Containers for HPC. A look at Singularity.

Vanessa Sochat and I recently completed a little study of Singularity, the container system that brings the advantages of Docker-style encapsulation to HPC.  If you are interested this is now a supplementary chapter to the book “Cloud Computing for Science and Engineering” that is being published by MIT Press.  You can see the chapter here:  The chapter has a high level overview and a brief tutorial showing how to build a singularity container for an MPI application and how to run it on an small cluster on AWS. 

Manifold Learning and Deep Autoencoders in Science

One way to think about machine learning is to view it as building a model of a system based on samples of data that are artifacts of that system.  This view does not resonate very well when the problem at hand is identifying photos containing sail boats, but it is apt when ML is applied to scientific data.

The data from scientific experiments is often takes the form of vectors in a very high dimensional space and we are looking for an underling organization of that data that reflects properties our system.   Manifold learning is based on the assumption that the system you are trying to model generates data that lies on or near a lower dimensional surface in the higher dimension coordinate space of the data.   Picture the surface of a sphere or a curve in 3-D.   If this manifold assumption about the data is true, it may be possible to “unfold’’ the surface so that a projection or other linear analysis makes the data easier to understand.

Autoencoders are deep neural networks that can be used to discover properties of the manifold of data that characterizes the system you are trying to model.  Illustrated below, autoencoders have an encoder phase and a decoder phase with a space of much lower dimension than the input in the middle.  By studying the properties of this lower dimensional space, we have a better view of the data manifold. You train an autoencoder to be the identity function.  


Recently, a lovely blog article A look at deep learning for science by Prabhat gave us an excellent overview of some uses of deep learning technology in science applications and several of these were applications of autoencoders.  Partly inspired by that article and by our own experiments with some very interesting images of neuron cells collected by Maryana Alegro at UCSF, we put together a little tutorial on autoencoders in science.   In the article we discuss two types of autoencoders: denoising and variational.  The variational autoencoder we examine is applied to the cell images in an effort to create a model that can be used to both classify samples as well generate new samples by following a path along the surface of the manifold. 

We have published this little study as a supplement to our chapter on machine learning in the book “Cloud Computing for Science and Engineering”.   The link to the article is here.

Cloud Computing for Science and Engineering

Ian Foster and I have just completed a final draft of a book that is designed to introduce the working scientist, engineer or student to cloud computing.  It surveys the technology that underpins the cloud, new approaches to technical problems enabled by the cloud, and the concepts required to integrate cloud services into scientific work.  Many of the blog posts that have appeared here have been reworked and, we hope, greatly improved and integrated into the text.  In addition the book contains introductions to the Globus data management and services infrastructure that has become widely used by the research community.

We have a website for the book that contains draft chapters,  jupyter notebooks that illustrate most of the concepts and a collection of lecture slides for the tutorial at the IEEE International Conference on Cloud Engineering based on the material in the Book.  This collection will grow over time.  The book website will also contain updates to the book material as the current cloud technology evolves.

The Table of contents for  the book is below.   We look forward to your feedback.

Table of Contents

1 Orienting in the cloud universe

Part I. Managing data in the cloud

2 Storage as a service
3 Using cloud storage services

Part II. Computing in the cloud

4 Computing as a service
5 Using and managing virtual machines
6 Using and managing containers
7 Scaling deployments

Part III. The cloud as platform

8 Data analytics in the cloud
9 Streaming data to the cloud
10 Machine learning in the cloud
11 The Globus research data management platform

Part IV. Building your own cloud

12 Building your own cloud with Eucalyptus (with Rich Wolski)
13 Building your own cloud with OpenStack (with Stig Telfer)
14 Building your own SaaS

Part V. Security and other topics

15 Security and privacy
16 History, critiques, futures
18 Afterword: A discovery cloud?

Big Data Congress 1017- CFP

I wanted to help get the word out concerning the final call for papers for the 2017 IEEE Big Data Congress.   The deadline is February 28, 2017.  This meeting is part of an annual gang of meetings including the IEEE Cloud conference, the IEEE International Conference on Web Services and others.   The conferences are going to be in Honolulu, Hawaii June 25 – June 30, 2017.

The Big Data meeting will have four tracks: research, applications, short papers and special topics.  The special topics including vision papers to point out emerging challenges, papers that describe new  data sets and benchmarks,   experience and  surveys.

