper studies which uncertainties are needed in model-based decision-making and in Bayesian optimization, and argues that uncertainties can benefit from calibration-i.e., an 80% predictive interval should contain the true outcome 80% of the time. Maintaining calibration, however, can be challenging when the data is non-stationary and depends on our actions. We propose using simple algorithms based on online learning to provably maintain calibration on non-i.i.d. data, and we show how to integrate these algorithms in Bayesian optimization with minimal overhead. Empirically, we find that calibrated Bayesian optimization converges to better optima in fewer steps, and we demonstrate improved performance on standard benchmark functions and hyperparameter optimization tasks.