arXiv subjects

Mihaela van der Schaar

Publications and source records attributed to Mihaela van der Schaar.

At least 217 records · Page 12Linked to original sources

arXiv2021

SDF-Bayes: Cautious Optimism in Safe Dose-Finding Clinical Trials with Drug Combinations and Heterogeneous Patient Groups

Phase I clinical trials are designed to test the safety (non-toxicity) of drugs and find the maximum tolerated dose (MTD). This task becomes significantly more challenging when multiple-drug dose-combinations (DC) are involved, due to the inherent conflict between the exponentially increasing DC candidates and the limited patient budget. This paper proposes a novel Bayesian design, SDF-Bayes, for finding the MTD for drug combinations in the presence of safety constraints. Rather than the conventional principle of escalating or de-escalating the current dose of one drug (perhaps alternating between drugs), SDF-Bayes proceeds by cautious optimism: it chooses the next DC that, on the basis of current information, is most likely to be the MTD (optimism), subject to the constraint that it only chooses DCs that have a high probability of being safe (caution). We also propose an extension, SDF-Bayes-AR, that accounts for patient heterogeneity and enables heterogeneous patient recruitment. Extensive experiments based on both synthetic and real-world datasets demonstrate the advantages of SDF-Bayes over state of the art DC trial designs in terms of accuracy and safety.

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arXiv2021

Personalized Education in the AI Era: What to Expect Next?

The objective of personalized learning is to design an effective knowledge acquisition track that matches the learner's strengths and bypasses her weaknesses to ultimately meet her desired goal. This concept emerged several years ago and is being adopted by a rapidly-growing number of educational institutions around the globe. In recent years, the boost of artificial intelligence (AI) and machine learning (ML), together with the advances in big data analysis, has unfolded novel perspectives to enhance personalized education in numerous dimensions. By taking advantage of AI/ML methods, the educational platform precisely acquires the student's characteristics. This is done, in part, by observing the past experiences as well as analyzing the available big data through exploring the learners' features and similarities. It can, for example, recommend the most appropriate content among numerous accessible ones, advise a well-designed long-term curriculum, connect appropriate learners by suggestion, accurate performance evaluation, and the like. Still, several aspects of AI-based personalized education remain unexplored. These include, among others, compensating for the adverse effects of the absence of peers, creating and maintaining motivations for learning, increasing diversity, removing the biases induced by the data and algorithms, and the like. In this paper, while providing a brief review of state-of-the-art research, we investigate the challenges of AI/ML-based personalized education and discuss potential solutions.

cs.CY↗

arXiv2021

Strictly Batch Imitation Learning by Energy-based Distribution Matching

Consider learning a policy purely on the basis of demonstrated behavior -- that is, with no access to reinforcement signals, no knowledge of transition dynamics, and no further interaction with the environment. This *strictly batch imitation learning* problem arises wherever live experimentation is costly, such as in healthcare. One solution is simply to retrofit existing algorithms for apprenticeship learning to work in the offline setting. But such an approach leans heavily on off-policy evaluation or offline model estimation, and can be indirect and inefficient. We argue that a good solution should be able to explicitly parameterize a policy (i.e. respecting action conditionals), implicitly learn from rollout dynamics (i.e. leveraging state marginals), and -- crucially -- operate in an entirely offline fashion. To address this challenge, we propose a novel technique by *energy-based distribution matching* (EDM): By identifying parameterizations of the (discriminative) model of a policy with the (generative) energy function for state distributions, EDM yields a simple but effective solution that equivalently minimizes a divergence between the occupancy measure for the demonstrator and a model thereof for the imitator. Through experiments with application to control and healthcare settings, we illustrate consistent performance gains over existing algorithms for strictly batch imitation learning.

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arXiv2020

Synthetic Data: Opening the data floodgates to enable faster, more directed development of machine learning methods

Many ground-breaking advancements in machine learning can be attributed to the availability of a large volume of rich data. Unfortunately, many large-scale datasets are highly sensitive, such as healthcare data, and are not widely available to the machine learning community. Generating synthetic data with privacy guarantees provides one such solution, allowing meaningful research to be carried out "at scale" - by allowing the entirety of the machine learning community to potentially accelerate progress within a given field. In this article, we provide a high-level view of synthetic data: what it means, how we might evaluate it and how we might use it.

cs.LG↗

arXiv2020

Estimating the Effects of Continuous-valued Interventions using Generative Adversarial Networks

While much attention has been given to the problem of estimating the effect of discrete interventions from observational data, relatively little work has been done in the setting of continuous-valued interventions, such as treatments associated with a dosage parameter. In this paper, we tackle this problem by building on a modification of the generative adversarial networks (GANs) framework. Our model, SCIGAN, is flexible and capable of simultaneously estimating counterfactual outcomes for several different continuous interventions. The key idea is to use a significantly modified GAN model to learn to generate counterfactual outcomes, which can then be used to learn an inference model, using standard supervised methods, capable of estimating these counterfactuals for a new sample. To address the challenges presented by shifting to continuous interventions, we propose a novel architecture for our discriminator - we build a hierarchical discriminator that leverages the structure of the continuous intervention setting. Moreover, we provide theoretical results to support our use of the GAN framework and of the hierarchical discriminator. In the experiments section, we introduce a new semi-synthetic data simulation for use in the continuous intervention setting and demonstrate improvements over the existing benchmark models.

