Hasil untuk "machine learning"

R. Roscher, B. Bohn, Marco F. Duarte et al.

Machine learning methods have been remarkably successful for a wide range of application areas in the extraction of essential information from data. An exciting and relatively recent development is the uptake of machine learning in the natural sciences, where the major goal is to obtain novel scientific insights and discoveries from observational or simulated data. A prerequisite for obtaining a scientific outcome is domain knowledge, which is needed to gain explainability, but also to enhance scientific consistency. In this article, we review explainable machine learning in view of applications in the natural sciences and discuss three core elements that we identified as relevant in this context: transparency, interpretability, and explainability. With respect to these core elements, we provide a survey of recent scientific works that incorporate machine learning and the way that explainable machine learning is used in combination with domain knowledge from the application areas.

D. P. Möller

Now-a-days artificial intelligence has become an asset for engineering and experimental studies, just like statistics and calculus. Data science is a growing field for researchers and artificial intelligence, machine learning and deep learning are roots of it. This paper describes the relation between these roots of data science. There is a need of machine learning if any kind of analysis is to be performed. This study describes machine learning from the scratch. It also focuses on Deep Learning. Deep learning can also be known as new trend of machine learning. This paper gives a light on basic architecture of Deep learning. A comparative study of machine learning and deep learning is also given in the paper and allows researcher to have a broad view on these techniques so that they can understand which one will be preferable solution for a particular problem.

J. Wiens, S. Saria, M. Sendak et al.

F. Noé, A. Tkatchenko, K. Müller et al.

Machine learning (ML) is transforming all areas of science. The complex and time-consuming calculations in molecular simulations are particularly suitable for an ML revolution and have already been profoundly affected by the application of existing ML methods. Here we review recent ML methods for molecular simulation, with particular focus on (deep) neural networks for the prediction of quantum-mechanical energies and forces, on coarse-grained molecular dynamics, on the extraction of free energy surfaces and kinetics, and on generative network approaches to sample molecular equilibrium structures and compute thermodynamics. To explain these methods and illustrate open methodological problems, we review some important principles of molecular physics and describe how they can be incorporated into ML structures. Finally, we identify and describe a list of open challenges for the interface between ML and molecular simulation. Expected final online publication date for the Annual Review of Physical Chemistry, Volume 71 is April 20, 2020. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

Yunxing Zuo, Chi Chen, Xiang-Guo Li et al.

Machine learning of the quantitative relationship between local environment descriptors and the potential energy surface of a system of atoms has emerged as a new frontier in the development of interatomic potentials (IAPs). Here, we present a comprehensive evaluation of ML-IAPs based on four local environment descriptors --- atom-centered symmetry functions (ACSF), smooth overlap of atomic positions (SOAP), the Spectral Neighbor Analysis Potential (SNAP) bispectrum components, and moment tensors --- using a diverse data set generated using high-throughput density functional theory (DFT) calculations. The data set comprising bcc (Li, Mo) and fcc (Cu, Ni) metals and diamond group IV semiconductors (Si, Ge) is chosen to span a range of crystal structures and bonding. All descriptors studied show excellent performance in predicting energies and forces far surpassing that of classical IAPs, as well as predicting properties such as elastic constants and phonon dispersion curves. We observe a general trade-off between accuracy and the degrees of freedom of each model, and consequently computational cost. We will discuss these trade-offs in the context of model selection for molecular dynamics and other applications.

Susmita Ray

Machine learning is predominantly an area of Artificial Intelligence which has been a key component of digitalization solutions that has caught major attention in the digital arena. In this paper author intends to do a brief review of various machine learning algorithms which are most frequently used and therefore are the most popular ones. The author intends to highlight the merits and demerits of the machine learning algorithms from their application perspective to aid in an informed decision making towards selecting the appropriate learning algorithm to meet the specific requirement of the application.

Umang Bhatt, Alice Xiang, Shubham Sharma et al.

Explainable machine learning offers the potential to provide stakeholders with insights into model behavior by using various methods such as feature importance scores, counterfactual explanations, or influential training data. Yet there is little understanding of how organizations use these methods in practice. This study explores how organizations view and use explainability for stakeholder consumption. We find that, currently, the majority of deployments are not for end users affected by the model but rather for machine learning engineers, who use explainability to debug the model itself. There is thus a gap between explainability in practice and the goal of transparency, since explanations primarily serve internal stakeholders rather than external ones. Our study synthesizes the limitations of current explainability techniques that hamper their use for end users. To facilitate end user interaction, we develop a framework for establishing clear goals for explainability. We end by discussing concerns raised regarding explainability.

D. Michie, D. Spiegelhalter, Charles C. Taylor

Shiliang Sun, Zehui Cao, Han Zhu et al.

