arXiv subjects

Karthikeyan Natesan Ramamurthy

Publications and source records attributed to Karthikeyan Natesan Ramamurthy.

At least 55 records · Page 3Linked to original sources

arXiv2021

Optimized Score Transformation for Consistent Fair Classification

This paper considers fair probabilistic binary classification where the outputs of primary interest are predicted probabilities, commonly referred to as scores. We formulate the problem of transforming scores to satisfy fairness constraints that are linear in conditional means of scores while minimizing a cross-entropy objective. The formulation can be applied directly to post-process classifier outputs and we also explore a pre-processing extension, thus allowing maximum freedom in selecting a classification algorithm. We derive a closed-form expression for the optimal transformed scores and a convex optimization problem for the transformation parameters. In the population limit, the transformed score function is the fairness-constrained minimizer of cross-entropy with respect to the true conditional probability of the outcome. In the finite sample setting, we propose a method called FairScoreTransformer to approach this solution using a combination of standard probabilistic classifiers and ADMM. We provide several consistency and finite-sample guarantees for FairScoreTransformer, relating to the transformation parameters and transformed score function that it obtains. Comprehensive experiments comparing to 10 existing methods show that FairScoreTransformer has advantages for score-based metrics such as Brier score and AUC while remaining competitive for binary label-based metrics such as accuracy.

cs.LG↗

arXiv2021

Characterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics

Deep generative models are increasingly becoming integral parts of the in silico molecule design pipeline and have dual goals of learning the chemical and structural features that render candidate molecules viable while also being flexible enough to generate novel designs. Specifically, Variational Auto Encoders (VAEs) are generative models in which encoder-decoder network pairs are trained to reconstruct training data distributions in such a way that the latent space of the encoder network is smooth. Therefore, novel candidates can be found by sampling from this latent space. However, the scope of architectures and hyperparameters is vast and choosing the best combination for in silico discovery has important implications for downstream success. Therefore, it is important to develop a principled methodology for distinguishing how well a given generative model is able to learn salient molecular features. In this work, we propose a method for measuring how well the latent space of deep generative models is able to encode structural and chemical features of molecular datasets by correlating latent space metrics with metrics from the field of topological data analysis (TDA). We apply our evaluation methodology to a VAE trained on SMILES strings and show that 3D topology information is consistently encoded throughout the latent space of the model.

q-bio.BM↗

arXiv2021

Uncertainty Quantification 360: A Holistic Toolkit for Quantifying and Communicating the Uncertainty of AI

In this paper, we describe an open source Python toolkit named Uncertainty Quantification 360 (UQ360) for the uncertainty quantification of AI models. The goal of this toolkit is twofold: first, to provide a broad range of capabilities to streamline as well as foster the common practices of quantifying, evaluating, improving, and communicating uncertainty in the AI application development lifecycle; second, to encourage further exploration of UQ's connections to other pillars of trustworthy AI such as fairness and transparency through the dissemination of latest research and education materials. Beyond the Python package (\url{https://github.com/IBM/UQ360}), we have developed an interactive experience (\url{http://uq360.mybluemix.net}) and guidance materials as educational tools to aid researchers and developers in producing and communicating high-quality uncertainties in an effective manner.

cs.AI↗

arXiv2020

Estimating Shape Parameters of Piecewise Linear-Quadratic Problems

Piecewise Linear-Quadratic (PLQ) penalties are widely used to develop models in statistical inference, signal processing, and machine learning. Common examples of PLQ penalties include least squares, Huber, Vapnik, 1-norm, and their asymmetric generalizations. Properties of these estimators depend on the choice of penalty and its shape parameters, such as degree of asymmetry for the quantile loss, and transition point between linear and quadratic pieces for the Huber function. In this paper, we develop a statistical framework that can help the modeler to automatically tune shape parameters once the shape of the penalty has been chosen. The choice of the parameter is informed by the basic notion that each QS penalty should correspond to a true statistical density. The normalization constant inherent in this requirement helps to inform the optimization over shape parameters, giving a joint optimization problem over these as well as primary parameters of interest. A second contribution is to consider optimization methods for these joint problems. We show that basic first-order methods can be immediately brought to bear, and design specialized extensions of interior point (IP) methods for PLQ problems that can quickly and efficiently solve the joint problem. Synthetic problems and larger-scale practical examples illustrate the potential of the approach.

