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On the infinite-depth limit of finite-width neural networksworkpreprint / 2023 / arXiv Microscopic Advances with Large-Scale Learning: Stochastic Optimization for Cryo-EMworkpreprint / 2015 / arXiv A Novel Semi-Supervised Data-Driven Method for Chiller Fault Diagnosis with Unlabeled Dataworkpreprint / 2020 / arXiv Machine Learningtopic49008 works

preprint2023arXiv

On the infinite-depth limit of finite-width neural networks

In this paper, we study the infinite-depth limit of finite-width residual neural networks with random Gaussian weights. With proper scaling, we show that by fixing the width and taking the depth to infinity, the pre-activations converge in distribution to a zero-drift diffusion process. Unlike the infinite-width limit where the pre-activation converge weakly to a Gaussian random variable, we show that the infinite-depth limit yields different distributions depending on the choice of the activation function. We document two cases where these distributions have closed-form (different) expressions. We further show an intriguing change of regime phenomenon of the post-activation norms when the width increases from 3 to 4. Lastly, we study the sequential limit infinite-depth-then-infinite-width and compare it with the more commonly studied infinite-width-then-infinite-depth limit.

preprint2015arXiv

Microscopic Advances with Large-Scale Learning: Stochastic Optimization for Cryo-EM

Determining the 3D structures of biological molecules is a key problem for both biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising technique for structure estimation which relies heavily on computational methods to reconstruct 3D structures from 2D images. This paper introduces the challenging Cryo-EM density estimation problem as a novel application for stochastic optimization techniques. Structure discovery is formulated as MAP estimation in a probabilistic latent-variable model, resulting in an optimization problem to which an array of seven stochastic optimization methods are applied. The methods are tested on both real and synthetic data, with some methods recovering reasonable structures in less than one epoch from a random initialization. Complex quasi-Newton methods are found to converge more slowly than simple gradient-based methods, but all stochastic methods are found to converge to similar optima. This method represents a major improvement over existing methods as it is significantly faster and is able to converge from a random initialization.

preprint2020arXiv

A Novel Semi-Supervised Data-Driven Method for Chiller Fault Diagnosis with Unlabeled Data

In practical chiller systems, applying efficient fault diagnosis techniques can significantly reduce energy consumption and improve energy efficiency of buildings. The success of the existing methods for fault diagnosis of chillers relies on the condition that sufficient labeled data are available for training. However, label acquisition is laborious and costly in practice. Usually, the number of labeled data is limited and most data available are unlabeled. The existing methods cannot exploit the information contained in unlabeled data, which significantly limits the improvement of fault diagnosis performance in chiller systems. To make effective use of unlabeled data to further improve fault diagnosis performance and reduce the dependency on labeled data, we proposed a novel semi-supervised data-driven fault diagnosis method for chiller systems based on the semi-generative adversarial network, which incorporates both unlabeled and labeled data into learning process. The semi-generative adversarial network can learn the information of data distribution from unlabeled data and this information can help to significantly improve the diagnostic performance. Experimental results demonstrate the effectiveness of the proposed method. Under the scenario that there are only 80 labeled samples and 16000 unlabeled samples, the proposed method can improve the diagnostic accuracy to 84%, while the supervised baseline methods only reach the accuracy of 65% at most. Besides, the minimal required number of labeled samples can be reduced by about 60% with the proposed method when there are enough unlabeled samples.

preprint2016arXiv

On the Complexity of Best Arm Identification in Multi-Armed Bandit Models

The stochastic multi-armed bandit model is a simple abstraction that has proven useful in many different contexts in statistics and machine learning. Whereas the achievable limit in terms of regret minimization is now well known, our aim is to contribute to a better understanding of the performance in terms of identifying the m best arms. We introduce generic notions of complexity for the two dominant frameworks considered in the literature: fixed-budget and fixed-confidence settings. In the fixed-confidence setting, we provide the first known distribution-dependent lower bound on the complexity that involves information-theoretic quantities and holds when m is larger than 1 under general assumptions. In the specific case of two armed-bandits, we derive refined lower bounds in both the fixed-confidence and fixed-budget settings, along with matching algorithms for Gaussian and Bernoulli bandit models. These results show in particular that the complexity of the fixed-budget setting may be smaller than the complexity of the fixed-confidence setting, contradicting the familiar behavior observed when testing fully specified alternatives. In addition, we also provide improved sequential