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arXiv2020

Learning outside the Black-Box: The pursuit of interpretable models

Machine Learning has proved its ability to produce accurate models but the deployment of these models outside the machine learning community has been hindered by the difficulties of interpreting these models. This paper proposes an algorithm that produces a continuous global interpretation of any given continuous black-box function. Our algorithm employs a variation of projection pursuit in which the ridge functions are chosen to be Meijer G-functions, rather than the usual polynomial splines. Because Meijer G-functions are differentiable in their parameters, we can tune the parameters of the representation by gradient descent; as a consequence, our algorithm is efficient. Using five familiar data sets from the UCI repository and two familiar machine learning algorithms, we demonstrate that our algorithm produces global interpretations that are both highly accurate and parsimonious (involve a small number of terms). Our interpretations permit easy understanding of the relative importance of features and feature interactions. Our interpretation algorithm represents a leap forward from the previous state of the art.

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arXiv2020

Robust Recursive Partitioning for Heterogeneous Treatment Effects with Uncertainty Quantification

Subgroup analysis of treatment effects plays an important role in applications from medicine to public policy to recommender systems. It allows physicians (for example) to identify groups of patients for whom a given drug or treatment is likely to be effective and groups of patients for which it is not. Most of the current methods of subgroup analysis begin with a particular algorithm for estimating individualized treatment effects (ITE) and identify subgroups by maximizing the difference across subgroups of the average treatment effect in each subgroup. These approaches have several weaknesses: they rely on a particular algorithm for estimating ITE, they ignore (in)homogeneity within identified subgroups, and they do not produce good confidence estimates. This paper develops a new method for subgroup analysis, R2P, that addresses all these weaknesses. R2P uses an arbitrary, exogenously prescribed algorithm for estimating ITE and quantifies the uncertainty of the ITE estimation, using a construction that is more robust than other methods. Experiments using synthetic and semi-synthetic datasets (based on real data) demonstrate that R2P constructs partitions that are simultaneously more homogeneous within groups and more heterogeneous across groups than the partitions produced by other methods. Moreover, because R2P can employ any ITE estimator, it also produces much narrower confidence intervals with a prescribed coverage guarantee than other methods.

stat.ML↗

arXiv2020

CASTLE: Regularization via Auxiliary Causal Graph Discovery

Regularization improves generalization of supervised models to out-of-sample data. Prior works have shown that prediction in the causal direction (effect from cause) results in lower testing error than the anti-causal direction. However, existing regularization methods are agnostic of causality. We introduce Causal Structure Learning (CASTLE) regularization and propose to regularize a neural network by jointly learning the causal relationships between variables. CASTLE learns the causal directed acyclical graph (DAG) as an adjacency matrix embedded in the neural network's input layers, thereby facilitating the discovery of optimal predictors. Furthermore, CASTLE efficiently reconstructs only the features in the causal DAG that have a causal neighbor, whereas reconstruction-based regularizers suboptimally reconstruct all input features. We provide a theoretical generalization bound for our approach and conduct experiments on a plethora of synthetic and real publicly available datasets demonstrating that CASTLE consistently leads to better out-of-sample predictions as compared to other popular benchmark regularizers.

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arXiv2020

Time Series Deconfounder: Estimating Treatment Effects over Time in the Presence of Hidden Confounders

The estimation of treatment effects is a pervasive problem in medicine. Existing methods for estimating treatment effects from longitudinal observational data assume that there are no hidden confounders, an assumption that is not testable in practice and, if it does not hold, leads to biased estimates. In this paper, we develop the Time Series Deconfounder, a method that leverages the assignment of multiple treatments over time to enable the estimation of treatment effects in the presence of multi-cause hidden confounders. The Time Series Deconfounder uses a novel recurrent neural network architecture with multitask output to build a factor model over time and infer latent variables that render the assigned treatments conditionally independent; then, it performs causal inference using these latent variables that act as substitutes for the multi-cause unobserved confounders. We provide a theoretical analysis for obtaining unbiased causal effects of time-varying exposures using the Time Series Deconfounder. Using both simulated and real data we show the effectiveness of our method in deconfounding the estimation of treatment responses over time.