The full call for papers is here:

Should be a good meeting.





Cloud-Native Applications – call for papers

The IEEE Cloud Computing Journal is going to publish a special issue on the topic of Cloud-Native applications. This is an extremely interesting topic and it cuts to the heart of what makes the cloud a platform that is, in many ways, fundamentally different from what we have seen before.

What is “cloud-native”? That is what we want you to tell us. Roger Barga from Amazon, Neel Sundaresan from Microsoft and this blogger have been invited to be guest editors. But we want you to tell us soon. The deadline is March 1, 2017. The papers do not need to be long (3,000 to 5,000 words) and some of the topics possible include:

  • Frameworks to make it easier for industry to build cloud-native applications;
  • Educational approaches and community based organizations that can promote cloud-native design concepts;
  • The role of open source for building cloud-native applications;
  • VM and container orchestration systems for managing cloud-native designs;
  • Efficient mechanisms to make legacy applications cloud-native;
  • Comparing applications – one cloud-native and the other not – in terms of performance, security, reliability, maintainability, scalability, etc.;

And  more.   please go to  to read more.


CNTK Revisited. A New Deep Learning Toolkit Release from Microsoft

In a pair of articles from last winter (first article, second article) we looked at Microsoft’s “Computational Network Toolkit” and compared it to Google’s Tensorflow.   Microsoft has now released a major upgrade of the software and rebranded it as part of the Microsoft Cognitive Toolkit.  This release is a major improvement over the initial release.  Because these older articles still get a fair amount of web traffic we wanted to provide a proper update.

There are two major changes from the first release that you will see when you begin to look at the new release.   First is that CNTK now has a very nice Python API and, second, the documentation and examples are excellent.   The core concepts are the same as in the initial release.   The original programming model was based on configuration scripts and that is still there, but it has been improved and renamed as “Brain Script”.  Brain Script is still an excellent way to build custom networks, but we will focus on the Python API which is very well documented.

Installing the software from the binary builds is very easy on both Ubuntu Linux and Windows.   The process is described in the CNTK github site.    On a Linux machine, simply download the gziped tared binary and execute the installer.

$tar -xf CNTK-2-0-beta2-0-Linux-64bit-CPU-Only.tar.gz
$cd cntk/Scripts/linux

This will install everything including a new version of Continuum’s Anaconda Python distribution.  It will also create a directory called “repos’’.   To start Jupyter in the correct conda environment do the following.

$source “your-path-to-cntk/activate-cntk"
$cd ~/repos/cntk/bindings/python/tutorials
$Jupyter notebook 

A very similar set of commands will install CNTK on your Windows 10 box. (If you are running Jupyter on a virtual machine or in the cloud you will need additional arguments to the Jupyter notebook command such as “-ip –no browser” and then then you can navigate you host browser to the VM ip address and port 8888. Of course, if it is a remote VM you should add a password. ) What you will see is an excellent set of tutorials as shown in Figure 1.


Figure 1.   CNTK tutorial Jupyter notebooks.


CNTK is a tool for building networks and the Python and Brain Script bindings are very similar in this regard.   You use the Python program to construct a network of tensors and then train and test that network through special operations which take advantage of underlying parallelism in the hardware such as multiple cores or multiple GPUs.   You can load data into the network through Python Numpy arrays or files.

The concept of constructing a computation graph for later execution is not new.   In fact, it is an established programming paradigm used in Spark, Tensorflow, and Python Dask.   To illustrate this in CNTK consider the following code fragment that creates two variables and a constructs a trivial graph that does matrix vector multiplication and vector addition.  We begin by creating three tensors that will hold the input values  to the graph and then tie them to the matrix multiply operator and vector addition.

import numpy as np
import cntk
X = cntk.input_variable((1,2))
M = cntk.input_variable((2,3))
B = cntk.input_variable((1,3))
Y = cntk.times(X,M)+B

In this X is a 1×2 dimensional tensor, i.e. a vector of length 2 and M is a matrix that is 2×3 and B is a vector of length 3. The expression Y=X*M+B yields a vector of length 3. However, no computation has taken place. We have only constructed a graph of the computation. To invoke the graph we input values for X, B and M and then apply the “eval’’ operator on Y. We use Numpy arrays to initialize the tensors and supply a dictionary of bindings to the eval operator as follows

x = [[ np.asarray([[40,50]]) ]]
m = [[ np.asarray([[1, 2, 3], [4, 5, 6]]) ]]
b = [[ np.asarray([1., 1., 1.])]]

print(Y.eval({X:x, M: m, B: b}))
array([[[[ 241.,  331.,  421.]]]], dtype=float32)

CNTK has several other important tensor containers but two important ones are

  • Constant(value=None, shape=None, dtype=None, device=None, name=”): a scalar, vector or other multi-dimensional tensor.
  • Parameter(shape=None, init=None, dtype=None, device=None, name=”): a variable whose value is modified during network training.

