pwc-archive/papers-with-abstracts huggingface dataset:
Development and Validation of ML-DQA -- a Machine Learning Data Quality Assurance Framework for Healthcare
Authors: Mark Sendak, Gaurav Sirdeshmukh, Timothy Ochoa, Hayley Premo, Linda Tang, Kira Niederhoffer, Sarah Reed, Kaivalya Deshpande, Emily Sterrett, Melissa Bauer, Laurie Snyder, Afreen Shariff, David Whellan, Jeffrey Riggio, David Gaieski, Kristin Corey, Megan Richards, Michael Gao, Marshall Nichols, Bradley Heintze, William Knechtle, William Ratliff, Suresh Balu
Date: 2022-08-04 00:00:00
Tasks: All

The approaches by which the machine learning and clinical research communities utilize real world data (RWD), including data captured in the electronic health record (EHR), vary dramatically. While clinical researchers cautiously use RWD for clinical investigations, ML for healthcare teams consume public datasets with minimal scrutiny to develop new algorithms. This study bridges this gap by developing and validating ML-DQA, a data quality assurance framework grounded in RWD best practices. The ML-DQA framework is applied to five ML projects across two geographies, different medical conditions, and different cohorts. A total of 2,999 quality checks and 24 quality reports were generated on RWD gathered on 247,536 patients across the five projects. Five generalizable practices emerge: all projects used a similar method to group redundant data element representations; all projects used automated utilities to build diagnosis and medication data elements; all projects used a common library of rules-based transformations; all projects used a unified approach to assign data quality checks to data elements; and all projects used a similar approach to clinical adjudication. An average of 5.8 individuals, including clinicians, data scientists, and trainees, were involved in implementing ML-DQA for each project and an average of 23.4 data elements per project were either transformed or removed in response to ML-DQA. This study demonstrates the importance role of ML-DQA in healthcare projects and provides teams a framework to conduct these essential activities.
Explaining Classifiers Trained on Raw Hierarchical Multiple-Instance Data
Authors: Tomáš Pevný, Viliam Lisý, Branislav Bošanský, Petr Somol, Michal Pěchouček
Date: 2022-08-04 00:00:00
Tasks: Feature Engineering, Form, Multiple Instance Learning

Learning from raw data input, thus limiting the need for feature engineering, is a component of many successful applications of machine learning methods in various domains. While many problems naturally translate into a vector representation directly usable in standard classifiers, a number of data sources have the natural form of structured data interchange formats (e.g., security logs in JSON/XML format). Existing methods, such as in Hierarchical Multiple Instance Learning (HMIL), allow learning from such data in their raw form. However, the explanation of the classifiers trained on raw structured data remains largely unexplored. By treating these models as sub-set selections problems, we demonstrate how interpretable explanations, with favourable properties, can be generated using computationally efficient algorithms. We compare to an explanation technique adopted from graph neural networks showing an order of magnitude speed-up and higher-quality explanations.
An Optimal Likelihood Free Method for Biological Model Selection
Authors: Vincent D. Zaballa, Elliot E. Hui
Date: 2022-08-03 00:00:00
Tasks: Drug Discovery, Math, Model Selection

Systems biology seeks to create math models of biological systems to reduce inherent biological complexity and provide predictions for applications such as therapeutic development. However, it remains a challenge to determine which math model is correct and how to arrive optimally at the answer. We present an algorithm for automated biological model selection using mathematical models of systems biology and likelihood free inference methods. Our algorithm shows improved performance in arriving at correct models without a priori information over conventional heuristics used in experimental biology and random search. This method shows promise to accelerate biological basic science and drug discovery.
Bayesian regularization of empirical MDPs
Authors: Samarth Gupta, Daniel N. Hill, Lexing Ying, Inderjit Dhillon
Date: 2022-08-03 00:00:00