preprint2020arXiv

ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep Learning

In drug discovery, knowledge of the graph structure of chemical compounds is essential. Many thousands of scientific articles in chemistry and pharmaceutical sciences have investigated chemical compounds, but in cases the details of the structure of these chemical compounds is published only as an images. A tool to analyze these images automatically and convert them into a chemical graph structure would be useful for many applications, such drug discovery. A few such tools are available and they are mostly derived from optical character recognition. However, our evaluation of the performance of those tools reveals that they make often mistakes in detecting the correct bond multiplicity and stereochemical information. In addition, errors sometimes even lead to missing atoms in the resulting graph. In our work, we address these issues by developing a compound recognition method based on machine learning. More specifically, we develop a deep neural network model for optical compound recognition. The deep learning solution presented here consists of a segmentation model, followed by three classification models that predict atom locations, bonds and charges. Furthermore, this model not

preprint2014arXiv

Agent Behavior Prediction and Its Generalization Analysis

Machine learning algorithms have been applied to predict agent behaviors in real-world dynamic systems, such as advertiser behaviors in sponsored search and worker behaviors in crowdsourcing. The behavior data in these systems are generated by live agents: once the systems change due to the adoption of the prediction models learnt from the behavior data, agents will observe and respond to these changes by changing their own behaviors accordingly. As a result, the behavior data will evolve and will not be identically and independently distributed, posing great challenges to the theoretical analysis on the machine learning algorithms for behavior prediction. To tackle this challenge, in this paper, we propose to use Markov Chain in Random Environments (MCRE) to describe the behavior data, and perform generalization analysis of the machine learning algorithms on its basis. Since the one-step transition probability matrix of MCRE depends on both previous states and the random environment, conventional techniques for generalization analysis cannot be directly applied. To address this issue, we propose a novel technique that transforms the original MCRE into a higher-dimensional time-hom

preprint2026arXiv

Counterfactual Fairness with Graph Uncertainty

Evaluating machine learning (ML) model bias is key to building trustworthy and robust ML systems. Counterfactual Fairness (CF) audits allow the measurement of bias of ML models with a causal framework, yet their conclusions rely on a single causal graph that is rarely known with certainty in real-world scenarios. We propose CF with Graph Uncertainty (CF-GU), a bias evaluation procedure that incorporates the uncertainty of specifying a causal graph into CF. CF-GU (i) bootstraps a Causal Discovery algorithm under domain knowledge constraints to produce a bag of plausible Directed Acyclic Graphs (DAGs), (ii) quantifies graph uncertainty with the normalized Shannon entropy, and (iii) provides confidence bounds on CF metrics. Experiments on synthetic data show how contrasting domain knowledge assumptions support or refute audits of CF, while experiments on real-world data (COMPAS and Adult datasets) pinpoint well-known biases with high confidence, even when supplied with minimal domain knowledge constraints.

preprint2021arXiv

On Single-User Interactive Beam Alignment in Next Generation Systems: A Deep Learning Viewpoint

Communication in high frequencies such as millimeter wave and terahertz suffer from high path-loss and intense shadowing which necessitates beamforming for reliable data transmission. On the other hand, at high frequencies the channels are sparse and consist of few spatial clusters. Therefore, beam alignment (BA) strategies are used to find the direction of these channel clusters and adjust the width of the beam used for data transmission. In this work, a single-user uplink scenario where the channel has one dominant cluster is considered. It is assumed that the user transmits a set of BA packets over a fixed duration. Meanwhile, the base-station (BS) uses different probing beams to scan different angular regions. Since the BS measurements are noisy, it is not possible to find a narrow beam that includes the angle of arrival (AoA) of the user with probability one. Therefore, the BS allocates a narrow beam to the user which includes the AoA of the user with a predetermined error probability while minimizing the expected beamwidth of the allocated beam. Due to intractability of this noisy BA problem, here this problem is posed as an end-to-end optimization of a deep neural network (DNN) and effects of different loss functions are discussed and investigated. It is observed that the proposed DNN based BA, at high SNRs, achieves a performance close to that of the optimal BA when there is no-noise and for all SNRs, outperforms state-of-the-art.