There are many more tensor operators and we are not going to go into them here.   However, one very important class is the set of operators that can be used to build multilevel neural networks.   Called the “Layers Library’’ they form a critical part of CNTK.    One of the most basic is the Dense(dim) layer which creates a fully connected layer of output dimension dim. As shown in Figure 2.


Figure 2.   A fully connected layer created by the Dense operator with an implicit  3×6 matrix and a 1×6 vector of parameters labeled here M and B.   The input dimension is taken from the input vector V.  The activation here is the default (none), but it could be set to ReLu or Sigmod or another function.

There are many standard layer types including Convolutional, MaxPooling, AveragePooling and LSTM. Layers can also be stacked with a very simple operator called “sequential’’. Two examples taken directly from the documentation is a standard 4 level image recognition network based on convolutional layers.

with default_options(activation=relu):
    conv_net = Sequential ([
        # 3 layers of convolution and dimension reduction by pooling
        Convolution((5,5), 32, pad=True), MaxPooling((3,3), strides=(2,2)),
        Convolution((5,5), 32, pad=True), MaxPooling((3,3), strides=(2,2)),
        Convolution((5,5), 64, pad=True), MaxPooling((3,3), strides=(2,2)),
        # 2 dense layers for classification
        Dense(10, activation=None)

The other fun example is a slot tagger based on a recurrent LSTM network.

tagging_model = Sequential ([
    Embedding(150),         # embed into a 150-dimensional vector
    Recurrence(LSTM(300)),  # forward LSTM
    Dense(labelDim)         # word-wise classification

The Sequential operator can be thought of as a concatenation of the layers that in the given sequence.   In the case of the slot tagger network, we see two additional important operators: Embedding and Recurrence.

Embedding is used for word embeddings where the inputs are sparse vectors of size equal to the word vocabulary (item i = 1 if the word is the i-th element of the vocabulary and 0 otherwise) and the embedding matrix is of size vocabulary-dimension by, in this case, 150.     The embedding matrix may be passed as a parameter or learned as part of training.

The Recurrence operator is used to wrap the correct LSTM output back to the input for the next input to the network.

A Closer Look at One of Tutorials.

The paragraphs above are intended to give you the basic feel of what CNTK looks like with its new Python interface.  The best way to learn more is to study the excellent example tutorials.

CNTK 203: Reinforcement Learning Basics

CNTK version 1 had several excellent tutorials, but version 2 has the Python notebook versions of these plus a few new ones.  One of the newest demos is an example of reinforcement learning.   This application of Neural Nets was first described in the paper Human-level control through deep reinforcement learning, by the Google DeepMind group.  This idea has proven to be very successful in systems that learn to play games.  This topic has received a lot of attention, so we were happy to see this tutorial included in CNTK. The example is a very simple game that involves balancing a stick.   More specifically they use the cart-pole configuration from OpenAI.   As shown in figure 3, the system state can be described by a 4-tuple: position of the cart, its velocity, the angle of the pole and the angular velocity.   The idea of the game is simple.  You either push the cart to the left or the right and see if you can keep the stick vertical.   If you drift too far off course or the pole angle goes beyond an angle of 15 degrees, the game is over.   Your score is the total number of steps you take before failure. The full example is in the github repository and we are not going to go through all the code here.  The Jupyter notebook for this example is excellent, but if you are new to this topic you may find some additional explanation of value in case you decide to dig into it.cntk-cart-pole

Figure 3. Cart-Pole game configuration.

The part of reinforcement learning used here is called a Deep Q-Network. It uses a neural network to predict the best move when the cart is in a given state. This is done by implicitly modeling a function Q(s,a) which is the optimal future reward given state s and the action is a and where the initial reward is r. They approximate Q(s,a) using the “Bellmann equation” which describes how to choose action a in a given state s to maximize the accumulated reward over time based inductively on the same function applied to the following states s’.


