A Survey on Explainable Artificial Intelligence (XAI): Toward Medical XAI
Erico Tjoa, Cuntai Guan
Recently, artificial intelligence and machine learning in general have demonstrated remarkable performances in many tasks, from image processing to natural language processing, especially with the advent of deep learning (DL). Along with research progress, they have encroached upon many different fields and disciplines. Some of them require high level of accountability and thus transparency, for example, the medical sector. Explanations for machine decisions and predictions are thus needed to justify their reliability. This requires greater interpretability, which often means we need to understand the mechanism underlying the algorithms. Unfortunately, the blackbox nature of the DL is still unresolved, and many machine decisions are still poorly understood. We provide a review on interpretabilities suggested by different research works and categorize them. The different categories show different dimensions in interpretability research, from approaches that provide “obviously” interpretable information to the studies of complex patterns. By applying the same categorization to interpretability in medical research, it is hoped that: 1) clinicians and practitioners can subsequently approach these methods with caution; 2) insight into interpretability will be born with more considerations for medical practices; and 3) initiatives to push forward data-based, mathematically grounded, and technically grounded medical education are encouraged.
1897 sitasi
en
Computer Science, Medicine
Convolutional Neural Network
M. Véstias
Machine learning is the study of algorithms and models for computing systems to do tasks based on pattern identification and inference. When it is difficult or infeasible to develop an algorithm to do a particular task, machine learning algorithms can provide an output based on previous training data. A well-known machine learning model is deep learning. The most recent deep learning models are based on artificial neural networks (ANN). There exist several types of artificial neural networks including the feedforward neural network, the Kohonen self-organizing neural network, the recurrent neural network, the convolutional neural network, the modular neural network, among others. This article focuses on convolutional neural networks with a description of the model, the training and inference processes and its applicability. It will also give an overview of the most used CNN models and what to expect from the next generation of CNN models.
946 sitasi
en
Computer Science
A Comparison of ARIMA and LSTM in Forecasting Time Series
Sima Siami‐Namini, Neda Tavakoli, A. Namin
Forecasting time series data is an important subject in economics, business, and finance. Traditionally, there are several techniques to effectively forecast the next lag of time series data such as univariate Autoregressive (AR), univariate Moving Average (MA), Simple Exponential Smoothing (SES), and more notably Autoregressive Integrated Moving Average (ARIMA) with its many variations. In particular, ARIMA model has demonstrated its outperformance in precision and accuracy of predicting the next lags of time series. With the recent advancement in computational power of computers and more importantly development of more advanced machine learning algorithms and approaches such as deep learning, new algorithms are developed to analyze and forecast time series data. The research question investigated in this article is that whether and how the newly developed deep learning-based algorithms for forecasting time series data, such as "Long Short-Term Memory (LSTM)", are superior to the traditional algorithms. The empirical studies conducted and reported in this article show that deep learning-based algorithms such as LSTM outperform traditional-based algorithms such as ARIMA model. More specifically, the average reduction in error rates obtained by LSTM was between 84 - 87 percent when compared to ARIMA indicating the superiority of LSTM to ARIMA. Furthermore, it was noticed that the number of training times, known as "epoch" in deep learning, had no effect on the performance of the trained forecast model and it exhibited a truly random behavior.
1022 sitasi
en
Computer Science
Hyperparameter optimization: Foundations, algorithms, best practices, and open challenges
B. Bischl, Martin Binder, Michel Lang
et al.
Most machine learning algorithms are configured by a set of hyperparameters whose values must be carefully chosen and which often considerably impact performance. To avoid a time‐consuming and irreproducible manual process of trial‐and‐error to find well‐performing hyperparameter configurations, various automatic hyperparameter optimization (HPO) methods—for example, based on resampling error estimation for supervised machine learning—can be employed. After introducing HPO from a general perspective, this paper reviews important HPO methods, from simple techniques such as grid or random search to more advanced methods like evolution strategies, Bayesian optimization, Hyperband, and racing. This work gives practical recommendations regarding important choices to be made when conducting HPO, including the HPO algorithms themselves, performance evaluation, how to combine HPO with machine learning pipelines, runtime improvements, and parallelization.
856 sitasi
en
Computer Science, Mathematics
Quantum-chemical insights from deep tensor neural networks
Kristof T. Schütt, F. Arbabzadah, Stefan Chmiela
et al.