stat.ML↗

arXiv2020

Finding the Homology of Decision Boundaries with Active Learning

Accurately and efficiently characterizing the decision boundary of classifiers is important for problems related to model selection and meta-learning. Inspired by topological data analysis, the characterization of decision boundaries using their homology has recently emerged as a general and powerful tool. In this paper, we propose an active learning algorithm to recover the homology of decision boundaries. Our algorithm sequentially and adaptively selects which samples it requires the labels of. We theoretically analyze the proposed framework and show that the query complexity of our active learning algorithm depends naturally on the intrinsic complexity of the underlying manifold. We demonstrate the effectiveness of our framework in selecting best-performing machine learning models for datasets just using their respective homological summaries. Experiments on several standard datasets show the sample complexity improvement in recovering the homology and demonstrate the practical utility of the framework for model selection. Source code for our algorithms and experimental results is available at https://github.com/wayne0908/Active-Learning-Homology.

cs.LG↗

arXiv2020

Bridging Mode Connectivity in Loss Landscapes and Adversarial Robustness

Mode connectivity provides novel geometric insights on analyzing loss landscapes and enables building high-accuracy pathways between well-trained neural networks. In this work, we propose to employ mode connectivity in loss landscapes to study the adversarial robustness of deep neural networks, and provide novel methods for improving this robustness. Our experiments cover various types of adversarial attacks applied to different network architectures and datasets. When network models are tampered with backdoor or error-injection attacks, our results demonstrate that the path connection learned using limited amount of bonafide data can effectively mitigate adversarial effects while maintaining the original accuracy on clean data. Therefore, mode connectivity provides users with the power to repair backdoored or error-injected models. We also use mode connectivity to investigate the loss landscapes of regular and robust models against evasion attacks. Experiments show that there exists a barrier in adversarial robustness loss on the path connecting regular and adversarially-trained models. A high correlation is observed between the adversarial robustness loss and the largest eigenvalue of the input Hessian matrix, for which theoretical justifications are provided. Our results suggest that mode connectivity offers a holistic tool and practical means for evaluating and improving adversarial robustness.

cs.LG↗

arXiv2020

PI-Net: A Deep Learning Approach to Extract Topological Persistence Images

Topological features such as persistence diagrams and their functional approximations like persistence images (PIs) have been showing substantial promise for machine learning and computer vision applications. This is greatly attributed to the robustness topological representations provide against different types of physical nuisance variables seen in real-world data, such as view-point, illumination, and more. However, key bottlenecks to their large scale adoption are computational expenditure and difficulty incorporating them in a differentiable architecture. We take an important step in this paper to mitigate these bottlenecks by proposing a novel one-step approach to generate PIs directly from the input data. We design two separate convolutional neural network architectures, one designed to take in multi-variate time series signals as input and another that accepts multi-channel images as input. We call these networks Signal PI-Net and Image PI-Net respectively. To the best of our knowledge, we are the first to propose the use of deep learning for computing topological features directly from data. We explore the use of the proposed PI-Net architectures on two applications: human activity recognition using tri-axial accelerometer sensor data and image classification. We demonstrate the ease of fusion of PIs in supervised deep learning architectures and speed up of several orders of magnitude for extracting PIs from data. Our code is available at https://github.com/anirudhsom/PI-Net.

cs.CV↗

arXiv2020

Crowd Counting with Decomposed Uncertainty

Research in neural networks in the field of computer vision has achieved remarkable accuracy for point estimation. However, the uncertainty in the estimation is rarely addressed. Uncertainty quantification accompanied by point estimation can lead to a more informed decision, and even improve the prediction quality. In this work, we focus on uncertainty estimation in the domain of crowd counting. With increasing occurrences of heavily crowded events such as political rallies, protests, concerts, etc., automated crowd analysis is becoming an increasingly crucial task. The stakes can be very high in many of these real-world applications. We propose a scalable neural network framework with quantification of decomposed uncertainty using a bootstrap ensemble. We demonstrate that the proposed uncertainty quantification method provides additional insight to the crowd counting problem and is simple to implement. We also show that our proposed method exhibits the state of the art performances in many benchmark crowd counting datasets.