The parameter gamma is a damping factor that guarantees the recurrence converges. (Another excellent reference for this topic is the blog by Jaromír Janisch.) The CNTQ team approached this problem as follows. There are three classes.

  • Class Brain.    This hold our neural net and trainer.  There are three methods
    • Create() which is called at initialization.   It creates the network.   There are two tensor parameters: observation, which is used to hold the input state and q_target which is a tensor used for training.   The network is nice and simple:
      l1 = Dense(64, activation=relu)
      l2 = Dense(2)
      unbound_model = Sequential([l1, l2])
      model = unbound_model(observation)

      The training is by the usual stochastic gradient descent based on a loss measure.

      loss = reduce_mean(square(model - q_target), axis=0)
      meas = reduce_mean(square(model - q_target), axis=0)
      learner = sgd(model.parameters, lr,    
      trainer = Trainer(model, loss, meas, learner)
    • Train(x, y)  which calls the trainer for batches of states x and predicted outcomes y which we will describe below
    • Predict(s) which invokes the model for state ‘s’ and returns a pair of optimal rewards given a left or right move.
  • Class Memory. This hold a record of recent moves.   This is used by the system to create training batches.  There are two methods
    • Add(sample configuration)  – adds a four tuple consisting of a starting state, an action and a result and a resulting  state tuple to a memory.
    • Sample(n) returns a random sample of n configurations samples from the memory.
  • Class Agent which is the actor that picks the moves and uses the memory to train the network.  There are three methods here.
    • Act(state) returns a 0 or 1 (left move or right move) that will give the best reward for the given state.     At first it just makes random guesses, but as time passes it uses the Predict method of the Brain class to select the best move for the given state.
    • Observe(sample configuration) records a configuration in the memory and keeps track of the time step and another parameter used by act.
    • Replay() is the main function for doing the learning.    This is the hardest part to understand in this tutorial. It works by grabbing a random batch of memorized configurations from memory.   What we will do is use the current model to predict an optimal outcome and use that as the next step in training the model.  More specifically for each tuple in the batch we want to turn it into a training sample so that the network behaves like the Bellmann equation.  A tuple consists of the start state, the action, the reward and the following state.   We can apply our current model to predict the award for the start state and also for the result state.  We can use this information to create a new reward tuple for the given action and start state that models the Bellmann recurrence.   Our training example is the pair consisting of the start state and this newly predicted reward.  At first this is a pretty poor approximation, but amazingly over time it begins to converge. The pseudo code is shown below.
      x = numpy.zeros((batchLen, 4)).astype(np.float32)
      y = numpy.zeros((batchLen, 2)).astype(np.float32)
      for i in range(batchLen):
          s, a, r, s_ = batch[i]
          # s = the original state (4 tuple)
          # a is the action that was taken
          # r is the reward that was given
          # s_ is the resulting state.
          # let t = the reward computed from current network for s 
          # and let r_ be the reward computed for state s_.
          # now modify t[a] = r + gamma* numpy.amax(r_) 
          # this last step emulated the bellmann equation
          x[i] = s
          y[i] = t

The final part of the program is now very simple. We have an environment object that returns a new state and a done flag for each action the agent takes. We simply run our agent until it falls out of bounds (the environment object returns done=True). If the step succeeded, we increment our score. The function to run the agent and to keep score is shown below.

def run(agent):
    s = env.reset()
    R = 0 
    while True:            
        a = agent.act(s)
	  s_, r, done, info = env.step(a)
        if done: # terminal state
            s_ = None
        agent.observe((s, a, r, s_))
        agent.replay() #learn from the past           
        s = s_
        R += r
        if done:
            return R

Each time we run “run” it learns a bit more.   After about 7000 runs it will take over 600 steps without failure.

The text above is no substitute for a careful study of the actual code in the notebook.  Also, as it is a notebook, you can have some fun experimenting with it.  We did.

Final Thoughts

CNTK is now as easy to use as any of the other deep learning toolkits.   While we  have not benchmarked its performance they claim it is extremely fast and it make good use of multiple GPUs and even a cluster of servers.    We are certain that the user community will enjoy using and contributing to its success.


The team that first created CNTK should be cited.   I know there are likely many others that have contributed to the open source release in one way or another, but the following is the master citation.