preprint2022arXiv

Evaluation Metrics for Graph Generative Models: Problems, Pitfalls, and Practical Solutions

Graph generative models are a highly active branch of machine learning. Given the steady development of new models of ever-increasing complexity, it is necessary to provide a principled way to evaluate and compare them. In this paper, we enumerate the desirable criteria for such a comparison metric and provide an overview of the status quo of graph generative model comparison in use today, which predominantly relies on the maximum mean discrepancy (MMD). We perform a systematic evaluation of MMD in the context of graph generative model comparison, highlighting some of the challenges and pitfalls researchers inadvertently may encounter. After conducting a thorough analysis of the behaviour of MMD on synthetically-generated perturbed graphs as well as on recently-proposed graph generative models, we are able to provide a suitable procedure to mitigate these challenges and pitfalls. We aggregate our findings into a list of practical recommendations for researchers to use when evaluating graph generative models.

preprint2022arXiv

Clarifying MCMC-based training of modern EBMs : Contrastive Divergence versus Maximum Likelihood

The Energy-Based Model (EBM) framework is a very general approach to generative modeling that tries to learn and exploit probability distributions only defined though unnormalized scores. It has risen in popularity recently thanks to the impressive results obtained in image generation by parameterizing the distribution with Convolutional Neural Networks (CNN). However, the motivation and theoretical foundations behind modern EBMs are often absent from recent papers and this sometimes results in some confusion. In particular, the theoretical justifications behind the popular MCMC-based learning algorithm Contrastive Divergence (CD) are often glossed over and we find that this leads to theoretical errors in recent influential papers (Du & Mordatch, 2019; Du et al., 2020). After offering a first-principles introduction of MCMC-based training, we argue that the learning algorithm they use can in fact not be described as CD and reinterpret theirs methods in light of a new interpretation. Finally, we discuss the implications of our new interpretation and provide some illustrative experiments.

preprint2020arXiv

Diversity in Action: General-Sum Multi-Agent Continuous Inverse Optimal Control

Traffic scenarios are inherently interactive. Multiple decision-makers predict the actions of others and choose strategies that maximize their rewards. We view these interactions from the perspective of game theory which introduces various challenges. Humans are not entirely rational, their rewards need to be inferred from real-world data, and any prediction algorithm needs to be real-time capable so that we can use it in an autonomous vehicle (AV). In this work, we present a game-theoretic method that addresses all of the points above. Compared to many existing methods used for AVs, our approach does 1) not require perfect communication, and 2) allows for individual rewards per agent. Our experiments demonstrate that these more realistic assumptions lead to qualitatively and quantitatively different reward inference and prediction of future actions that match better with expected real-world behaviour.

preprint2022arXiv

Guarantees for Epsilon-Greedy Reinforcement Learning with Function Approximation

Myopic exploration policies such as epsilon-greedy, softmax, or Gaussian noise fail to explore efficiently in some reinforcement learning tasks and yet, they perform well in many others. In fact, in practice, they are often selected as the top choices, due to their simplicity. But, for what tasks do such policies succeed? Can we give theoretical guarantees for their favorable performance? These crucial questions have been scarcely investigated, despite the prominent practical importance of these policies. This paper presents a theoretical analysis of such policies and provides the first regret and sample-complexity bounds for reinforcement learning with myopic exploration. Our results apply to value-function-based algorithms in episodic MDPs with bounded Bellman Eluder dimension. We propose a new complexity measure called myopic exploration gap, denoted by alpha, that captures a structural property of the MDP, the exploration policy and the given value function class. We show that the sample-complexity of myopic exploration scales quadratically with the inverse of this quantity, 1 / alpha^2. We further demonstrate through concrete examples that myopic exploration gap is indeed favorable in several tasks where myopic exploration succeeds, due to the corresponding dynamics and reward structure.

preprint2022arXiv

Hierarchy exploitation to detect missing annotations on hierarchical multi-label classification