Machine learning develops rapidly, which has made many theoretical breakthroughs and is widely applied in various fields. Optimization, as an important part of machine learning, has attracted much attention of researchers. With the exponential growth of data amount and the increase of model complexity, optimization methods in machine learning face more and more challenges. A lot of work on solving optimization problems or improving optimization methods in machine learning has been proposed successively. The systematic retrospect and summary of the optimization methods from the perspective of machine learning are of great significance, which can offer guidance for both developments of optimization and machine learning research. In this article, we first describe the optimization problems in machine learning. Then, we introduce the principles and progresses of commonly used optimization methods. Finally, we explore and give some challenges and open problems for the optimization in machine learning.

Preeti Mishra, V. Varadharajan, U. Tupakula et al.

Intrusion detection is one of the important security problems in todays cyber world. A significant number of techniques have been developed which are based on machine learning approaches. However, they are not very successful in identifying all types of intrusions. In this paper, a detailed investigation and analysis of various machine learning techniques have been carried out for finding the cause of problems associated with various machine learning techniques in detecting intrusive activities. Attack classification and mapping of the attack features is provided corresponding to each attack. Issues which are related to detecting low-frequency attacks using network attack dataset are also discussed and viable methods are suggested for improvement. Machine learning techniques have been analyzed and compared in terms of their detection capability for detecting the various category of attacks. Limitations associated with each category of them are also discussed. Various data mining tools for machine learning have also been included in the paper. At the end, future directions are provided for attack detection using machine learning techniques.

I. Witten, E. Frank

G. Huang, Qin-Yu Zhu, C. Siew

Ming Yin, Jennifer Wortman Vaughan, Hanna M. Wallach

We address a relatively under-explored aspect of human-computer interaction: people's abilities to understand the relationship between a machine learning model's stated performance on held-out data and its expected performance post deployment. We conduct large-scale, randomized human-subject experiments to examine whether laypeople's trust in a model, measured in terms of both the frequency with which they revise their predictions to match those of the model and their self-reported levels of trust in the model, varies depending on the model's stated accuracy on held-out data and on its observed accuracy in practice. We find that people's trust in a model is affected by both its stated accuracy and its observed accuracy, and that the effect of stated accuracy can change depending on the observed accuracy. Our work relates to recent research on interpretable machine learning, but moves beyond the typical focus on model internals, exploring a different component of the machine learning pipeline.

B. Scholkopf

Graphical causal inference as pioneered by Judea Pearl arose from research on artificial intelligence (AI), and for a long time had little connection to the field of machine learning. This article discusses where links have been and should be established, introducing key concepts along the way. It argues that the hard open problems of machine learning and AI are intrinsically related to causality, and explains how the field is beginning to understand them.

Jun-feng Xie, F. Yu, Tao Huang et al.

In recent years, with the rapid development of current Internet and mobile communication technologies, the infrastructure, devices and resources in networking systems are becoming more complex and heterogeneous. In order to efficiently organize, manage, maintain and optimize networking systems, more intelligence needs to be deployed. However, due to the inherently distributed feature of traditional networks, machine learning techniques are hard to be applied and deployed to control and operate networks. Software defined networking (SDN) brings us new chances to provide intelligence inside the networks. The capabilities of SDN (e.g., logically centralized control, global view of the network, software-based traffic analysis, and dynamic updating of forwarding rules) make it easier to apply machine learning techniques. In this paper, we provide a comprehensive survey on the literature involving machine learning algorithms applied to SDN. First, the related works and background knowledge are introduced. Then, we present an overview of machine learning algorithms. In addition, we review how machine learning algorithms are applied in the realm of SDN, from the perspective of traffic classification, routing optimization, quality of service/quality of experience prediction, resource management and security. Finally, challenges and broader perspectives are discussed.

Zachary Wu, S. Kan, Russell D. Lewis et al.

Significance Proteins often function poorly when used outside their natural contexts; directed evolution can be used to engineer them to be more efficient in new roles. We propose that the expense of experimentally testing a large number of protein variants can be decreased and the outcome can be improved by incorporating machine learning with directed evolution. Simulations on an empirical fitness landscape demonstrate that the expected performance improvement is greater with this approach. Machine learning-assisted directed evolution from a single parent produced enzyme variants that selectively synthesize the enantiomeric products of a new-to-nature chemical transformation. By exploring multiple mutations simultaneously, machine learning efficiently navigates large regions of sequence space to identify improved proteins and also produces diverse solutions to engineering problems. To reduce experimental effort associated with directed protein evolution and to explore the sequence space encoded by mutating multiple positions simultaneously, we incorporate machine learning into the directed evolution workflow. Combinatorial sequence space can be quite expensive to sample experimentally, but machine-learning models trained on tested variants provide a fast method for testing sequence space computationally. We validated this approach on a large published empirical fitness landscape for human GB1 binding protein, demonstrating that machine learning-guided directed evolution finds variants with higher fitness than those found by other directed evolution approaches. We then provide an example application in evolving an enzyme to produce each of the two possible product enantiomers (i.e., stereodivergence) of a new-to-nature carbene Si–H insertion reaction. The approach predicted libraries enriched in functional enzymes and fixed seven mutations in two rounds of evolution to identify variants for selective catalysis with 93% and 79% ee (enantiomeric excess). By greatly increasing throughput with in silico modeling, machine learning enhances the quality and diversity of sequence solutions for a protein engineering problem.