Amit Agarwal, Eldar Akchurin, Chris Basoglu, Guoguo Chen, Scott Cyphers, Jasha Droppo, Adam Eversole, Brian Guenter, Mark Hillebrand, T. Ryan Hoens, Xuedong Huang, Zhiheng Huang, Vladimir Ivanov, Alexey Kamenev, Philipp Kranen, Oleksii Kuchaiev, Wolfgang Manousek, Avner May, Bhaskar Mitra, Olivier Nano, Gaizka Navarro, Alexey Orlov, Hari Parthasarathi, Baolin Peng, Marko Radmilac, Alexey Reznichenko, Frank Seide, Michael L. Seltzer, Malcolm Slaney, Andreas Stolcke, Huaming Wang, Yongqiang Wang, Kaisheng Yao, Dong Yu, Yu Zhang, Geoffrey Zweig (in alphabetical order), “An Introduction to Computational Networks and the Computational Network Toolkit“, Microsoft Technical Report MSR-TR-2014-112, 2014.

A Brief Look at Google’s Cloud Datalab

Google recently released a beta version of a new tool for data analysis using the cloud called Datalab.  In the following paragraphs we take a brief look at it through some very simple examples.  While there are many nice features of Datalab, the easiest way to describe it would be to say that it is a nice integration of the IPython Jupyter notebook system with Google’s BigQuery data warehouse.  It also integrates standard IPython libraries such as graphics and scikit-learn and Google’s own machine learning toolkit TensorFlow.

To use it you will need a Google cloud account.   The free account is sufficient if you are interested in just trying it out.   You may ask, why do I need a Google account when I can use Jupyter, IPython and TensorFlow on my own resources?    The answer is you can easily access BigQuery on non-trivial sized data collections directly from the notebook running on your laptop.  To get started go to the Datalab home page.   It will tell you that this is a beta version and give you two choices: you may either install the Datalab package locally on your machine or you may install it on a VM in the Google cloud.   We prefer the local version because it saves your notebooks locally.

 The Google public data sets that are hosted in the BigQuery warehouse are fun to explore.  They include

  • The names on all US social security cards for births after 1879.  (The table rows contain only the year of birth, state, first name, gender and number as long as it is greater than 5.  No social security numbers.),
  • The New York City Taxi trips from 2009 to 2015,
  • All stories and comments from “Hacker News”,
  • The US Dept of Health weekly records of diseases reported from each city and state from 1888 to 2013,
  • The public data from the HathiTrust and the Internet Book Archive,
  • The global summary of the day’s (GSOD) weather from the national oceanographic and atmospheric administration from 9000 weather stations between 1929 and 2016.

And more, including the 1000 genome database.

To run Datalab on your laptop you need to have Docker installed.   Once Docker is running then and you have created a Google cloud account and created a project, you can launch Datalab with simple docker command as illustrated in their quick-start guide.  When the container is up and running you can view it at http://localhost:8081.  What you see at first is shown in Figure 1.  Keep in mind that this is beta release software so you can expect it will change or go away completely. 


Figure 1.  Datalab Top level view.

Notice the icon in the upper right corner consisting of a box with an arrow.   Clicking this allows you to login to the Google cloud and effectively giving your authorization to allow you container to run on your gcloud account.

The view you see is the initial notebook hierarchy.   Inside docs is a directory called notebooks that contain many great tutorials and samples.

A Few Simple Examples of Using Datalab

As mentioned above, one of the public data collections is the list of first names from social security registrations.   Using Datalab we can look at a sample of this data by using one of the built-in Bigquery functions as shown in Figure 2.


Figure 2.   Sampling the names data.


This page gives us enough information about the schema that we can now formulate a query.

In modern America there is a movement to “post-gender” names.   Typical examples cited on the web are “Dakota”, “Skyler” and  “Tatum”.   A very simple SQL query can be formulated to see how the gender breakdown for these names show up in the data.  In Datalab, we can formulate the query as shown in Figure 3.


Figure 3.   Breakdown by gender of three “post-gender” names.

As we can see, this is very nearly gender balanced.  A closer inspection using each of the three names separately show that “Skyler” tends to be ‘F’ and “Tatum” tends to ‘M’. On the other hand, “Dakota” does seem to be truly post-gender with 1052 ‘F’ and 1200 ‘M’ occurrences.