The availability of genomic data has grown exponentially in the last decade, mainly due to the development of new sequencing technologies. Based on the interactions between genes (and gene products) extracted from the increasing genomic data, numerous studies have focused on the identification of associations between genes and functions. While these studies have shown great promise, the problem of annotating genes with functions remains an open challenge. In this work, we present a method to detect missing annotations in hierarchical multi-label classification datasets. We propose a method that exploits the class hierarchy by computing aggregated probabilities to the paths of classes from the leaves to the root for each instance. The proposed method is presented in the context of predicting missing gene function annotations, where these aggregated probabilities are further used to select a set of annotations to be verified through in vivo experiments. The experiments on Oriza sativa Japonica, a variety of rice, showcase that incorporating the hierarchy of classes into the method often improves the predictive performance and our proposed method yields superior results when compared to competitor methods from the literature.

preprint2022arXiv

Towards trustworthy Energy Disaggregation: A review of challenges, methods and perspectives for Non-Intrusive Load Monitoring

Non-intrusive load monitoring (NILM) is the task of disaggregating the total power consumption into its individual sub-components. Over the years, signal processing and machine learning algorithms have been combined to achieve this. A lot of publications and extensive research works are performed on energy disaggregation or NILM for the state-of-the-art methods to reach on the desirable performance. The initial interest of the scientific community to formulate and describe mathematically the NILM problem using machine learning tools has now shifted into a more practical NILM. Nowadays, we are in the mature NILM period where there is an attempt for NILM to be applied in real-life application scenarios. Thus, complexity of the algorithms, transferability, reliability, practicality and in general trustworthiness are the main issues of interest. This review narrows the gap between the early immature NILM era and the mature one. In particular, the paper provides a comprehensive literature review of the NILM methods for residential appliances only. The paper analyzes, summarizes and presents the outcomes of a large number of recently published scholarly articles. Also, the paper discusses the highlights of these methods and introduces the research dilemmas that should be taken into consideration by researchers to apply NILM methods. Finally, we show the need for transferring the traditional disaggregation models into a practical and trustworthy framework.

preprint2020arXiv

Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs

We present Karate Club a Python framework combining more than 30 state-of-the-art graph mining algorithms which can solve unsupervised machine learning tasks. The primary goal of the package is to make community detection, node and whole graph embedding available to a wide audience of machine learning researchers and practitioners. We designed Karate Club with an emphasis on a consistent application interface, scalability, ease of use, sensible out of the box model behaviour, standardized dataset ingestion, and output generation. This paper discusses the design principles behind this framework with practical examples. We show Karate Club's efficiency with respect to learning performance on a wide range of real world clustering problems, classification tasks and support evidence with regards to its competitive speed.

preprint2022arXiv

Learning Not to Learn: Nature versus Nurture in Silico

Animals are equipped with a rich innate repertoire of sensory, behavioral and motor skills, which allows them to interact with the world immediately after birth. At the same time, many behaviors are highly adaptive and can be tailored to specific environments by means of learning. In this work, we use mathematical analysis and the framework of meta-learning (or 'learning to learn') to answer when it is beneficial to learn such an adaptive strategy and when to hard-code a heuristic behavior. We find that the interplay of ecological uncertainty, task complexity and the agents' lifetime has crucial effects on the meta-learned amortized Bayesian inference performed by an agent. There exist two regimes: One in which meta-learning yields a learning algorithm that implements task-dependent information-integration and a second regime in which meta-learning imprints a heuristic or 'hard-coded' behavior. Further analysis reveals that non-adaptive behaviors are not only optimal for aspects of the environment that are stable across individuals, but also in situations where an adaptation to the environment would in fact be highly beneficial, but could not be done quickly enough to be exploited within the remaining lifetime. Hard-coded behaviors should hence not only be those that always work, but also those that are too complex to be learned within a reasonable time frame.

preprint2015arXiv

Deep Learning and Music Adversaries

An adversary is essentially an algorithm intent on making a classification system perform in some particular way given an input, e.g., increase the probability of a false negative. Recent work builds adversaries for deep learning systems applied to image object recognition, which exploits the parameters of the system to find the minimal perturbation of the input image such that the network misclassifies it with high confidence. We adapt this approach to construct and deploy an adversary of deep learning systems applied to music content analysis. In our case, however, the input to the systems is magnitude spectral frames, which requires special care in order to produce valid input audio signals from network-derived perturbations. For two different train-test partitionings of two benchmark datasets, and two different deep architectures, we find that this adversary is very effective in defeating the resulting systems. We find the convolutional networks are more robust, however, compared with systems based on a majority vote over individually classified audio frames. Furthermore, we integrate the adversary into the training of new deep systems, but do not find that this improves their

preprint2022arXiv

Discovering the Hidden Vocabulary of DALLE-2

We discover that DALLE-2 seems to have a hidden vocabulary that can be used to generate images with absurd prompts. For example, it seems that \texttt{Apoploe vesrreaitais} means birds and \texttt{Contarra ccetnxniams luryca tanniounons} (sometimes) means bugs or pests. We find that these prompts are often consistent in isolation but also sometimes in combinations. We present our black-box method to discover words that seem random but have some correspondence to visual concepts. This creates important security and interpretability challenges.

