pwc-archive/papers-with-abstracts huggingface dataset:
Coordinating Distributed Example Orders for Provably Accelerated Training
Authors: A. Feder Cooper, Wentao Guo, Khiem Pham, Tiancheng Yuan, Charlie F. Ruan, Yucheng Lu, Christopher De Sa
Date: 2023-02-02 00:00:00
Proceeding: NeurIPS 2023 11

Recent research on online Gradient Balancing (GraB) has revealed that there exist permutation-based example orderings for SGD that are guaranteed to outperform random reshuffling (RR). Whereas RR arbitrarily permutes training examples, GraB leverages stale gradients from prior epochs to order examples -- achieving a provably faster convergence rate than RR. However, GraB is limited by design: while it demonstrates an impressive ability to scale-up training on centralized data, it does not naturally extend to modern distributed ML workloads. We therefore propose Coordinated Distributed GraB (CD-GraB), which uses insights from prior work on kernel thinning to translate the benefits of provably faster permutation-based example ordering to distributed settings. With negligible overhead, CD-GraB exhibits a linear speedup in convergence rate over centralized GraB and outperforms distributed RR on a variety of benchmark tasks.
Fast Online Value-Maximizing Prediction Sets with Conformal Cost Control
Authors: Zhen Lin, Shubhendu Trivedi, Cao Xiao, Jimeng Sun
Date: 2023-02-02 00:00:00

Many real-world multi-label prediction problems involve set-valued predictions that must satisfy specific requirements dictated by downstream usage. We focus on a typical scenario where such requirements, separately encoding $\textit{value}$ and $\textit{cost}$, compete with each other. For instance, a hospital might expect a smart diagnosis system to capture as many severe, often co-morbid, diseases as possible (the value), while maintaining strict control over incorrect predictions (the cost). We present a general pipeline, dubbed as FavMac, to maximize the value while controlling the cost in such scenarios. FavMac can be combined with almost any multi-label classifier, affording distribution-free theoretical guarantees on cost control. Moreover, unlike prior works, it can handle real-world large-scale applications via a carefully designed online update mechanism, which is of independent interest. Our methodological and theoretical contributions are supported by experiments on several healthcare tasks and synthetic datasets - FavMac furnishes higher value compared with several variants and baselines while maintaining strict cost control. Our code is available at https://github.com/zlin7/FavMac
Sharp Lower Bounds on Interpolation by Deep ReLU Neural Networks at Irregularly Spaced Data
Authors: Jonathan W. Siegel
Date: 2023-02-02 00:00:00
Tasks: Memorization

We study the interpolation power of deep ReLU neural networks. Specifically, we consider the question of how efficiently, in terms of the number of parameters, deep ReLU networks can interpolate values at $N$ datapoints in the unit ball which are separated by a distance $\delta$. We show that $\Omega(N)$ parameters are required in the regime where $\delta$ is exponentially small in $N$, which gives the sharp result in this regime since $O(N)$ parameters are always sufficient. This also shows that the bit-extraction technique used to prove lower bounds on the VC dimension cannot be applied to irregularly spaced datapoints. Finally, as an application we give a lower bound on the approximation rates that deep ReLU neural networks can achieve for Sobolev spaces at the embedding endpoint.
Recurrent Graph Convolutional Networks for Spatiotemporal Prediction of Snow Accumulation Using Airborne Radar
Authors: Benjamin Zalatan, Maryam Rahnemoonfar
Date: 2023-02-02 00:00:00