cs.CV↗

arXiv2020

Model Agnostic Multilevel Explanations

In recent years, post-hoc local instance-level and global dataset-level explainability of black-box models has received a lot of attention. Much less attention has been given to obtaining insights at intermediate or group levels, which is a need outlined in recent works that study the challenges in realizing the guidelines in the General Data Protection Regulation (GDPR). In this paper, we propose a meta-method that, given a typical local explainability method, can build a multilevel explanation tree. The leaves of this tree correspond to the local explanations, the root corresponds to the global explanation, and intermediate levels correspond to explanations for groups of data points that it automatically clusters. The method can also leverage side information, where users can specify points for which they may want the explanations to be similar. We argue that such a multilevel structure can also be an effective form of communication, where one could obtain few explanations that characterize the entire dataset by considering an appropriate level in our explanation tree. Explanations for novel test points can be cost-efficiently obtained by associating them with the closest training points. When the local explainability technique is generalized additive (viz. LIME, GAMs), we develop a fast approximate algorithm for building the multilevel tree and study its convergence behavior. We validate the effectiveness of the proposed technique based on two human studies -- one with experts and the other with non-expert users -- on real world datasets, and show that we produce high fidelity sparse explanations on several other public datasets.

cs.LG↗

arXiv2019

Drug Repurposing for Cancer: An NLP Approach to Identify Low-Cost Therapies

More than 200 generic drugs approved by the U.S. Food and Drug Administration for non-cancer indications have shown promise for treating cancer. Due to their long history of safe patient use, low cost, and widespread availability, repurposing of generic drugs represents a major opportunity to rapidly improve outcomes for cancer patients and reduce healthcare costs worldwide. Evidence on the efficacy of non-cancer generic drugs being tested for cancer exists in scientific publications, but trying to manually identify and extract such evidence is intractable. In this paper, we introduce a system to automate this evidence extraction from PubMed abstracts. Our primary contribution is to define the natural language processing pipeline required to obtain such evidence, comprising the following modules: querying, filtering, cancer type entity extraction, therapeutic association classification, and study type classification. Using the subject matter expertise on our team, we create our own datasets for these specialized domain-specific tasks. We obtain promising performance in each of the modules by utilizing modern language modeling techniques and plan to treat them as baseline approaches for future improvement of individual components.

cs.CL↗

arXiv2019

Understanding racial bias in health using the Medical Expenditure Panel Survey data

Over the years, several studies have demonstrated that there exist significant disparities in health indicators in the United States population across various groups. Healthcare expense is used as a proxy for health in algorithms that drive healthcare systems and this exacerbates the existing bias. In this work, we focus on the presence of racial bias in health indicators in the publicly available, and nationally representative Medical Expenditure Panel Survey (MEPS) data. We show that predictive models for care management trained using this data inherit this bias. Finally, we demonstrate that this inherited bias can be reduced significantly using simple mitigation techniques.

cs.LG↗

arXiv2019

TED: Teaching AI to Explain its Decisions

Artificial intelligence systems are being increasingly deployed due to their potential to increase the efficiency, scale, consistency, fairness, and accuracy of decisions. However, as many of these systems are opaque in their operation, there is a growing demand for such systems to provide explanations for their decisions. Conventional approaches to this problem attempt to expose or discover the inner workings of a machine learning model with the hope that the resulting explanations will be meaningful to the consumer. In contrast, this paper suggests a new approach to this problem. It introduces a simple, practical framework, called Teaching Explanations for Decisions (TED), that provides meaningful explanations that match the mental model of the consumer. We illustrate the generality and effectiveness of this approach with two different examples, resulting in highly accurate explanations with no loss of prediction accuracy for these two examples.

cs.AI↗

arXiv2019

Teaching AI to Explain its Decisions Using Embeddings and Multi-Task Learning

Using machine learning in high-stakes applications often requires predictions to be accompanied by explanations comprehensible to the domain user, who has ultimate responsibility for decisions and outcomes. Recently, a new framework for providing explanations, called TED, has been proposed to provide meaningful explanations for predictions. This framework augments training data to include explanations elicited from domain users, in addition to features and labels. This approach ensures that explanations for predictions are tailored to the complexity expectations and domain knowledge of the consumer. In this paper, we build on this foundational work, by exploring more sophisticated instantiations of the TED framework and empirically evaluate their effectiveness in two diverse domains, chemical odor and skin cancer prediction. Results demonstrate that meaningful explanations can be reliably taught to machine learning algorithms, and in some cases, improving modeling accuracy.

