Enthought
Enthought
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  • Просмотров 8 650 931
WEBINAR: Materials Informatics for Product Development: Deliver Big with Small Data
Have small data challenges but want to leverage Materials Informatics? This is a common situation for many industry labs. At Enthought, we have tackled many materials and chemicals product development challenges and have employed multiple techniques for getting the most value out of small data to meet innovation goals. In this webinar co-hosted with Chemical & Engineering News, we present proven strategies and tips for how teams can make the most of what data they have and set a course towards continuous improvement through Materials Informatics.
Contact us to learn more digital solutions for materials science and chemistry-driven R&D: www.enthought.com/materials-science-chemistry
Connect w...
Просмотров: 787

Видео

Enthought Academy - Deep Model Evaluation Short
Просмотров 474Год назад
Connect with us! enthought Enthought/ www.linkedin.com/company/enthought
The Future of the Science Lab is Digital
Просмотров 10 тыс.Год назад
Enthought powers digital transformation for science. For more about building your R&D lab of the future, visit www.enthought.com/lab-of-the-future. Enthought's advanced computing and deep scientific expertise enable companies to accelerate discovery and innovation in the R&D lab and better compete in today's marketplace. We specialize in transforming organizations in the pharmaceutical, biotech...
Day 1 Lightning Talks | SciPy 2022
Просмотров 1,4 тыс.2 года назад
Day 1 Lightning Talks | SciPy 2022
SciPy Tools Plenary Session - Day 3 | SciPy 2022
Просмотров 4722 года назад
SciPy Tools Plenary Session - Day 3 | SciPy 2022
SciPy Tools Plenary Session - Day 2 | SciPy 2022
Просмотров 5142 года назад
SciPy Tools Plenary Session - Day 2 | SciPy 2022
Q&A and Panel Maintainers Track
Просмотров 1642 года назад
Q&A and Panel Maintainers Track
UFuncs and DTypes new possibilities in NumPy | SciPy 2022
Просмотров 6722 года назад
UFuncs and DTypes new possibilities in NumPy | SciPy 2022
SciPy Tools Plenary Session - Day 1 | SciPy 2022
Просмотров 8792 года назад
SciPy Tools Plenary Session - Day 1 | SciPy 2022
Introduction to Numerical Computing With NumPy - Logan Thomas | SciPy 2022
Просмотров 8 тыс.2 года назад
NumPy provides Python with a powerful array processing library and an elegant syntax that is well suited to expressing computational algorithms clearly and efficiently. We'll introduce basic array syntax and array indexing, review some of the available mathematical functions in NumPy, and discuss how to write your own routines. Along the way, we'll learn just enough about Matplotlib to display ...
Monaco: Quantify Uncertainty & Sensitivities in Computational Models w/ Monte Carlo Lib | SciPy 2022
Просмотров 1,8 тыс.2 года назад
Roll the dice! Quantify uncertainty and sensitivities in your existing computational models with the “monaco” Monte Carlo library. Users define input variables randomly drawn from any of SciPy's statistical distributions, run their model in parallel anywhere from 1 to millions of times, and postprocess the outputs to obtain meaningful, statistically significant conclusions. This talk will go ov...
The Myth of the Normal Curve and What to Do About It - Allan Campopiano | SciPy 2022
Просмотров 1,5 тыс.2 года назад
📊 Interactive notebook app: deepnote.com/workspace/allan-campopiano-4ca00e1d-f4d4-44a2-bcfe-b2a17a031bc6/project/robust-stats-simulator-7c7b8650-9f18-4df2-80be-e84ce201a2ff//notebook.ipynb 🐍 Hypothesize (robust statistics library for Python): github.com/Alcampopiano/hypothesize ✍️ Proceedings manuscript: conference.scipy.org/proceedings/scipy2022/pdfs/allan_campopiano.pdf
Keynote: Fairness of Machine Learning in Medical Image Analysis - Enzo Ferrante | SciPy 2022
Просмотров 6182 года назад