The accurate prediction and estimation of annual snow accumulation has grown in importance as we deal with the effects of climate change and the increase of global atmospheric temperatures. Airborne radar sensors, such as the Snow Radar, are able to measure accumulation rate patterns at a large-scale and monitor the effects of ongoing climate change on Greenland's precipitation and run-off. The Snow Radar's use of an ultra-wide bandwidth enables a fine vertical resolution that helps in capturing internal ice layers. Given the amount of snow accumulation in previous years using the radar data, in this paper, we propose a machine learning model based on recurrent graph convolutional networks to predict the snow accumulation in recent consecutive years at a certain location. We found that the model performs better and with more consistency than equivalent nongeometric and nontemporal models.
Oracle-Preserving Latent Flows
Authors: Alexander Roman, Roy T. Forestano, Konstantin T. Matchev, Katia Matcheva, Eyup B. Unlu
Date: 2023-02-02 00:00:00

We develop a deep learning methodology for the simultaneous discovery of multiple nontrivial continuous symmetries across an entire labelled dataset. The symmetry transformations and the corresponding generators are modeled with fully connected neural networks trained with a specially constructed loss function ensuring the desired symmetry properties. The two new elements in this work are the use of a reduced-dimensionality latent space and the generalization to transformations invariant with respect to high-dimensional oracles. The method is demonstrated with several examples on the MNIST digit dataset.
Using Machine Learning to Develop Smart Reflex Testing Protocols
Authors: Matthew McDermott, Anand Dighe, Peter Szolovits, Yuan Luo, Jason Baron
Date: 2023-02-01 00:00:00
Tasks: Diagnostic, Imputation, Management

Objective: Reflex testing protocols allow clinical laboratories to perform second line diagnostic tests on existing specimens based on the results of initially ordered tests. Reflex testing can support optimal clinical laboratory test ordering and diagnosis. In current clinical practice, reflex testing typically relies on simple "if-then" rules; however, this limits their scope since most test ordering decisions involve more complexity than a simple rule will allow. Here, using the analyte ferritin as an example, we propose an alternative machine learning-based approach to "smart" reflex testing with a wider scope and greater impact than traditional rule-based approaches. Methods: Using patient data, we developed a machine learning model to predict whether a patient getting CBC testing will also have ferritin testing ordered, consider applications of this model to "smart" reflex testing, and evaluate the model by comparing its performance to possible rule-based approaches. Results: Our underlying machine learning models performed moderately well in predicting ferritin test ordering and demonstrated greater suitability to reflex testing than rule-based approaches. Using chart review, we demonstrate that our model may improve ferritin test ordering. Finally, as a secondary goal, we demonstrate that ferritin test results are missing not at random (MNAR), a finding with implications for unbiased imputation of missing test results. Conclusions: Machine learning may provide a foundation for new types of reflex testing with enhanced benefits for clinical diagnosis and laboratory utilization management.
A supplemental investigation of non-linearity in quantum generative models with respect to simulatability and optimization
Authors: Kaitlin Gili, Rohan S. Kumar, Mykolas Sveistrys, C. J. Ballance
Date: 2023-02-01 00:00:00
Tasks: Form

Recent work has demonstrated the utility of introducing non-linearity through repeat-until-success (RUS) sub-routines into quantum circuits for generative modeling. As a follow-up to this work, we investigate two questions of relevance to the quantum algorithms and machine learning communities: Does introducing this form of non-linearity make the learning model classically simulatable due to the deferred measurement principle? And does introducing this form of non-linearity make the overall model's training more unstable? With respect to the first question, we demonstrate that the RUS sub-routines do not allow us to trivially map this quantum model to a classical one, whereas a model without RUS sub-circuits containing mid-circuit measurements could be mapped to a classical Bayesian network due to the deferred measurement principle of quantum mechanics. This strongly suggests that the proposed form of non-linearity makes the model classically in-efficient to simulate. In the pursuit of the second question, we train larger models than previously shown on three different probability distributions, one continuous and two discrete, and compare the training performance across multiple random trials. We see that while the model is able to perform exceptionally well in some trials, the variance across trials with certain datasets quantifies its relatively poor training stability.
FAVOR#: Sharp Attention Kernel Approximations via New Classes of Positive Random Features
Authors: Valerii Likhosherstov, Krzysztof Choromanski, Avinava Dubey, Frederick Liu, Tamas Sarlos, Adrian Weller
Date: 2023-02-01 00:00:00