cs.LG↗

arXiv2019

Counting and Segmenting Sorghum Heads

Phenotyping is the process of measuring an organism's observable traits. Manual phenotyping of crops is a labor-intensive, time-consuming, costly, and error prone process. Accurate, automated, high-throughput phenotyping can relieve a huge burden in the crop breeding pipeline. In this paper, we propose a scalable, high-throughput approach to automatically count and segment panicles (heads), a key phenotype, from aerial sorghum crop imagery. Our counting approach uses the image density map obtained from dot or region annotation as the target with a novel deep convolutional neural network architecture. We also propose a novel instance segmentation algorithm using the estimated density map, to identify the individual panicles in the presence of occlusion. With real Sorghum aerial images, we obtain a mean absolute error (MAE) of 1.06 for counting which is better than using well-known crowd counting approaches such as CCNN, MCNN and CSRNet models. The instance segmentation model also produces respectable results which will be ultimately useful in reducing the manual annotation workload for future data.

cs.CV↗

arXiv2019

FactSheets: Increasing Trust in AI Services through Supplier's Declarations of Conformity

Accuracy is an important concern for suppliers of artificial intelligence (AI) services, but considerations beyond accuracy, such as safety (which includes fairness and explainability), security, and provenance, are also critical elements to engender consumers' trust in a service. Many industries use transparent, standardized, but often not legally required documents called supplier's declarations of conformity (SDoCs) to describe the lineage of a product along with the safety and performance testing it has undergone. SDoCs may be considered multi-dimensional fact sheets that capture and quantify various aspects of the product and its development to make it worthy of consumers' trust. Inspired by this practice, we propose FactSheets to help increase trust in AI services. We envision such documents to contain purpose, performance, safety, security, and provenance information to be completed by AI service providers for examination by consumers. We suggest a comprehensive set of declaration items tailored to AI and provide examples for two fictitious AI services in the appendix of the paper.

cs.CY↗

arXiv2018

Bias Mitigation Post-processing for Individual and Group Fairness

Whereas previous post-processing approaches for increasing the fairness of predictions of biased classifiers address only group fairness, we propose a method for increasing both individual and group fairness. Our novel framework includes an individual bias detector used to prioritize data samples in a bias mitigation algorithm aiming to improve the group fairness measure of disparate impact. We show superior performance to previous work in the combination of classification accuracy, individual fairness and group fairness on several real-world datasets in applications such as credit, employment, and criminal justice.

cs.LG↗

arXiv2018

AI Fairness 360: An Extensible Toolkit for Detecting, Understanding, and Mitigating Unwanted Algorithmic Bias

Fairness is an increasingly important concern as machine learning models are used to support decision making in high-stakes applications such as mortgage lending, hiring, and prison sentencing. This paper introduces a new open source Python toolkit for algorithmic fairness, AI Fairness 360 (AIF360), released under an Apache v2.0 license {https://github.com/ibm/aif360). The main objectives of this toolkit are to help facilitate the transition of fairness research algorithms to use in an industrial setting and to provide a common framework for fairness researchers to share and evaluate algorithms. The package includes a comprehensive set of fairness metrics for datasets and models, explanations for these metrics, and algorithms to mitigate bias in datasets and models. It also includes an interactive Web experience (https://aif360.mybluemix.net) that provides a gentle introduction to the concepts and capabilities for line-of-business users, as well as extensive documentation, usage guidance, and industry-specific tutorials to enable data scientists and practitioners to incorporate the most appropriate tool for their problem into their work products. The architecture of the package has been engineered to conform to a standard paradigm used in data science, thereby further improving usability for practitioners. Such architectural design and abstractions enable researchers and developers to extend the toolkit with their new algorithms and improvements, and to use it for performance benchmarking. A built-in testing infrastructure maintains code quality.

cs.AI↗

arXiv2018

Teaching Meaningful Explanations

The adoption of machine learning in high-stakes applications such as healthcare and law has lagged in part because predictions are not accompanied by explanations comprehensible to the domain user, who often holds the ultimate responsibility for decisions and outcomes. In this paper, we propose an approach to generate such explanations in which training data is augmented to include, in addition to features and labels, explanations elicited from domain users. A joint model is then learned to produce both labels and explanations from the input features. This simple idea ensures that explanations are tailored to the complexity expectations and domain knowledge of the consumer. Evaluation spans multiple modeling techniques on a game dataset, a (visual) aesthetics dataset, a chemical odor dataset and a Melanoma dataset showing that our approach is generalizable across domains and algorithms. Results demonstrate that meaningful explanations can be reliably taught to machine learning algorithms, and in some cases, also improve modeling accuracy.

cs.AI↗