Medical institutions around the world are adopting machine learning (ML) systems to assist in analyzing health data; at the same time, the research community of fairness in ML has shown that these systems can be biased, resulting in disparate performance for specific subpopulations. In this talk, we will discuss the relationship between bias, ML and health systems, addressing the specific case ...
The (Surprising) Road to Reproducibility: Automation! - Prabhu Ramchandran | SciPy 2022
Просмотров 4532 года назад
The (Surprising) Road to Reproducibility: Automation! - Prabhu Ramchandran | SciPy 2022
The Advanced Scientific Data Format (ASDF): An Update - Perry Greenfield | SciPy 2022
Просмотров 4092 года назад
The Advanced Scientific Data Format (ASDF): An Update - Perry Greenfield | SciPy 2022
Keynote: Python's Contribution to Astronomy & Major Space Telescope Missions Megan Sosey | SciPy2022
Просмотров 2232 года назад
Keynote: Python's Contribution to Astronomy & Major Space Telescope Missions Megan Sosey | SciPy2022
Scientific Python-By Maintainers, for Maintainers | SciPy 2022
Просмотров 2322 года назад
Scientific Python-By Maintainers, for Maintainers | SciPy 2022
Python to Protect Voting Rights- Karin Knudson, Chanel Richardson, Gabe Schoenbach | SciPy 2022
Просмотров 3062 года назад
Python to Protect Voting Rights- Karin Knudson, Chanel Richardson, Gabe Schoenbach | SciPy 2022
An Introduction to Distributed Hybrid Hyperparameter Optimization- Jun Liu | SciPy 2022
Просмотров 4252 года назад
An Introduction to Distributed Hybrid Hyperparameter Optimization- Jun Liu | SciPy 2022
Python for Global Applications: Law and Diplomacy Students- Karin Knudson, Anna Haensch | SciPy 2022
Просмотров 2492 года назад
Python for Global Applications: Law and Diplomacy Students- Karin Knudson, Anna Haensch | SciPy 2022
Comparing the Different Ways to Scale Python & Pandas Code- Shaswat Shah | SciPy 2022
Просмотров 2842 года назад
Comparing the Different Ways to Scale Python & Pandas Code- Shaswat Shah | SciPy 2022
Searching for Anomalous Subsets? All You Need is Scanning- Tanya Akumu | SciPy 2022
Просмотров 4312 года назад
Searching for Anomalous Subsets? All You Need is Scanning- Tanya Akumu | SciPy 2022
Pangeo Forge: Crowdsourcing Open Data in the Cloud- Ryan Abernathey | SciPy 2022
Просмотров 8082 года назад
Pangeo Forge: Crowdsourcing Open Data in the Cloud- Ryan Abernathey | SciPy 2022
SciPy Tools Plenary Session- Martha Cryan | SciPy 2022
Просмотров 3582 года назад
SciPy Tools Plenary Session- Martha Cryan | SciPy 2022
Keynote: SciPy in Climate Science- Peter Kalmus | SciPy 2022
Просмотров 8082 года назад
Keynote: SciPy in Climate Science- Peter Kalmus | SciPy 2022
Accelerating ETL/SQL Workloads with RAPIDS-Dask + Dask-SQL - Charles Blackmon-Luca | SciPy 2022
Просмотров 4232 года назад
Accelerating ETL/SQL Workloads with RAPIDS-Dask Dask-SQL - Charles Blackmon-Luca | SciPy 2022
Building binary extensions with pybind11, scikit build, and cibuildwheel- Q&A and Panel | SciPy 2022
Просмотров 1,3 тыс.2 года назад
Building binary extensions with pybind11, scikit build, and cibuildwheel- Q&A and Panel | SciPy 2022
Real-Time Digital Signal Processing with SciPy Signal- Luigi Cruz | SciPy 2022
Просмотров 2,3 тыс.2 года назад
Real-Time Digital Signal Processing with SciPy Signal- Luigi Cruz | SciPy 2022
Awkward Packaging: Building Scikit-HEP - Henry Schreiner | SciPy 2022
Просмотров 3742 года назад
Awkward Packaging: Building Scikit-HEP - Henry Schreiner | SciPy 2022
Human-Friendly, Production-Ready Data Science with Metaflow- Savin Goyal | SciPy 2022
Просмотров 6512 года назад
Human-Friendly, Production-Ready Data Science with Metaflow- Savin Goyal | SciPy 2022

Комментарии

  • @SumiaDIY
    @SumiaDIY 2 дня назад

    6:53 "if you've spent any time with --" with what? I didn't get the word and the youtube generated captions say 'koolaid' LOL. If someone could clarify, I'd really appreciate it, thanks!!