Learning from data has led to paradigm shifts in a multitude of disciplines, including web, text and image search, speech recognition, as well as bioinformatics. Can machine learning enable similar breakthroughs in understanding quantum many-body systems? Here we develop an efficient deep learning approach that enables spatially and chemically resolved insights into quantum-mechanical observables of molecular systems. We unify concepts from many-body Hamiltonians with purpose-designed deep tensor neural networks, which leads to size-extensive and uniformly accurate (1 kcal mol−1) predictions in compositional and configurational chemical space for molecules of intermediate size. As an example of chemical relevance, the model reveals a classification of aromatic rings with respect to their stability. Further applications of our model for predicting atomic energies and local chemical potentials in molecules, reliable isomer energies, and molecules with peculiar electronic structure demonstrate the potential of machine learning for revealing insights into complex quantum-chemical systems. Machine learning is an increasingly popular approach to analyse data and make predictions. Here the authors develop a ‘deep learning’ framework for quantitative predictions and qualitative understanding of quantum-mechanical observables of chemical systems, beyond properties trivially contained in the training data.
1397 sitasi
en
Medicine, Physics
Convolutional Pose Machines
S. Wei, V. Ramakrishna, T. Kanade
et al.
Pose Machines provide a sequential prediction framework for learning rich implicit spatial models. In this work we show a systematic design for how convolutional networks can be incorporated into the pose machine framework for learning image features and image-dependent spatial models for the task of pose estimation. The contribution of this paper is to implicitly model long-range dependencies between variables in structured prediction tasks such as articulated pose estimation. We achieve this by designing a sequential architecture composed of convolutional networks that directly operate on belief maps from previous stages, producing increasingly refined estimates for part locations, without the need for explicit graphical model-style inference. Our approach addresses the characteristic difficulty of vanishing gradients during training by providing a natural learning objective function that enforces intermediate supervision, thereby replenishing back-propagated gradients and conditioning the learning procedure. We demonstrate state-of-the-art performance and outperform competing methods on standard benchmarks including the MPII, LSP, and FLIC datasets.
2894 sitasi
en
Computer Science
Semantics derived automatically from language corpora contain human-like biases
Aylin Caliskan, J. Bryson, Arvind Narayanan
Machines learn what people know implicitly AlphaGo has demonstrated that a machine can learn how to do things that people spend many years of concentrated study learning, and it can rapidly learn how to do them better than any human can. Caliskan et al. now show that machines can learn word associations from written texts and that these associations mirror those learned by humans, as measured by the Implicit Association Test (IAT) (see the Perspective by Greenwald). Why does this matter? Because the IAT has predictive value in uncovering the association between concepts, such as pleasantness and flowers or unpleasantness and insects. It can also tease out attitudes and beliefs—for example, associations between female names and family or male names and career. Such biases may not be expressed explicitly, yet they can prove influential in behavior. Science, this issue p. 183; see also p. 133 Computers can learn which words go together more or less often and can thus mimic human performance on a test of implicit bias. Machine learning is a means to derive artificial intelligence by discovering patterns in existing data. Here, we show that applying machine learning to ordinary human language results in human-like semantic biases. We replicated a spectrum of known biases, as measured by the Implicit Association Test, using a widely used, purely statistical machine-learning model trained on a standard corpus of text from the World Wide Web. Our results indicate that text corpora contain recoverable and accurate imprints of our historic biases, whether morally neutral as toward insects or flowers, problematic as toward race or gender, or even simply veridical, reflecting the status quo distribution of gender with respect to careers or first names. Our methods hold promise for identifying and addressing sources of bias in culture, including technology.
3055 sitasi
en
Computer Science, Medicine
ALVINN, an autonomous land vehicle in a neural network
D. Pomerleau
Neural Network Methods for Natural Language Processing
Yoav Goldberg
Neural networks are a family of powerful machine learning models. This book focuses on the application of neural network models to natural language data. The first half of the book (Parts I and II) covers the basics of supervised machine learning and feed-forward neural networks, the basics of working with machine learning over language data, and the use of vector-based rather than symbolic representations for words. It also covers the computation-graph abstraction, which allows to easily define and train arbitrary neural networks, and is the basis behind the design of contemporary neural network software libraries. The second part of the book (Parts III and IV) introduces more specialized neural network architectures, including 1D convolutional neural networks, recurrent neural networks, conditioned-generation models, and attention-based models. These architectures and techniques are the driving force behind state-of-the-art algorithms for machine translation, syntactic parsing, and many other applications. Finally, we also discuss tree-shaped networks, structured prediction, and the prospects of multi-task learning.