preprint2016arXiv

Multi-Stage Temporal Difference Learning for 2048-like Games

Szubert and Jaskowski successfully used temporal difference (TD) learning together with n-tuple networks for playing the game 2048. However, we observed a phenomenon that the programs based on TD learning still hardly reach large tiles. In this paper, we propose multi-stage TD (MS-TD) learning, a kind of hierarchical reinforcement learning method, to effectively improve the performance for the rates of reaching large tiles, which are good metrics to analyze the strength of 2048 programs. Our experiments showed significant improvements over the one without using MS-TD learning. Namely, using 3-ply expectimax search, the program with MS-TD learning reached 32768-tiles with a rate of 18.31%, while the one with TD learning did not reach any. After further tuned, our 2048 program reached 32768-tiles with a rate of 31.75% in 10,000 games, and one among these games even reached a 65536-tile, which is the first ever reaching a 65536-tile to our knowledge. In addition, MS-TD learning method can be easily applied to other 2048-like games, such as Threes. Based on MS-TD learning, our experiments for Threes also demonstrated similar performance improvement, where the program with MS-TD learnin

preprint2022arXiv

Nimble GNN Embedding with Tensor-Train Decomposition

This paper describes a new method for representing embedding tables of graph neural networks (GNNs) more compactly via tensor-train (TT) decomposition. We consider the scenario where (a) the graph data that lack node features, thereby requiring the learning of embeddings during training; and (b) we wish to exploit GPU platforms, where smaller tables are needed to reduce host-to-GPU communication even for large-memory GPUs. The use of TT enables a compact parameterization of the embedding, rendering it small enough to fit entirely on modern GPUs even for massive graphs. When combined with judicious schemes for initialization and hierarchical graph partitioning, this approach can reduce the size of node embedding vectors by 1,659 times to 81,362 times on large publicly available benchmark datasets, achieving comparable or better accuracy and significant speedups on multi-GPU systems. In some cases, our model without explicit node features on input can even match the accuracy of models that use node features.

preprint2022arXiv

Tractable structured natural gradient descent using local parameterizations

Natural-gradient descent (NGD) on structured parameter spaces (e.g., low-rank covariances) is computationally challenging due to difficult Fisher-matrix computations. We address this issue by using \emph{local-parameter coordinates} to obtain a flexible and efficient NGD method that works well for a wide-variety of structured parameterizations. We show four applications where our method (1) generalizes the exponential natural evolutionary strategy, (2) recovers existing Newton-like algorithms, (3) yields new structured second-order algorithms via matrix groups, and (4) gives new algorithms to learn covariances of Gaussian and Wishart-based distributions. We show results on a range of problems from deep learning, variational inference, and evolution strategies. Our work opens a new direction for scalable structured geometric methods.

preprint2016arXiv

Comparison of 14 different families of classification algorithms on 115 binary datasets

We tested 14 very different classification algorithms (random forest, gradient boosting machines, SVM - linear, polynomial, and RBF - 1-hidden-layer neural nets, extreme learning machines, k-nearest neighbors and a bagging of knn, naive Bayes, learning vector quantization, elastic net logistic regression, sparse linear discriminant analysis, and a boosting of linear classifiers) on 115 real life binary datasets. We followed the Demsar analysis and found that the three best classifiers (random forest, gbm and RBF SVM) are not significantly different from each other. We also discuss that a change of less then 0.0112 in the error rate should be considered as an irrelevant change, and used a Bayesian ANOVA analysis to conclude that with high probability the differences between these three classifiers is not of practical consequence. We also verified the execution time of "standard implementations" of these algorithms and concluded that RBF SVM is the fastest (significantly so) both in training time and in training plus testing time.