In most applications of model-based Markov decision processes, the parameters for the unknown underlying model are often estimated from the empirical data. Due to noise, the policy learnedfrom the estimated model is often far from the optimal policy of the underlying model. When applied to the environment of the underlying model, the learned policy results in suboptimal performance, thus calling for solutions with better generalization performance. In this work we take a Bayesian perspective and regularize the objective function of the Markov decision process with prior information in order to obtain more robust policies. Two approaches are proposed, one based on $L^1$ regularization and the other on relative entropic regularization. We evaluate our proposed algorithms on synthetic simulations and on real-world search logs of a large scale online shopping store. Our results demonstrate the robustness of regularized MDP policies against the noise present in the models.
AACC: Asymmetric Actor-Critic in Contextual Reinforcement Learning
Authors: Wangyang Yue, Yuan Zhou, Xiaochuan Zhang, Yuchen Hua, Zhiyuan Wang, Guang Kou
Date: 2022-08-03 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL)

Reinforcement Learning (RL) techniques have drawn great attention in many challenging tasks, but their performance deteriorates dramatically when applied to real-world problems. Various methods, such as domain randomization, have been proposed to deal with such situations by training agents under different environmental setups, and therefore they can be generalized to different environments during deployment. However, they usually do not incorporate the underlying environmental factor information that the agents interact with properly and thus can be overly conservative when facing changes in the surroundings. In this paper, we first formalize the task of adapting to changing environmental dynamics in RL as a generalization problem using Contextual Markov Decision Processes (CMDPs). We then propose the Asymmetric Actor-Critic in Contextual RL (AACC) as an end-to-end actor-critic method to deal with such generalization tasks. We demonstrate the essential improvements in the performance of AACC over existing baselines experimentally in a range of simulated environments.
Improving Meta-Learning Generalization with Activation-Based Early-Stopping
Authors: Simon Guiroy, Christopher Pal, Gonçalo Mordido, Sarath Chandar
Date: 2022-08-03 00:00:00
Tasks: Few-Shot Learning, Meta-Learning, Transfer Learning

Meta-Learning algorithms for few-shot learning aim to train neural networks capable of generalizing to novel tasks using only a few examples. Early-stopping is critical for performance, halting model training when it reaches optimal generalization to the new task distribution. Early-stopping mechanisms in Meta-Learning typically rely on measuring the model performance on labeled examples from a meta-validation set drawn from the training (source) dataset. This is problematic in few-shot transfer learning settings, where the meta-test set comes from a different target dataset (OOD) and can potentially have a large distributional shift with the meta-validation set. In this work, we propose Activation Based Early-stopping (ABE), an alternative to using validation-based early-stopping for meta-learning. Specifically, we analyze the evolution, during meta-training, of the neural activations at each hidden layer, on a small set of unlabelled support examples from a single task of the target tasks distribution, as this constitutes a minimal and justifiably accessible information from the target problem. Our experiments show that simple, label agnostic statistics on the activations offer an effective way to estimate how the target generalization evolves over time. At each hidden layer, we characterize the activation distributions, from their first and second order moments, then further summarized along the feature dimensions, resulting in a compact yet intuitive characterization in a four-dimensional space. Detecting when, throughout training time, and at which layer, the target activation trajectory diverges from the activation trajectory of the source data, allows us to perform early-stopping and improve generalization in a large array of few-shot transfer learning settings, across different algorithms, source and target datasets.
Bayesian Optimization with Informative Covariance
Authors: Afonso Eduardo, Michael U. Gutmann
Date: 2022-08-04 00:00:00
Tasks: Bayesian Optimization, Gaussian Processes, global-optimization, regression