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arXiv2020

AutoCP: Automated Pipelines for Accurate Prediction Intervals

Successful application of machine learning models to real-world prediction problems, e.g. financial forecasting and personalized medicine, has proved to be challenging, because such settings require limiting and quantifying the uncertainty in the model predictions, i.e. providing valid and accurate prediction intervals. Conformal Prediction is a distribution-free approach to construct valid prediction intervals in finite samples. However, the prediction intervals constructed by Conformal Prediction are often (because of over-fitting, inappropriate measures of nonconformity, or other issues) overly conservative and hence inadequate for the application(s) at hand. This paper proposes an AutoML framework called Automatic Machine Learning for Conformal Prediction (AutoCP). Unlike the familiar AutoML frameworks that attempt to select the best prediction model, AutoCP constructs prediction intervals that achieve the user-specified target coverage rate while optimizing the interval length to be accurate and less conservative. We tested AutoCP on a variety of datasets and found that it significantly outperforms benchmark algorithms.

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arXiv2020

CPAS: the UK's National Machine Learning-based Hospital Capacity Planning System for COVID-19

The coronavirus disease 2019 (COVID-19) global pandemic poses the threat of overwhelming healthcare systems with unprecedented demands for intensive care resources. Managing these demands cannot be effectively conducted without a nationwide collective effort that relies on data to forecast hospital demands on the national, regional, hospital and individual levels. To this end, we developed the COVID-19 Capacity Planning and Analysis System (CPAS) - a machine learning-based system for hospital resource planning that we have successfully deployed at individual hospitals and across regions in the UK in coordination with NHS Digital. In this paper, we discuss the main challenges of deploying a machine learning-based decision support system at national scale, and explain how CPAS addresses these challenges by (1) defining the appropriate learning problem, (2) combining bottom-up and top-down analytical approaches, (3) using state-of-the-art machine learning algorithms, (4) integrating heterogeneous data sources, and (5) presenting the result with an interactive and transparent interface. CPAS is one of the first machine learning-based systems to be deployed in hospitals on a national scale to address the COVID-19 pandemic - we conclude the paper with a summary of the lessons learned from this experience.

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arXiv2020

Hide-and-Seek Privacy Challenge

The clinical time-series setting poses a unique combination of challenges to data modeling and sharing. Due to the high dimensionality of clinical time series, adequate de-identification to preserve privacy while retaining data utility is difficult to achieve using common de-identification techniques. An innovative approach to this problem is synthetic data generation. From a technical perspective, a good generative model for time-series data should preserve temporal dynamics, in the sense that new sequences respect the original relationships between high-dimensional variables across time. From the privacy perspective, the model should prevent patient re-identification by limiting vulnerability to membership inference attacks. The NeurIPS 2020 Hide-and-Seek Privacy Challenge is a novel two-tracked competition to simultaneously accelerate progress in tackling both problems. In our head-to-head format, participants in the synthetic data generation track (i.e. "hiders") and the patient re-identification track (i.e. "seekers") are directly pitted against each other by way of a new, high-quality intensive care time-series dataset: the AmsterdamUMCdb dataset. Ultimately, we seek to advance generative techniques for dense and high-dimensional temporal data streams that are (1) clinically meaningful in terms of fidelity and predictivity, as well as (2) capable of minimizing membership privacy risks in terms of the concrete notion of patient re-identification.

cs.LG↗

arXiv2020

Discriminative Jackknife: Quantifying Uncertainty in Deep Learning via Higher-Order Influence Functions

Deep learning models achieve high predictive accuracy across a broad spectrum of tasks, but rigorously quantifying their predictive uncertainty remains challenging. Usable estimates of predictive uncertainty should (1) cover the true prediction targets with high probability, and (2) discriminate between high- and low-confidence prediction instances. Existing methods for uncertainty quantification are based predominantly on Bayesian neural networks; these may fall short of (1) and (2) -- i.e., Bayesian credible intervals do not guarantee frequentist coverage, and approximate posterior inference undermines discriminative accuracy. In this paper, we develop the discriminative jackknife (DJ), a frequentist procedure that utilizes influence functions of a model's loss functional to construct a jackknife (or leave-one-out) estimator of predictive confidence intervals. The DJ satisfies (1) and (2), is applicable to a wide range of deep learning models, is easy to implement, and can be applied in a post-hoc fashion without interfering with model training or compromising its accuracy. Experiments demonstrate that DJ performs competitively compared to existing Bayesian and non-Bayesian regression baselines.