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice ($e^{10}$-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.
Model Monitoring and Robustness of In-Use Machine Learning Models: Quantifying Data Distribution Shifts Using Population Stability Index
Authors: Aria Khademi, Michael Hopka, Devesh Upadhyay
Date: 2023-02-01 00:00:00
Tasks: Autonomous Driving

Safety goes first. Meeting and maintaining industry safety standards for robustness of artificial intelligence (AI) and machine learning (ML) models require continuous monitoring for faults and performance drops. Deep learning models are widely used in industrial applications, e.g., computer vision, but the susceptibility of their performance to environment changes (e.g., noise) \emph{after deployment} on the product, are now well-known. A major challenge is detecting data distribution shifts that happen, comparing the following: {\bf (i)} development stage of AI and ML models, i.e., train/validation/test, to {\bf (ii)} deployment stage on the product (i.e., even after `testing') in the environment. We focus on a computer vision example related to autonomous driving and aim at detecting shifts that occur as a result of adding noise to images. We use the population stability index (PSI) as a measure of presence and intensity of shift and present results of our empirical experiments showing a promising potential for the PSI. We further discuss multiple aspects of model monitoring and robustness that need to be analyzed \emph{simultaneously} to achieve robustness for industry safety standards. We propose the need for and the research direction toward \emph{categorizations} of problem classes and examples where monitoring for robustness is required and present challenges and pointers for future work from a \emph{practical} perspective.
Toward Physically Plausible Data-Driven Models: A Novel Neural Network Approach to Symbolic Regression
Authors: Jiří Kubalík, Erik Derner, Robert Babuška
Date: 2023-02-01 00:00:00
Tasks: regression, Symbolic Regression

Many real-world systems can be described by mathematical models that are human-comprehensible, easy to analyze and help explain the system's behavior. Symbolic regression is a method that can automatically generate such models from data. Historically, symbolic regression has been predominantly realized by genetic programming, a method that evolves populations of candidate solutions that are subsequently modified by genetic operators crossover and mutation. However, this approach suffers from several deficiencies: it does not scale well with the number of variables and samples in the training data - models tend to grow in size and complexity without an adequate accuracy gain, and it is hard to fine-tune the model coefficients using just genetic operators. Recently, neural networks have been applied to learn the whole analytic model, i.e., its structure and the coefficients, using gradient-based optimization algorithms. This paper proposes a novel neural network-based symbolic regression method that constructs physically plausible models based on even very small training data sets and prior knowledge about the system. The method employs an adaptive weighting scheme to effectively deal with multiple loss function terms and an epoch-wise learning process to reduce the chance of getting stuck in poor local optima. Furthermore, we propose a parameter-free method for choosing the model with the best interpolation and extrapolation performance out of all the models generated throughout the whole learning process. We experimentally evaluate the approach on four test systems: the TurtleBot 2 mobile robot, the magnetic manipulation system, the equivalent resistance of two resistors in parallel, and the longitudinal force of the anti-lock braking system. The results clearly show the potential of the method to find parsimonious models that comply with the prior knowledge provided.
ImageNomer: description of a functional connectivity and omics analysis tool and case study identifying a race confound
Authors: Anton Orlichenko, Grant Daly, Ziyu Zhou, Anqi Liu, Hui Shen, Hong-Wen Deng, Yu-Ping Wang
Date: 2023-02-01 00:00:00
Tasks: Data Visualization, Functional Connectivity, Navigate