We can also consider the name “Billy” which, in the US, is almost gender neutral.   (Billy Mitchel was a famous World Work I general and also a contemporary Jazz musician.  Both male. And Billy Tipton and Billy Halliday were female musicians though Billy Halliday was actually named Billie and Billy Tipton lived her life as a man, so perhaps they don’t count.   We can ask how often Billy was used as a name associated with gender ‘F’ in the database?  It turns out it is most common in the southern US. We can then group these by state and create a count and show the top five.   The SQL command is easily inserted into the Datalab note book as shown in Figure 4.


Figure 4.   Search for Billy with gender ‘F’ and count and rank by state of birth.

Rubella in Washington and Indiana

 A more interesting data collection is Center for Disease Control and Prevention dataset concerning diseases reported by state and city over a long period.   An interesting case is Rubella, which is virus also known as the “German measles”.   Through our vaccination programs it has been eliminated in the U.S. except for those people who catch it in other countries where it still exists.  But in the 1960s it was a major problem with an estimated 12 million cases in the US and a significant number of newborn deaths and birth defects.   The vaccine was introduced in 1969 and by 1975 the disease was almost gone.   The SQL script shown below is a slight modified version of one from the Google Bigquery example.   It has been modified to look for occurrences of Rubella in two states, Washington and Indiana, over the years 1970 and 1971.

%%sql --module rubella
    *, MIN(z___rank) OVER (PARTITION BY cdc_reports_epi_week) AS z___min_rank
  FROM (
      *, RANK() OVER (PARTITION BY cdc_reports_state ORDER BY cdc_reports_epi_week ) AS z___rank
    FROM (
        cdc_reports.epi_week AS cdc_reports_epi_week,
        cdc_reports.state AS cdc_reports_state,
        COALESCE(CAST(SUM((FLOAT(cdc_reports.cases))) AS FLOAT),0) 
         AS cdc_reports_total_cases
        [lookerdata:cdc.project_tycho_reports] AS cdc_reports
        (cdc_reports.disease = 'RUBELLA')
        AND (FLOOR(cdc_reports.epi_week/100) = 1970 
          OR FLOOR(cdc_reports.epi_week/100) = 1971)
        AND (cdc_reports.state = 'IN'
          OR cdc_reports.state = 'WA')
        1, 2) ww ) aa ) xx
  z___min_rank <= 500

We can now invoke this query as part of a python statement so we can capture its result as a pandas data frame and pull apart the time stamp fields and data values.

rubel = bq.Query(rubella).to_dataframe()
rubelIN = rubel[rubel['cdc_reports_state']=='IN']
rubelWA = rubel[rubel['cdc_reports_state']=='WA']
epiweekIN = rubelIN['cdc_reports_epi_week']
epiweekWA = rubelWA['cdc_reports_epi_week']
rubelINval = rubelIN['cdc_reports_total_cases']
rubelWAval = rubelWA['cdc_reports_total_cases']

At this point a small adjustment must be made to the time stamps.  The CDC reports times in epidemic weeks and there are 52 weeks in a year.    So the time stamps for the first week of 1970 is 197000 and the time stamp for the last week is 197051.  The next week is 197100.  To make these into timestamps that appear contiguous we need to make a small “time compression” as follows.

realweekI = np.empty([len(epiweekIN)])
realweekI[:] = epiweekIN[:]-197000
realweekI[51:] = realweekI[51:]-48

Doing the same thing with epiweekWA we now have the basis of something we can graph.  Figure 5 shows the progress of rubella in Washington and Indiana over two years.  Washington is the red line and Indiana is blue.   Note that the outbreaks occur about the same time in both states and that by late 1971 the disease is nearly gone.


Figure 5.   Progress of Rubella in Washington (red) and Indiana (blue) from 1970 through 1971.

Continuing the plot over 1972 and 1973 show there are flare-ups of the disease each year but their maximum size is diminishes rapidly.

(Datalab has some very nice plotting functions, but we could not figure out how to do a double plot, so we used the mathplot library with the “fivethirtheight” format.)