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arXiv2020

Frequentist Uncertainty in Recurrent Neural Networks via Blockwise Influence Functions

Recurrent neural networks (RNNs) are instrumental in modelling sequential and time-series data. Yet, when using RNNs to inform decision-making, predictions by themselves are not sufficient; we also need estimates of predictive uncertainty. Existing approaches for uncertainty quantification in RNNs are based predominantly on Bayesian methods; these are computationally prohibitive, and require major alterations to the RNN architecture and training. Capitalizing on ideas from classical jackknife resampling, we develop a frequentist alternative that: (a) does not interfere with model training or compromise its accuracy, (b) applies to any RNN architecture, and (c) provides theoretical coverage guarantees on the estimated uncertainty intervals. Our method derives predictive uncertainty from the variability of the (jackknife) sampling distribution of the RNN outputs, which is estimated by repeatedly deleting blocks of (temporally-correlated) training data, and collecting the predictions of the RNN re-trained on the remaining data. To avoid exhaustive re-training, we utilize influence functions to estimate the effect of removing training data blocks on the learned RNN parameters. Using data from a critical care setting, we demonstrate the utility of uncertainty quantification in sequential decision-making.

cs.LG↗

arXiv2020

Unlabelled Data Improves Bayesian Uncertainty Calibration under Covariate Shift

Modern neural networks have proven to be powerful function approximators, providing state-of-the-art performance in a multitude of applications. They however fall short in their ability to quantify confidence in their predictions - this is crucial in high-stakes applications that involve critical decision-making. Bayesian neural networks (BNNs) aim at solving this problem by placing a prior distribution over the network's parameters, thereby inducing a posterior distribution that encapsulates predictive uncertainty. While existing variants of BNNs based on Monte Carlo dropout produce reliable (albeit approximate) uncertainty estimates over in-distribution data, they tend to exhibit over-confidence in predictions made on target data whose feature distribution differs from the training data, i.e., the covariate shift setup. In this paper, we develop an approximate Bayesian inference scheme based on posterior regularisation, wherein unlabelled target data are used as "pseudo-labels" of model confidence that are used to regularise the model's loss on labelled source data. We show that this approach significantly improves the accuracy of uncertainty quantification on covariate-shifted data sets, with minimal modification to the underlying model architecture. We demonstrate the utility of our method in the context of transferring prognostic models of prostate cancer across globally diverse populations.

stat.ML↗

arXiv2020

Inverse Active Sensing: Modeling and Understanding Timely Decision-Making

Evidence-based decision-making entails collecting (costly) observations about an underlying phenomenon of interest, and subsequently committing to an (informed) decision on the basis of accumulated evidence. In this setting, active sensing is the goal-oriented problem of efficiently selecting which acquisitions to make, and when and what decision to settle on. As its complement, inverse active sensing seeks to uncover an agent's preferences and strategy given their observable decision-making behavior. In this paper, we develop an expressive, unified framework for the general setting of evidence-based decision-making under endogenous, context-dependent time pressure---which requires negotiating (subjective) tradeoffs between accuracy, speediness, and cost of information. Using this language, we demonstrate how it enables modeling intuitive notions of surprise, suspense, and optimality in decision strategies (the forward problem). Finally, we illustrate how this formulation enables understanding decision-making behavior by quantifying preferences implicit in observed decision strategies (the inverse problem).

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arXiv2020

Learning for Dose Allocation in Adaptive Clinical Trials with Safety Constraints

Phase I dose-finding trials are increasingly challenging as the relationship between efficacy and toxicity of new compounds (or combination of them) becomes more complex. Despite this, most commonly used methods in practice focus on identifying a Maximum Tolerated Dose (MTD) by learning only from toxicity events. We present a novel adaptive clinical trial methodology, called Safe Efficacy Exploration Dose Allocation (SEEDA), that aims at maximizing the cumulative efficacies while satisfying the toxicity safety constraint with high probability. We evaluate performance objectives that have operational meanings in practical clinical trials, including cumulative efficacy, recommendation/allocation success probabilities, toxicity violation probability, and sample efficiency. An extended SEEDA-Plateau algorithm that is tailored for the increase-then-plateau efficacy behavior of molecularly targeted agents (MTA) is also presented. Through numerical experiments using both synthetic and real-world datasets, we show that SEEDA outperforms state-of-the-art clinical trial designs by finding the optimal dose with higher success rate and fewer patients.

cs.LG↗

arXiv2020

Temporal Phenotyping using Deep Predictive Clustering of Disease Progression

Due to the wider availability of modern electronic health records, patient care data is often being stored in the form of time-series. Clustering such time-series data is crucial for patient phenotyping, anticipating patients' prognoses by identifying "similar" patients, and designing treatment guidelines that are tailored to homogeneous patient subgroups. In this paper, we develop a deep learning approach for clustering time-series data, where each cluster comprises patients who share similar future outcomes of interest (e.g., adverse events, the onset of comorbidities). To encourage each cluster to have homogeneous future outcomes, the clustering is carried out by learning discrete representations that best describe the future outcome distribution based on novel loss functions. Experiments on two real-world datasets show that our model achieves superior clustering performance over state-of-the-art benchmarks and identifies meaningful clusters that can be translated into actionable information for clinical decision-making.

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