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Upcoming Seminars
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Mar.
26: Statistical Learning of Reduced Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics19: On analyzing urban form at global scale with remote sensing data and generative adversarial networks
Date:
FebMar.
2619, 3pm
Speaker:
Qian Yang (Stanford)Complex chemical processes, such as the decomposition of energetic materials and the chemistry of planetary interiors, are typically studied using large-scale molecular dynamics simulations that can run for weeks on high performance parallel machines. These computations may involve thousands of atoms forming hundreds of molecular species and undergoing thousands of reactions. It is natural to wonder whether this wealth of data can be utilized to build more efficient, interpretable, and predictive models of complex chemistry. In this talk, we will use techniques from statistical learning to develop a framework for constructing Kinetic Monte Carlo (KMC) models from molecular dynamics data. We will show that our KMC models can not only extrapolate the behavior of the chemical system by as much as an order of magnitude in time, but can also be used to study the dynamics of entirely different chemical trajectories with a high degree of fidelity. Then, we will discuss a new and efficient data-driven method using L1-regularization for automatically reducing our learned KMC models from thousands of reactions to a smaller subset that effectively reproduces the dynamics of interest.
Mar. 19: On analyzing urban form at global scale with remote sensing data and generative adversarial networks
Date: Mar. 19, 3pm
Speaker: Adrian Albert
Abstract: Current analyses of urban development use either simple, bottom-up models, that have limited predictive performance, or highly engineered, complex models relying on many sources of survey data that are typically scarce and difficult and expensive to collect. This talk presents work-in-progress developing a data-driven, flexible, non-parametric framework to simulate realistic urban forms using generative adversarial networks and planetary-level remote-sensing data. To train our urban simulator, we curate and put forth a new dataset on urban form, integrating spatial distribution maps of population, nighttime luminosity, and built land densities, as well as best-available information on city administrative boundaries for 30,000 of the world's largest cities. This is the first analysis to date of urban form using modern generative models and remote-sensing data.
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Adrian Albert
Abstract: Current analyses of urban development use either simple, bottom-up models, that have limited predictive performance, or highly engineered, complex models relying on many sources of survey data that are typically scarce and difficult and expensive to collect. This talk presents work-in-progress developing a data-driven, flexible, non-parametric framework to simulate realistic urban forms using generative adversarial networks and planetary-level remote-sensing data. To train our urban simulator, we curate and put forth a new dataset on urban form, integrating spatial distribution maps of population, nighttime luminosity, and built land densities, as well as best-available information on city administrative boundaries for 30,000 of the world's largest cities. This is the first analysis to date of urban form using modern generative models and remote-sensing data.
Past Seminars
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Statistical Learning of Reduced Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics
Date: Feb. 26, 3pm
Speaker: Qian Yang (Stanford)
Complex chemical processes, such as the decomposition of energetic materials and the chemistry of planetary interiors, are typically studied using large-scale molecular dynamics simulations that can run for weeks on high performance parallel machines. These computations may involve thousands of atoms forming hundreds of molecular species and undergoing thousands of reactions. It is natural to wonder whether this wealth of data can be utilized to build more efficient, interpretable, and predictive models of complex chemistry. In this talk, we will use techniques from statistical learning to develop a framework for constructing Kinetic Monte Carlo (KMC) models from molecular dynamics data. We will show that our KMC models can not only extrapolate the behavior of the chemical system by as much as an order of magnitude in time, but can also be used to study the dynamics of entirely different chemical trajectories with a high degree of fidelity. Then, we will discuss a new and efficient data-driven method using L1-regularization for automatically reducing our learned KMC models from thousands of reactions to a smaller subset that effectively reproduces the dynamics of interest.
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Machine Learning for Jet Physics at the Large Hadron Collider
Date: February 12, 3pm
Speaker: Ben Nachman (CERN)View file | ||||
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Date: Wednesday Jan. 24, 3pm-5pm in Mammoth B53-3036 (Note time and place!)
Speaker: Kazuhiro TeraoView file | ||||
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In situ visualization with task-based parallelism
Date: Nov. 27, 3pm
Speaker: Alan Heirich
Abstract: This short paper describes an experimental prototype of in situ visualization in a task-based parallel programming framework. A set of reusable visualization tasks were composed with an existing simulation. The visualization tasks include a local OpenGL renderer, a parallel image compositor, and a display task. These tasks were added to an existing fluid-particle-radiation simulation and weak scaling tests were run on up to 512 nodes of the Piz Daint supercomputer. Benchmarks showed that the visualization components scaled and did not reduce the simulation throughput. The compositor latency increased logarithmically with increasing node count.