preprint2022arXiv

A General End-to-end Diagnosis Framework for Manufacturing Systems

The manufacturing sector is envisioned to be heavily influenced by artificial intelligence-based technologies with the extraordinary increases in computational power and data volumes. A central challenge in manufacturing sector lies in the requirement of a general framework to ensure satisfied diagnosis and monitoring performances in different manufacturing applications. Here we propose a general data-driven, end-to-end framework for the monitoring of manufacturing systems. This framework, derived from deep learning techniques, evaluates fused sensory measurements to detect and even predict faults and wearing conditions. This work exploits the predictive power of deep learning to automatically extract hidden degradation features from noisy, time-course data. We have experimented the proposed framework on ten representative datasets drawn from a wide variety of manufacturing applications. Results reveal that the framework performs well in examined benchmark applications and can be applied in diverse contexts, indicating its potential use as a critical corner stone in smart manufacturing.

preprint2022arXiv

A Survey on Machine Learning Approaches for Modelling Intuitive Physics

Research in cognitive science has provided extensive evidence of human cognitive ability in performing physical reasoning of objects from noisy perceptual inputs. Such a cognitive ability is commonly known as intuitive physics. With advancements in deep learning, there is an increasing interest in building intelligent systems that are capable of performing physical reasoning from a given scene for the purpose of building better AI systems. As a result, many contemporary approaches in modelling intuitive physics for machine cognition have been inspired by literature from cognitive science. Despite the wide range of work in physical reasoning for machine cognition, there is a scarcity of reviews that organize and group these deep learning approaches. Especially at the intersection of intuitive physics and artificial intelligence, there is a need to make sense of the diverse range of ideas and approaches. Therefore, this paper presents a comprehensive survey of recent advances and techniques in intuitive physics-inspired deep learning approaches for physical reasoning. The survey will first categorize existing deep learning approaches into three facets of physical reasoning before organizing them into three general technical approaches and propose six categorical tasks of the field. Finally, we highlight the challenges of the current field and present some future research directions.

preprint2014arXiv

Approximate Decentralized Bayesian Inference

This paper presents an approximate method for performing Bayesian inference in models with conditional independence over a decentralized network of learning agents. The method first employs variational inference on each individual learning agent to generate a local approximate posterior, the agents transmit their local posteriors to other agents in the network, and finally each agent combines its set of received local posteriors. The key insight in this work is that, for many Bayesian models, approximate inference schemes destroy symmetry and dependencies in the model that are crucial to the correct application of Bayes' rule when combining the local posteriors. The proposed method addresses this issue by including an additional optimization step in the combination procedure that accounts for these broken dependencies. Experiments on synthetic and real data demonstrate that the decentralized method provides advantages in computational performance and predictive test likelihood over previous batch and distributed methods.

preprint2022arXiv

A reconfigurable integrated electronic tongue and its use in accelerated analysis of juices and wines

Potentiometric electronic tongues (ETs) leveraging trends in miniaturization and internet of things (IoT) bear promise for facile mobile chemical analysis of complex multicomponent liquids, such as beverages. In this work, hand-crafted feature extraction from the transient potentiometric response of an array of low-selective miniaturized polymeric sensors is combined with a data pipeline for deployment of trained machine learning models on a cloud back-end or edge device. The sensor array demonstrated sensitivity to different organic acids and exhibited interesting performance for the fingerprinting of fruit juices and wines, including differentiation of samples through supervised learning based on sensory descriptors and prediction of consumer acceptability of aged juice samples. Product authentication, quality control and support of sensory evaluation are some of the applications that are expected to benefit from integrated electronic tongues that facilitate the characterization of complex properties of multi-component liquids.

preprint2022arXiv

A Kernelised Stein Statistic for Assessing Implicit Generative Models

Synthetic data generation has become a key ingredient for training machine learning procedures, addressing tasks such as data augmentation, analysing privacy-sensitive data, or visualising representative samples. Assessing the quality of such synthetic data generators hence has to be addressed. As (deep) generative models for synthetic data often do not admit explicit probability distributions, classical statistical procedures for assessing model goodness-of-fit may not be applicable. In this paper, we propose a principled procedure to assess the quality of a synthetic data generator. The procedure is a kernelised Stein discrepancy (KSD)-type test which is based on a non-parametric Stein operator for the synthetic data generator of interest. This operator is estimated from samples which are obtained from the synthetic data generator and hence can be applied even when the model is only implicit. In contrast to classical testing, the sample size from the synthetic data generator can be as large as desired, while the size of the observed data, which the generator aims to emulate is fixed. Experimental results on synthetic distributions and trained generative models on synthetic and real datasets illustrate that the method shows improved power performance compared to existing approaches.