A Look at the Weather


From the national oceanographic and atmospheric administration we have the global summary of the day’s (GSOD) weather from the from 9000 weather stations between 1929 and 2016.   While not all of these stations were operating during that entire period, there is still a wealth of weather data here.   To illustrate it, we can use another variation on one of Google’s examples.  Let’s find the hottest spots in the state of Washington for 2015.   This was a particularly warm year that brought unusual droughts and fires to the state. The following query will list the hottest spots in the state for the year.

  max, (max-32)*5/9 celsius, mo, da, state, stn, name
    max, mo, da, state, stn, name
    [bigquery-public-data:noaa_gsod.gsod2015] a
    [bigquery-public-data:noaa_gsod.stations] b
    AND a.wban=b.wban
    AND max

 The data set ‘gsod2015’ is the table of data for the year 2015.  To get a list that also shows the name of the station we need to do a join with the ‘station’ table over the corresponding station identifiers.  We order the results descending from the warmest recordings.    The resulting table is shown in Figure 6 for the top 10.


Figure 6.   The top 10 hottest spots in Washington State for 2015

The results are what we would expect.   Walla Walla, Moses Lake and Tri Cities are in the eastern part of the state and summer was very hot there in 2015.   But  Skagit RGNL is in the Skagit Valley near Puget Sound.   Why is it 111 degrees F there in September?   If it is hot there what was the weather like in the nearby locations?   To find out which stations were nearby we can look at the stations on a map.   The query is simple but it took some trial and error.

%%sql --module stationsx
DEFINE QUERY locations
  SELECT FLOAT(lat/1000.0) AS lat, FLOAT(lon/1000.0) as lon, name
  FROM [bigquery-public-data:noaa_gsod.stations]
  WHERE state="WA" AND name != "SPOKANE NEXRAD"

It seems that the latitude and longitude for the Spokane NEXRAD station are incorrect and resolve to some point in Mongolia.  By removing it we get a good picture of the nearby stations as shown in Figure 7.


Figure 7.   Location of weather stations in western Washington using the Bigquery chart map function.

 This is an interactive map, so we can get the names of the nearby stations.   There is one only a few miles away  called PADILLA BAY RESERVE and the next closest is BELLINGHAM INTL.   We can now compare the weather for 2015 at these three locations.

 To get the weather for each of these we need the station ID.   We can do that with a simple query.

  usaf, name
FROM [bigquery-public-data:noaa_gsod.stations] 

Once we have our three station IDs we can use the follow to build a parameterized Bigquery expression.

qry = "SELECT max AS temperature, \
       TIMESTAMP(STRING(year) + '-' + STRING(mo) + \
       '-' + STRING(da)) AS timestamp \
FROM [bigquery-public-data:noaa_gsod.gsod2015] \
WHERE stn = '%s' and max /< 500 \

stationlist = ['720272','727930', '727976']

dflist = [bq.Query(qry % station).to_dataframe() for station in stationlist]

 We can now render an image of the weather for our three stations as shown in Figure 8.


Figure  8.  Max daily temperatures for Skagit (blue), Padilla Bay (red) and Bellingham (yellow)

 We can clearly see the anomaly for Skagit in September and it is also easy to spot another problem in March where the instruments seemed to be not recording.   Other than that there is close alignment of the readings.


There are many features of Datalab that we have not demonstrated here.   The documentation gives an example of using Datalab with Tensorflow and the charting capabilities are more extensive than demonstrated here.  (The Google maps example here was not reproducible in any other notebook beyond the demo in the samples which we modified to run the code here.)  It is also easy to upload your own data to the warehouse and analyze it with Datalab.

 Using Datalab is almost addictive.  For every one of the data collections we demonstrated here there were many more questions we wanted to explore.  For example, where and when did the name “Dakota” start being used and how did its use spread?   Did the occurrence of Rubella outbreaks correspond to specific weather events?  Can we automate the process of detecting non-functioning weather instruments over the years where records exist?  These are all relatively standard data mining tasks, but the combination of Bigquery and IPython in the notebook format makes it fun.

 It should be noted that Datalab is certainly not the first use of the IPython notebook as a front-end to cloud hosted analysis tools.  The IPython notebook has been used frequently with Spark as we have previously described.  Those interested in an excellent overview of data science using Python should look at “Python Data Science Handbook”  by Jake VanderPlas which makes extensive use of IPython notebooks.     There are a variety of articles about using Jupyter on AWS  and Azure for data analytics.  A good one is by Cathy Ye about deep learning using Jupyter in the cloud where she gives detailed instruction for how to install Jupyter on AWS and deploy Caffe there.