Most packages for the analysis of fMRI-based functional connectivity (FC) and genomic data are used with a programming language interface, lacking an easy-to-navigate GUI frontend. This exacerbates two problems found in these types of data: demographic confounds and quality control in the face of high dimensionality of features. The reason is that it is too slow and cumbersome to use a programming interface to create all the necessary visualizations required to identify all correlations, confounding effects, or quality control problems in a dataset. To remedy this situation, we have developed ImageNomer, a data visualization and analysis tool that allows inspection of both subject-level and cohort-level demographic, genomic, and imaging features. The software is Python-based, runs in a self-contained Docker image, and contains a browser-based GUI frontend. We demonstrate the usefulness of ImageNomer by identifying an unexpected race confound when predicting achievement scores in the Philadelphia Neurodevelopmental Cohort (PNC) dataset. In the past, many studies have attempted to use FC to identify achievement-related features in fMRI. Using ImageNomer, we find a clear potential for confounding effects of race. Using correlation analysis in the ImageNomer software, we show that FCs correlated with Wide Range Achievement Test (WRAT) score are in fact more highly correlated with race. Investigating further, we find that whereas both FC and SNP (genomic) features can account for 10-15\% of WRAT score variation, this predictive ability disappears when controlling for race. In this work, we demonstrate the advantage of our ImageNomer GUI tool in data exploration and confound detection. Additionally, this work identifies race as a strong confound in FC data and casts doubt on the possibility of finding unbiased achievement-related features in fMRI and SNP data of healthy adolescents.
Privacy Risk for anisotropic Langevin dynamics using relative entropy bounds
Authors: Anastasia Borovykh, Nikolas Kantas, Panos Parpas, Greg Pavliotis
Date: 2023-02-01 00:00:00
Tasks: Inference Attack, Membership Inference Attack, Privacy Preserving

The privacy preserving properties of Langevin dynamics with additive isotropic noise have been extensively studied. However, the isotropic noise assumption is very restrictive: (a) when adding noise to existing learning algorithms to preserve privacy and maintain the best possible accuracy one should take into account the relative magnitude of the outputs and their correlations; (b) popular algorithms such as stochastic gradient descent (and their continuous time limits) appear to possess anisotropic covariance properties. To study the privacy risks for the anisotropic noise case, one requires general results on the relative entropy between the laws of two Stochastic Differential Equations with different drifts and diffusion coefficients. Our main contribution is to establish such a bound using stability estimates for solutions to the Fokker-Planck equations via functional inequalities. With additional assumptions, the relative entropy bound implies an $(\epsilon,\delta)$-differential privacy bound or translates to bounds on the membership inference attack success and we show how anisotropic noise can lead to better privacy-accuracy trade-offs. Finally, the benefits of anisotropic noise are illustrated using numerical results in quadratic loss and neural network setups.
Hierarchical shrinkage Gaussian processes: applications to computer code emulation and dynamical system recovery
Authors: Tao Tang, Simon Mak, David Dunson
Date: 2023-02-01 00:00:00
Tasks: Gaussian Processes, Uncertainty Quantification

In many areas of science and engineering, computer simulations are widely used as proxies for physical experiments, which can be infeasible or unethical. Such simulations can often be computationally expensive, and an emulator can be trained to efficiently predict the desired response surface. A widely-used emulator is the Gaussian process (GP), which provides a flexible framework for efficient prediction and uncertainty quantification. Standard GPs, however, do not capture structured sparsity on the underlying response surface, which is present in many applications, particularly in the physical sciences. We thus propose a new hierarchical shrinkage GP (HierGP), which incorporates such structure via cumulative shrinkage priors within a GP framework. We show that the HierGP implicitly embeds the well-known principles of effect sparsity, heredity and hierarchy for analysis of experiments, which allows our model to identify structured sparse features from the response surface with limited data. We propose efficient posterior sampling algorithms for model training and prediction, and prove desirable consistency properties for the HierGP. Finally, we demonstrate the improved performance of HierGP over existing models, in a suite of numerical experiments and an application to dynamical system recovery.
Universal Soldier: Using Universal Adversarial Perturbations for Detecting Backdoor Attacks
Authors: Xiaoyun Xu, Oguzhan Ersoy, Stjepan Picek
Date: 2023-02-01 00:00:00
Tasks: Adversarial Attack