Data Reconstruction Using Deep Neural Networks for Liquid Argon Time Projection Chamber Detectors
Date: Oct. 16, 3pm
Speaker: Kazuhiro Terao
Deep neural networks (DNNs) have found a vast number of applications ranging from automated human face recognition, real-time object detection for self-driving cars, teaching a robot Chinese, and even playing Go. In this talk, I present our first steps in exploring the use of DNNs to the task of analyzing neutrino events coming from Liquid Argon Time Projection Chambers (LArTPC), in particular the MicroBooNE detector. LArTPCs consist of a large volume of liquid argon sandwiched between a cathode and anode wire planes. These detectors are capable of recording images of charged particle tracks with breathtaking resolution. Such detailed information will allow LArTPCs to perform accurate particle identification and calorimetry, making it the detector of choice for many current and future neutrino experiments. However, analyzing such images can be challenging, requiring the development of many algorithms to identify and assemble features of the events in order to identify and remove cosmic-ray-induced particles and reconstruct neutrino interactions. This talk shows the current status of DNN applications and our future direction.
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Towards a cosmology emulator using Generative Adversarial Networks
Date: Oct 3, 2pm
Speaker: Mustafa Mustafa
The application of deep learning techniques to generative modeling is renewing interest in using high dimensional density estimators as computationally inexpensive emulators of fully-fledged simulations. These generative models have the potential to make a dramatic shift in the field of scientific simulations, but for that shift to happen we need to study the performance of such generators in the precision regime needed for science applications. To this end, in this talk we apply Generative Adversarial Networks to the problem of generating cosmological weak lensing convergence maps. We show that our generator network produces maps that are described by, with high statistical confidence, the same summary statistics as the fully simulated maps.
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Optimal Segmentation with Pruned Dynamic Programming
Date: Sept. 12, 2pm
Speaker: Jeffrey Scargle (NASA )
Bayesian Blocks (1207.5578) is an O(N**2) dynamic programming algorithm to compute exact global optimal segmentations of sequential data of arbitrary mode and dimensionality. Multivariate data, generalized block shapes, and higher dimensional data are easily treated. Incorporating a simple pruning method yields a (still exact) O(N) algorithm allowing fast analysis of series of ~100M data points. Sample applications include analysis of X- and gamma-ray time series, identification of GC-islands in the human genome, data-adaptive triggers and histograms, and elucidating the Cosmic Web from 3D galaxy redshift data.
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Fast automated analysis of strong gravitational lenses with convolutional neural networks
Date: Sept. 12, 2pm
Speaker: Yashar Hezaveh
Strong gravitational lensing is a phenomenon in which the image of a distant galaxy appears highly distorted due to the deflection of its light rays by the gravity of a more nearby, intervening galaxy. We often see multiple distinct arc-shaped images of the background galaxy around the intervening (lens) galaxy, just like images in a funhouse mirror. Strong lensing gives astrophysicist a unique opportunity to carry out different investigations, including mapping the detailed distribution of dark matter, or measuring the expansion rate of the universe. All these great sciences, however, require a detailed knowledge of the distribution of matter in the lensing galaxies, measured from the distortions in the images. This has been traditionally performed with maximum-likelihood lens modeling, a procedure in which simulated observations are generated and compared to the data in a statistical way. The parameters controlling the simulations are then explored with samplers like MCMC. This is a time and resource consuming procedure, requiring hundreds of hours of computer and human time for a single system. In this talk, I will discuss our recent work in which we showed that deep convolutional neural networks can solve this problem more than 10 million times faster: about 0.01 seconds per system on a single GPU. I will also review our method for quantifying the uncertainties of the parameters obtained with these networks. With the advent of upcoming sky surveys such as the Large Synoptic Survey Telescope, we are anticipating the discovery of tens of thousands of new gravitational lenses. Neural networks can be an essential tool for the analysis of such high volumes of data.
MacroBase: A Search Engine for Fast Data Streams
Date: Sept. 5, 2pm
Speaker: Sahaana Suri (Stanford)
While data volumes generated by sensors, automated process, and application telemetry continue to rise, the capacity of human attention remains limited. To harness the potential of these large scale data streams, machines must step in by processing, aggregating, and contextualizing significant behaviors within these data streams. This talk will describe progress towards achieving this goal via MacroBase, a new analytics engine for prioritizing attention in this large-scale "fast data" that has begun to deliver results in several production environments. Key to this progress are new methods for constructing cascades of analytic operators for classification, aggregation, and high-dimensional feature selection; when combined, these cascades yield new opportunities for dramatic scalability improvements via end-to-end optimization for streams spanning time-series, video, and structured data. MacroBase is a core component of the Stanford DAWN project (http://dawn.cs.stanford.edu/), a new research initiative designed to enable more usable and efficient machine learning infrastructure.