preprint2014arXiv

Tempering by Subsampling

In this paper we demonstrate that tempering Markov chain Monte Carlo samplers for Bayesian models by recursively subsampling observations without replacement can improve the performance of baseline samplers in terms of effective sample size per computation. We present two tempering by subsampling algorithms, subsampled parallel tempering and subsampled tempered transitions. We provide an asymptotic analysis of the computational cost of tempering by subsampling, verify that tempering by subsampling costs less than traditional tempering, and demonstrate both algorithms on Bayesian approaches to learning the mean of a high dimensional multivariate Normal and estimating Gaussian process hyperparameters.

preprint2020arXiv

Optimizing Medical Treatment for Sepsis in Intensive Care: from Reinforcement Learning to Pre-Trial Evaluation

Our aim is to establish a framework where reinforcement learning (RL) of optimizing interventions retrospectively allows us a regulatory compliant pathway to prospective clinical testing of the learned policies in a clinical deployment. We focus on infections in intensive care units which are one of the major causes of death and difficult to treat because of the complex and opaque patient dynamics, and the clinically debated, highly-divergent set of intervention policies required by each individual patient, yet intensive care units are naturally data rich. In our work, we build on RL approaches in healthcare ("AI Clinicians"), and learn off-policy continuous dosing policy of pharmaceuticals for sepsis treatment using historical intensive care data under partially observable MDPs (POMDPs). POMPDs capture uncertainty in patient state better by taking in all historical information, yielding an efficient representation, which we investigate through ablations. We compensate for the lack of exploration in our retrospective data by evaluating each encountered state with a best-first tree search. We mitigate state distributional shift by optimizing our policy in the vicinity of the

preprint2020arXiv

A Multi-criteria Approach for Fast and Outlier-aware Representative Selection from Manifolds

The problem of representative selection amounts to sampling few informative exemplars from large datasets. This paper presents MOSAIC, a novel representative selection approach from high-dimensional data that may exhibit non-linear structures. Resting upon a novel quadratic formulation, Our method advances a multi-criteria selection approach that maximizes the global representation power of the sampled subset, ensures diversity, and rejects disruptive information by effectively detecting outliers. Through theoretical analyses we characterize the obtained sketch and reveal that the sampled representatives maximize a well-defined notion of data coverage in a transformed space. In addition, we present a highly scalable randomized implementation of the proposed algorithm shown to bring about substantial speedups. MOSAIC's superiority in achieving the desired characteristics of a representative subset all at once while exhibiting remarkable robustness to various outlier types is demonstrated via extensive experiments conducted on both real and synthetic data with comparisons to state-of-the-art algorithms.

preprint2020arXiv

New Metrics Between Rational Spectra and their Connection to Optimal Transport

We propose a series of metrics between pairs of signals, linear systems or rational spectra, based on optimal transport and linear-systems theory. The metrics operate on the locations of the poles of rational functions and admit very efficient computation of distances, barycenters, displacement interpolation and projections. We establish the connection to the Wasserstein distance between rational spectra, and demonstrate the use of the metrics in tasks such as signal classification, clustering, detection and approximation.

preprint2011arXiv

Internal Regret with Partial Monitoring. Calibration-Based Optimal Algorithms

We provide consistent random algorithms for sequential decision under partial monitoring, i.e. when the decision maker does not observe the outcomes but receives instead random feedback signals. Those algorithms have no internal regret in the sense that, on the set of stages where the decision maker chose his action according to a given law, the average payoff could not have been improved in average by using any other fixed law. They are based on a generalization of calibration, no longer defined in terms of a Voronoi diagram but instead of a Laguerre diagram (a more general concept). This allows us to bound, for the first time in this general framework, the expected average internal -- as well as the usual external -- regret at stage $n$ by $O(n^{-1/3})$, which is known to be optimal.