Deep learning models achieve excellent performance in numerous machine learning tasks. Yet, they suffer from security-related issues such as adversarial examples and poisoning (backdoor) attacks. A deep learning model may be poisoned by training with backdoored data or by modifying inner network parameters. Then, a backdoored model performs as expected when receiving a clean input, but it misclassifies when receiving a backdoored input stamped with a pre-designed pattern called "trigger". Unfortunately, it is difficult to distinguish between clean and backdoored models without prior knowledge of the trigger. This paper proposes a backdoor detection method by utilizing a special type of adversarial attack, universal adversarial perturbation (UAP), and its similarities with a backdoor trigger. We observe an intuitive phenomenon: UAPs generated from backdoored models need fewer perturbations to mislead the model than UAPs from clean models. UAPs of backdoored models tend to exploit the shortcut from all classes to the target class, built by the backdoor trigger. We propose a novel method called Universal Soldier for Backdoor detection (USB) and reverse engineering potential backdoor triggers via UAPs. Experiments on 345 models trained on several datasets show that USB effectively detects the injected backdoor and provides comparable or better results than state-of-the-art methods.
Approximating the Shapley Value without Marginal Contributions
Authors: Patrick Kolpaczki, Viktor Bengs, Maximilian Muschalik, Eyke Hüllermeier
Date: 2023-02-01 00:00:00
Tasks: Explainable artificial intelligence

The Shapley value, which is arguably the most popular approach for assigning a meaningful contribution value to players in a cooperative game, has recently been used intensively in explainable artificial intelligence. Its meaningfulness is due to axiomatic properties that only the Shapley value satisfies, which, however, comes at the expense of an exact computation growing exponentially with the number of agents. Accordingly, a number of works are devoted to the efficient approximation of the Shapley value, most of them revolve around the notion of an agent's marginal contribution. In this paper, we propose with SVARM and Stratified SVARM two parameter-free and domain-independent approximation algorithms based on a representation of the Shapley value detached from the notion of marginal contribution. We prove unmatched theoretical guarantees regarding their approximation quality and provide empirical results including synthetic games as well as common explainability use cases comparing ourselves with state-of-the-art methods.
The Weisfeiler-Lehman Distance: Reinterpretation and Connection with GNNs
Authors: Samantha Chen, Sunhyuk Lim, Facundo Mémoli, Zhengchao Wan, Yusu Wang
Date: 2023-02-01 00:00:00

In this paper, we present a novel interpretation of the so-called Weisfeiler-Lehman (WL) distance, introduced by Chen et al. (2022), using concepts from stochastic processes. The WL distance aims at comparing graphs with node features, has the same discriminative power as the classic Weisfeiler-Lehman graph isomorphism test and has deep connections to the Gromov-Wasserstein distance. This new interpretation connects the WL distance to the literature on distances for stochastic processes, which also makes the interpretation of the distance more accessible and intuitive. We further explore the connections between the WL distance and certain Message Passing Neural Networks, and discuss the implications of the WL distance for understanding the Lipschitz property and the universal approximation results for these networks.
Riemannian Stochastic Approximation for Minimizing Tame Nonsmooth Objective Functions
Authors: Johannes Aspman, Vyacheslav Kungurtsev, Reza Roohi Seraji
Date: 2023-02-01 00:00:00
Tasks: Riemannian optimization

In many learning applications, the parameters in a model are structurally constrained in a way that can be modeled as them lying on a Riemannian manifold. Riemannian optimization, wherein procedures to enforce an iterative minimizing sequence to be constrained to the manifold, is used to train such models. At the same time, tame geometry has become a significant topological description of nonsmooth functions that appear in the landscapes of training neural networks and other important models with structural compositions of continuous nonlinear functions with nonsmooth maps. In this paper, we study the properties of such stratifiable functions on a manifold and the behavior of retracted stochastic gradient descent, with diminishing stepsizes, for minimizing such functions.