Bayesian optimization is a methodology for global optimization of unknown and expensive objectives. It combines a surrogate Bayesian regression model with an acquisition function to decide where to evaluate the objective. Typical regression models are given by Gaussian processes with stationary covariance functions. However, these functions are unable to express prior input-dependent information, including possible locations of the optimum. The ubiquity of stationary models has led to the common practice of exploiting prior information via informative mean functions. In this paper, we highlight that these models can perform poorly, especially in high dimensions. We propose novel informative covariance functions for optimization, leveraging nonstationarity to encode preferences for certain regions of the search space and adaptively promote local exploration during optimization. We demonstrate that the proposed functions can increase the sample efficiency of Bayesian optimization in high dimensions, even under weak prior information.
Agnostic Learning of General ReLU Activation Using Gradient Descent
Authors: Pranjal Awasthi, Alex Tang, Aravindan Vijayaraghavan
Date: 2022-08-04 00:00:00

We provide a convergence analysis of gradient descent for the problem of agnostically learning a single ReLU function with moderate bias under Gaussian distributions. Unlike prior work that studies the setting of zero bias, we consider the more challenging scenario when the bias of the ReLU function is non-zero. Our main result establishes that starting from random initialization, in a polynomial number of iterations gradient descent outputs, with high probability, a ReLU function that achieves an error that is within a constant factor of the optimal error of the best ReLU function with moderate bias. We also provide finite sample guarantees, and these techniques generalize to a broader class of marginal distributions beyond Gaussians.
Feature selection with gradient descent on two-layer networks in low-rotation regimes
Authors: Matus Telgarsky
Date: 2022-08-04 00:00:00
Tasks: feature selection

This work establishes low test error of gradient flow (GF) and stochastic gradient descent (SGD) on two-layer ReLU networks with standard initialization, in three regimes where key sets of weights rotate little (either naturally due to GF and SGD, or due to an artificial constraint), and making use of margins as the core analytic technique. The first regime is near initialization, specifically until the weights have moved by $\mathcal{O}(\sqrt m)$, where $m$ denotes the network width, which is in sharp contrast to the $\mathcal{O}(1)$ weight motion allowed by the Neural Tangent Kernel (NTK); here it is shown that GF and SGD only need a network width and number of samples inversely proportional to the NTK margin, and moreover that GF attains at least the NTK margin itself, which suffices to establish escape from bad KKT points of the margin objective, whereas prior work could only establish nondecreasing but arbitrarily small margins. The second regime is the Neural Collapse (NC) setting, where data lies in extremely-well-separated groups, and the sample complexity scales with the number of groups; here the contribution over prior work is an analysis of the entire GF trajectory from initialization. Lastly, if the inner layer weights are constrained to change in norm only and can not rotate, then GF with large widths achieves globally maximal margins, and its sample complexity scales with their inverse; this is in contrast to prior work, which required infinite width and a tricky dual convergence assumption. As purely technical contributions, this work develops a variety of potential functions and other tools which will hopefully aid future work.
Towards Understanding Mixture of Experts in Deep Learning
Authors: Zixiang Chen, Yihe Deng, Yue Wu, Quanquan Gu, Yuanzhi Li
Date: 2022-08-04 00:00:00
Tasks: Deep Learning, Mixture-of-Experts

The Mixture-of-Experts (MoE) layer, a sparsely-activated model controlled by a router, has achieved great success in deep learning. However, the understanding of such architecture remains elusive. In this paper, we formally study how the MoE layer improves the performance of neural network learning and why the mixture model will not collapse into a single model. Our empirical results suggest that the cluster structure of the underlying problem and the non-linearity of the expert are pivotal to the success of MoE. To further understand this, we consider a challenging classification problem with intrinsic cluster structures, which is hard to learn using a single expert. Yet with the MoE layer, by choosing the experts as two-layer nonlinear convolutional neural networks (CNNs), we show that the problem can be learned successfully. Furthermore, our theory shows that the router can learn the cluster-center features, which helps divide the input complex problem into simpler linear classification sub-problems that individual experts can conquer. To our knowledge, this is the first result towards formally understanding the mechanism of the MoE layer for deep learning.
Conformal Risk Control
Authors: Anastasios N. Angelopoulos, Stephen Bates, Adam Fisch, Lihua Lei, Tal Schuster
Date: 2022-08-04 00:00:00
Tasks: Conformal Prediction, Prediction