M. G. Sarwar Murshed, Chris Murphy, Daqing Hou et al.

Resource-constrained IoT devices, such as sensors and actuators, have become ubiquitous in recent years. This has led to the generation of large quantities of data in real-time, which is an appealing target for AI systems. However, deploying machine learning models on such end-devices is nearly impossible. A typical solution involves offloading data to external computing systems (such as cloud servers) for further processing but this worsens latency, leads to increased communication costs, and adds to privacy concerns. To address this issue, efforts have been made to place additional computing devices at the edge of the network, i.e., close to the IoT devices where the data is generated. Deploying machine learning systems on such edge computing devices alleviates the above issues by allowing computations to be performed close to the data sources. This survey describes major research efforts where machine learning systems have been deployed at the edge of computer networks, focusing on the operational aspects including compression techniques, tools, frameworks, and hardware used in successful applications of intelligent edge systems.

Luke Oakden-Rayner, Jared A. Dunnmon, G. Carneiro et al.

Machine learning models for medical image analysis often suffer from poor performance on important subsets of a population that are not identified during training or testing. For example, overall performance of a cancer detection model may be high, but the model may still consistently miss a rare but aggressive cancer subtype. We refer to this problem as hidden stratification, and observe that it results from incompletely describing the meaningful variation in a dataset. While hidden stratification can substantially reduce the clinical efficacy of machine learning models, its effects remain difficult to measure. In this work, we assess the utility of several possible techniques for measuring hidden stratification effects, and characterize these effects both via synthetic experiments on the CIFAR-100 benchmark dataset and on multiple real-world medical imaging datasets. Using these measurement techniques, we find evidence that hidden stratification can occur in unidentified imaging subsets with low prevalence, low label quality, subtle distinguishing features, or spurious correlates, and that it can result in relative performance differences of over 20% on clinically important subsets. Finally, we discuss the clinical implications of our findings, and suggest that evaluation of hidden stratification should be a critical component of any machine learning deployment in medical imaging.

Joonnyung Heo, Jihoon G. Yoon, Hyungjong Park et al.

Background and Purpose— The prediction of long-term outcomes in ischemic stroke patients may be useful in treatment decisions. Machine learning techniques are being increasingly adapted for use in the medical field because of their high accuracy. This study investigated the applicability of machine learning techniques to predict long-term outcomes in ischemic stroke patients. Methods— This was a retrospective study using a prospective cohort that enrolled patients with acute ischemic stroke. Favorable outcome was defined as modified Rankin Scale score 0, 1, or 2 at 3 months. We developed 3 machine learning models (deep neural network, random forest, and logistic regression) and compared their predictability. To evaluate the accuracy of the machine learning models, we also compared them to the Acute Stroke Registry and Analysis of Lausanne (ASTRAL) score. Results— A total of 2604 patients were included in this study, and 2043 (78%) of them had favorable outcomes. The area under the curve for the deep neural network model was significantly higher than that of the ASTRAL score (0.888 versus 0.839; P<0.001), while the areas under the curves of the random forest (0.857; P=0.136) and logistic regression (0.849; P=0.413) models were not significantly higher than that of the ASTRAL score. Using only the 6 variables that are used for the ASTRAL score, the performance of the machine learning models did not significantly differ from that of the ASTRAL score. Conclusions— Machine learning algorithms, particularly the deep neural network, can improve the prediction of long-term outcomes in ischemic stroke patients.

E. Dada, Joseph Stephen Bassi, H. Chiroma et al.

The upsurge in the volume of unwanted emails called spam has created an intense need for the development of more dependable and robust antispam filters. Machine learning methods of recent are being used to successfully detect and filter spam emails. We present a systematic review of some of the popular machine learning based email spam filtering approaches. Our review covers survey of the important concepts, attempts, efficiency, and the research trend in spam filtering. The preliminary discussion in the study background examines the applications of machine learning techniques to the email spam filtering process of the leading internet service providers (ISPs) like Gmail, Yahoo and Outlook emails spam filters. Discussion on general email spam filtering process, and the various efforts by different researchers in combating spam through the use machine learning techniques was done. Our review compares the strengths and drawbacks of existing machine learning approaches and the open research problems in spam filtering. We recommended deep leaning and deep adversarial learning as the future techniques that can effectively handle the menace of spam emails.