813 sitasi
en
Computer Science
On Over-fitting in Model Selection and Subsequent Selection Bias in Performance Evaluation
G. Cawley, N. L. C. Talbot
2206 sitasi
en
Computer Science
Rectified Linear Units Improve Restricted Boltzmann Machines
Vinod Nair, Geoffrey E. Hinton
18561 sitasi
en
Mathematics, Computer Science
Clipper: A Low-Latency Online Prediction Serving System
D. Crankshaw, Xin Wang, Giulio Zhou
et al.
Machine learning is being deployed in a growing number of applications which demand real-time, accurate, and robust predictions under heavy query load. However, most machine learning frameworks and systems only address model training and not deployment. In this paper, we introduce Clipper, a general-purpose low-latency prediction serving system. Interposing between end-user applications and a wide range of machine learning frameworks, Clipper introduces a modular architecture to simplify model deployment across frameworks and applications. Furthermore, by introducing caching, batching, and adaptive model selection techniques, Clipper reduces prediction latency and improves prediction throughput, accuracy, and robustness without modifying the underlying machine learning frameworks. We evaluate Clipper on four common machine learning benchmark datasets and demonstrate its ability to meet the latency, accuracy, and throughput demands of online serving applications. Finally, we compare Clipper to the TensorFlow Serving system and demonstrate that we are able to achieve comparable throughput and latency while enabling model composition and online learning to improve accuracy and render more robust predictions.
790 sitasi
en
Computer Science
Persistence Images: A Stable Vector Representation of Persistent Homology
Henry Adams, T. Emerson, M. Kirby
et al.
Many datasets can be viewed as a noisy sampling of an underlying space, and tools from topological data analysis can characterize this structure for the purpose of knowledge discovery. One such tool is persistent homology, which provides a multiscale description of the homological features within a dataset. A useful representation of this homological information is a persistence diagram (PD). Efforts have been made to map PDs into spaces with additional structure valuable to machine learning tasks. We convert a PD to a finite-dimensional vector representation which we call a persistence image (PI), and prove the stability of this transformation with respect to small perturbations in the inputs. The discriminatory power of PIs is compared against existing methods, showing significant performance gains. We explore the use of PIs with vector-based machine learning tools, such as linear sparse support vector machines, which identify features containing discriminating topological information. Finally, high accuracy inference of parameter values from the dynamic output of a discrete dynamical system (the linked twist map) and a partial differential equation (the anisotropic Kuramoto-Sivashinsky equation) provide a novel application of the discriminatory power of PIs.
813 sitasi
en
Mathematics, Computer Science
Support-Vector Networks
Corinna Cortes, V. Vapnik
44341 sitasi
en
Computer Science
Solving large scale linear prediction problems using stochastic gradient descent algorithms
Tong Zhang
1241 sitasi
en
Computer Science, Mathematics
Very Simple Classification Rules Perform Well on Most Commonly Used Datasets
R. Holte
1836 sitasi
en
Computer Science
Images of Organization
J. Alexander, G. Morgan
6856 sitasi
en
Medicine, Psychology
An Introduction to Variational Methods for Graphical Models
Michael I. Jordan, Zoubin Ghahramani, T. Jaakkola
et al.
4644 sitasi
en
Computer Science, Mathematics
Less is More: Active Learning with Support Vector Machines
Greg Schohn, David A. Cohn
983 sitasi
en
Computer Science
Leveraging large language models for predictive chemistry
K. Jablonka, P. Schwaller, Andres Ortega‐Guerrero
et al.
Machine learning has transformed many fields and has recently found applications in chemistry and materials science. The small datasets commonly found in chemistry sparked the development of sophisticated machine learning approaches that incorporate chemical knowledge for each application and, therefore, require specialized expertise to develop. Here we show that GPT-3, a large language model trained on vast amounts of text extracted from the Internet, can easily be adapted to solve various tasks in chemistry and materials science by fine-tuning it to answer chemical questions in natural language with the correct answer. We compared this approach with dedicated machine learning models for many applications spanning the properties of molecules and materials to the yield of chemical reactions. Surprisingly, our fine-tuned version of GPT-3 can perform comparably to or even outperform conventional machine learning techniques, in particular in the low-data limit. In addition, we can perform inverse design by simply inverting the questions. The ease of use and high performance, especially for small datasets, can impact the fundamental approach to using machine learning in the chemical and material sciences. In addition to a literature search, querying a pre-trained large language model might become a routine way to bootstrap a project by leveraging the collective knowledge encoded in these foundation models, or to provide a baseline for predictive tasks. Machine learning techniques are widely employed in chemical science, but are application specific and their development requires dedicated expertise. Jablonka and colleagues fine-tune the GPT-3 model and show that it can provide surprisingly accurate answers to a wide range of chemical questions.
347 sitasi
en
Computer Science