We extend conformal prediction to control the expected value of any monotone loss function. The algorithm generalizes split conformal prediction together with its coverage guarantee. Like conformal prediction, the conformal risk control procedure is tight up to an $\mathcal{O}(1/n)$ factor. We also introduce extensions of the idea to distribution shift, quantile risk control, multiple and adversarial risk control, and expectations of U-statistics. Worked examples from computer vision and natural language processing demonstrate the usage of our algorithm to bound the false negative rate, graph distance, and token-level F1-score.
Simplifying Sparse Expert Recommendation by Revisiting Graph Diffusion
Authors: Vaibhav Krishna, Nino Antulov-Fantulin
Date: 2022-08-04 00:00:00
Tasks: Community Question Answering, Question Answering

Community Question Answering (CQA) websites have become valuable knowledge repositories where individuals exchange information by asking and answering questions. With an ever-increasing number of questions and high migration of users in and out of communities, a key challenge is to design effective strategies for recommending experts for new questions. In this paper, we propose a simple graph-diffusion expert recommendation model for CQA, that can outperform state-of-the art deep learning representatives and collaborative models. Our proposed method learns users' expertise in the context of both semantic and temporal information to capture their changing interest and activity levels with time. Experiments on five real-world datasets from the Stack Exchange network demonstrate that our approach outperforms competitive baseline methods. Further, experiments on cold-start users (users with a limited historical record) show our model achieves an average of ~ 30% performance gain compared to the best baseline method.
Unconventional application of k-means for distributed approximate similarity search
Authors: Felipe Ortega, Maria Jesus Algar, Isaac Martín de Diego, Javier M. Moguerza
Date: 2022-08-04 00:00:00
Tasks: Distributed Computing

Similarity search based on a distance function in metric spaces is a fundamental problem for many applications. Queries for similar objects lead to the well-known machine learning task of nearest-neighbours identification. Many data indexing strategies, collectively known as Metric Access Methods (MAM), have been proposed to speed up queries for similar elements in this context. Moreover, since exact approaches to solve similarity queries can be complex and time-consuming, alternative options have appeared to reduce query execution time, such as returning approximate results or resorting to distributed computing platforms. In this paper, we introduce MASK (Multilevel Approximate Similarity search with $k$-means), an unconventional application of the $k$-means algorithm as the foundation of a multilevel index structure for approximate similarity search, suitable for metric spaces. We show that inherent properties of $k$-means, like representing high-density data areas with fewer prototypes, can be leveraged for this purpose. An implementation of this new indexing method is evaluated, using a synthetic dataset and a real-world dataset in a high-dimensional and high-sparsity space. Results are promising and underpin the applicability of this novel indexing method in multiple domains.
GROWN+UP: A Graph Representation Of a Webpage Network Utilizing Pre-training
Authors: Benedict Yeoh, Huijuan Wang
Date: 2022-08-03 00:00:00
Tasks: Genre classification, Graph Neural Network, Information Retrieval, Retrieval, Webpage Object Detection

Large pre-trained neural networks are ubiquitous and critical to the success of many downstream tasks in natural language processing and computer vision. However, within the field of web information retrieval, there is a stark contrast in the lack of similarly flexible and powerful pre-trained models that can properly parse webpages. Consequently, we believe that common machine learning tasks like content extraction and information mining from webpages have low-hanging gains that yet remain untapped. We aim to close the gap by introducing an agnostic deep graph neural network feature extractor that can ingest webpage structures, pre-train self-supervised on massive unlabeled data, and fine-tune to arbitrary tasks on webpages effectually. Finally, we show that our pre-trained model achieves state-of-the-art results using multiple datasets on two very different benchmarks: webpage boilerplate removal and genre classification, thus lending support to its potential application in diverse downstream tasks.
Analyzing social media with crowdsourcing in Crowd4SDG
Authors: Carlo Bono, Mehmet Oğuz Mülâyim, Cinzia Cappiello, Mark Carman, JesUs Cerquides, Jose Luis Fernandez-Marquez, Rosy Mondardini, Edoardo Ramalli, Barbara Pernici
Date: 2022-08-04 00:00:00