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Object-Centric Machine Learning
Date: Aug. 29, 2pm
Speaker: Leo Guibas (Stanford)
Deep knowledge of the world is necessary if we are to have autonomous and intelligent agents and artifacts that can assist us in everyday activities, or even carry out tasks entirely independently. One way to factorize the complexity of the world is to associate information and knowledge with stable entities, animate or inanimate, such as persons or vehicles, etc -- what we generally refer to as "objects."
In this talk I'll survey a number of recent efforts whose aim is to create and annotate reference representations for (inanimate) objects based on 3D models with the aim of delivering such information to new observations, as needed. In this object-centric view, the goal is to learn about object geometry, appearance, articulation, materials, physical properties, affordances, and functionality. We acquire such information in a multitude of ways, both from crowd-sourcing and from establishing direct links between models and signals, such as images, videos, and 3D scans -- and through these to language and text. The purity of the 3D representation allows us to establish robust maps and correspondences for transferring information among the 3D models themselves -- making our current 3D repository, ShapeNet, a true network.
While neural network architectures have had tremendous impact in image understanding and language processing, their adaptation to 3D data is not entirely straightforward. The talk will also briefly discuss current approaches in designing deep nets appropriate for operating directly on irregular 3D data representations, such as meshes or point clouds, both for analysis and synthesis -- as well as ways to learn object function from observing multiple action sequences involving objects -- in support of the above program.
Reconstruction Algorithms for Next-Generation Imaging: Multi-Tiered Iterative Phasing for Fluctuation X-ray Scattering and Single-Particle Diffraction
Date: Aug. 15, 2pm
Location: Tulare (B53-4006) (NOTE CHANGE IN ROOM!)
Speaker: Jeffrey Donatelli (CAMERA, Berkeley)
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Exploratory Studies in Neural Network-based Modeling and Control of Particle Accelerators
Date: Aug 1, 2pm
Speaker: Auralee Edelen (CSU)
Particle accelerators are host to myriad control challenges: they involve a multitude of interacting systems, are often subject to tight performance demands, in many cases exhibit nonlinear behavior, sometimes are not well-characterized due to practical and/or fundamental limitations, and should be able to run for extended periods of time with minimal interruption. One avenue toward improving the way these systems are controlled is to incorporate techniques from machine learning. Within machine learning, neural networks in particular are appealing because they are highly flexible, they are well-suited to problems with nonlinear behavior and large parameter spaces, and their recent success in other fields (driven largely by algorithmic advances, greater availability of large data sets, and improvements in high performance computing resources) is an encouraging indicator that they are now technologically mature enough to be fruitfully applied to particle accelerators. This talk will highlight a few recent efforts in this area that were focused on exploring neural network-based approaches for modeling and control of several particle accelerator subsystems, both through simulation and experimental studies.
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Estimating behind-the-meter solar generation with existing measurement infrastructure
Date: July 11, 2pm
Speaker: Emre Kara
Real-time PV generation information is crucial for distribution system operations such as switching,
state-estimation, and voltage management. However, most behind-the-meter solar installations are not
monitored.Typically, the only information available to the distribution system operator is the installed
capacity of solar behind each meter; though in many cases even the presence of solar may be unknown.
We present a method for disaggreagating behind-the-meter solar generation using only information that
is already available in most distribution systems. Specifically, we present a contextually supervised source
separation strategy adopted to address the behind-the-meter solar disaggregation problem. We evaluate
the model sensitivities to different input parameters such as the number of solar proxy measurements, number
of days in the training set, and region size.
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Development and Application of Online Optimization Algorithms
Date: June 27, 3pm
Location: Kings River, B52-306 (Note change in time and place!)
Speaker: Xiabiao Huang
Automated tuning is an online optimization process. It can be faster and more efficient than manual tuning and can lead to better performance. It may also substitute or improve upon model based methods. Noise tolerance is a fundamental challenge to online optimization algorithms. We discuss our experience in developing a high efficiency, noise-tolerant optimization algorithm, the RCDS method, and the successful application of the algorithm to various real-life accelerator problems. Experience with a few other online optimization algorithms are also discussed.
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Machine Learning at NERSC: Past, Present, and Future
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