Social media have the potential to provide timely information about emergency situations and sudden events. However, finding relevant information among millions of posts being posted every day can be difficult, and developing a data analysis project usually requires time and technical skills. This study presents an approach that provides flexible support for analyzing social media, particularly during emergencies. Different use cases in which social media analysis can be adopted are introduced, and the challenges of retrieving information from large sets of posts are discussed. The focus is on analyzing images and text contained in social media posts and a set of automatic data processing tools for filtering, classification, and geolocation of content with a human-in-the-loop approach to support the data analyst. Such support includes both feedback and suggestions to configure automated tools, and crowdsourcing to gather inputs from citizens. The results are validated by discussing three case studies developed within the Crowd4SDG H2020 European project.
Reinforcement Learning for Joint V2I Network Selection and Autonomous Driving Policies
Authors: Zijiang Yan, Hina Tabassum
Date: 2022-08-03 00:00:00
Tasks: Autonomous Driving, Autonomous Vehicles, Decision Making, Q-Learning, reinforcement-learning, Reinforcement Learning (RL)

Vehicle-to-Infrastructure (V2I) communication is becoming critical for the enhanced reliability of autonomous vehicles (AVs). However, the uncertainties in the road-traffic and AVs' wireless connections can severely impair timely decision-making. It is thus critical to simultaneously optimize the AVs' network selection and driving policies in order to minimize road collisions while maximizing the communication data rates. In this paper, we develop a reinforcement learning (RL) framework to characterize efficient network selection and autonomous driving policies in a multi-band vehicular network (VNet) operating on conventional sub-6GHz spectrum and Terahertz (THz) frequencies. The proposed framework is designed to (i) maximize the traffic flow and minimize collisions by controlling the vehicle's motion dynamics (i.e., speed and acceleration) from autonomous driving perspective, and (ii) maximize the data rates and minimize handoffs by jointly controlling the vehicle's motion dynamics and network selection from telecommunication perspective. We cast this problem as a Markov Decision Process (MDP) and develop a deep Q-learning based solution to optimize the actions such as acceleration, deceleration, lane-changes, and AV-base station assignments for a given AV's state. The AV's state is defined based on the velocities and communication channel states of AVs. Numerical results demonstrate interesting insights related to the inter-dependency of vehicle's motion dynamics, handoffs, and the communication data rate. The proposed policies enable AVs to adopt safe driving behaviors with improved connectivity.
HiCu: Leveraging Hierarchy for Curriculum Learning in Automated ICD Coding
Authors: Weiming Ren, Ruijing Zeng, Tongzi Wu, Tianshu Zhu, Rahul G. Krishnan
Date: 2022-08-03 00:00:00
Tasks: Medical Code Prediction, Multi-Label Classification, MUlTI-LABEL-ClASSIFICATION

There are several opportunities for automation in healthcare that can improve clinician throughput. One such example is assistive tools to document diagnosis codes when clinicians write notes. We study the automation of medical code prediction using curriculum learning, which is a training strategy for machine learning models that gradually increases the hardness of the learning tasks from easy to difficult. One of the challenges in curriculum learning is the design of curricula -- i.e., in the sequential design of tasks that gradually increase in difficulty. We propose Hierarchical Curriculum Learning (HiCu), an algorithm that uses graph structure in the space of outputs to design curricula for multi-label classification. We create curricula for multi-label classification models that predict ICD diagnosis and procedure codes from natural language descriptions of patients. By leveraging the hierarchy of ICD codes, which groups diagnosis codes based on various organ systems in the human body, we find that our proposed curricula improve the generalization of neural network-based predictive models across recurrent, convolutional, and transformer-based architectures. Our code is available at https://github.com/wren93/HiCu-ICD.