  • @narendraful
    @narendraful 7 дней назад

    Great lecture ! Thanks I just have one doubt at 2:05:39 we use avg_2 function, but we did not need to vectorise it on the other hand avg_2_mod needed vectorisation. I can’t understand what is the difference between two functions… I.e. why does one need vectorisation and the other doesn’t for the same inputs ??

  • @mawkuri5496
    @mawkuri5496 10 дней назад

    which is better for parallel computing? cupy or taichi?

  • @Tomoya575
    @Tomoya575 15 дней назад

    I am right now so curious about the linkage between LabVIEW and python. It should be deployed to several fields, not contains the semiconductor.

  • @charlesspringer4709
    @charlesspringer4709 23 дня назад

    Very nice. Prof. Barba's presentation was quite succinct. I assume that 7 years later she has realized that she can point at things with the mouse cursor instead of turning around and waving at the projector screen :-)

  • @kisho2679
    @kisho2679 27 дней назад

    does it have integrated "SageMath"?

  • @kamalnathkadirvel2691
    @kamalnathkadirvel2691 Месяц назад

    14:05Multiple input elements

  • @user-nd7zh6gy6b
    @user-nd7zh6gy6b Месяц назад

    It's interesting for novice in the field, I thought you would present multiple objectives convex optimization with non standards form of objective functions.

  • @PaulIvanov314
    @PaulIvanov314 Месяц назад

    54:15 is where you get your waffles!

  • @MahmoudMohamed-lo7oz
    @MahmoudMohamed-lo7oz Месяц назад

    😊

  • @thenerdguy9985
    @thenerdguy9985 Месяц назад

    Great Talk

  • @caine7024
    @caine7024 Месяц назад

    very useful tool. it's such a freaking pain to merge jupyter notebooks D:

  • @wolpumba4099
    @wolpumba4099 Месяц назад

    *Summary* *Overall Tutorial:* * *Focus (**0:03**):* Practical application and problem-solving for numerical optimization using Python libraries. * *Libraries:* `scipy.optimize`, `estimagic`, and `jaxopt`. * *Exercises (**0:36**):* Hands-on Jupyter notebooks with examples of common optimization issues and their solutions. * *Prerequisites:* Basic Python, NumPy, and function definition knowledge. *Library Breakdown:* * *`scipy.optimize` (**0:03**):* * Simple, mature, and reliable starting point. * Provides access to 14 local optimizers suitable for various optimization problems. * Parameters are 1D NumPy arrays. * Lacks features like parallelization, interactive feedback, and flexible parameter representation. * *`estimagic` (**0:31**):* * Built on top of `scipy.optimize` and other libraries (`nlopt`, `tao`, `pygmo`, etc.), providing a harmonized interface. * Offers a wider range of optimizers and advanced features, including: * Flexible parameter representation using dictionaries, Pandas Series/DataFrames, and nested structures. * Interactive dashboard, logging, and visualization tools. * Built-in scaling and constraint handling mechanisms. * Support for global optimization techniques. * Emphasizes informed algorithm choice and robust convergence assessment. * *`jaxopt` (**0:47**):* * Utilizes JAX for automatic differentiation, JIT compilation, and GPU acceleration. * Provides differentiable optimizers, enabling gradient-based approaches with high precision and speed. * Excels in solving many instances of similar optimization problems efficiently through vectorization. *Key Concepts and Exercise Highlights:* * *Criterion Functions (**3:28**):* Defining optimization targets as Python functions. * *Start Parameters (**5:26**):* Understanding their importance and setting them appropriately. * *Algorithm Selection (**30:11**):* Choosing the right algorithm based on function properties (differentiability, complexity, constraints, size). Exercises involve identifying and fixing optimization failures by switching algorithms. * *Scaling (**40:22**):* Recognizing the impact of poorly scaled problems and using `estimagic`'s scaling capabilities to improve performance. Visualizing scaling issues with slice plots. * *Benchmarking (**53:32**):* Comparing optimizer performance on a set of benchmark problems with known optima. Utilizing profile plots and convergence plots for analysis. * *Bounds and Constraints (**1:08:48**):* Using bounds, fixed parameters, and linear constraints to define the optimization problem. Exercises involve implementing these constraints in `estimagic`. * *Automatic Differentiation (**49:59**):* Employing JAX to calculate gradients efficiently and accurately. Implementing JAX gradients within `estimagic`. * *Global Optimization (**1:29:49**):* Briefly introducing techniques like genetic algorithms, Bayesian optimization, and multi-start optimization. * *Vectorization with JAX (**2:00:19**):* Utilizing `jaxopt` and the `vmap` function transformation to solve multiple optimization problems concurrently. *Exercise Breakdown with Timestamps:* *Exercise 1: First Optimization with `scipy.optimize` (**6:57**):* * *Goal:* Familiarize yourself with basic optimization in Python using `scipy.optimize.minimize`. * *Task:* * Translate a mathematical criterion function (a function of multiple variables to be minimized) into Python code. * Set up starting parameters for the optimization. * Use `scipy.optimize.minimize` to find the minimum of the function. * *Key Takeaway:* You learn the essential steps involved in setting up and solving a basic optimization problem in Python. *Exercise 2: Convert Previous Example to `estimagic` (**13:45**):* * *Goal:* Experience the advantages of `estimagic`'s interface and features. * *Task:* * Convert the criterion function and starting parameters from Exercise 1 to work with `estimagic.minimize`. * Use dictionaries instead of flat arrays to represent parameters, taking advantage of `estimagic`'s flexibility. * Plot the optimization history using `estimagic`'s built-in plotting functions (`criterion_plot` and `params_plot`) to visualize the optimization process. * *Key Takeaway:* You become comfortable with `estimagic`'s syntax, understand how to represent parameters flexibly, and learn to use visualization tools for analyzing optimization runs. *Exercise 3: Play with Algorithm and `algo_options` (**30:26**):* * *Goal:* Develop an intuition for choosing appropriate algorithms and understanding their impact on optimization success. * *Task:* * You receive code snippets for two optimization problems, each with a pre-selected algorithm that *appears* to succeed but produces incorrect results. * Analyze the criterion functions to understand why the initial algorithm choice fails. * Choose a different algorithm (and potentially fine-tune `algo_options`) that successfully finds the true minimum. * *Key Takeaway:* You gain a deeper understanding of the strengths and weaknesses of different optimization algorithms and learn how to diagnose and address optimization failures caused by inappropriate algorithm choices. *Exercise 4: Benchmarking Optimizers (**54:53**):* * *Goal:* Learn to systematically compare optimizers and understand their relative performance on different types of problems. * *Task:* * Use `estimagic`'s benchmarking tools to run a set of benchmark problems with various optimizers. * Visualize the results using profile plots (showing the share of problems solved over the number of function evaluations) and convergence plots (detailing the convergence paths for individual problems). * Compare different implementations of the Nelder-Mead algorithm to see how implementation details can affect performance. * *Key Takeaway:* You gain experience with benchmarking optimizers, understand how to interpret benchmark results, and learn to appreciate the importance of choosing well-implemented algorithms. *Exercise 5: Constrained Optimization (**1:24:31**):* * *Goal:* Implement bounds and constraints to define a more realistic optimization problem. * *Task:* * Use `estimagic`'s constraint handling features to: * Set upper and lower bounds on specific parameters. * Fix certain parameters at their starting values. * Implement a linear constraint on the average of a subset of parameters. * Solve the constrained optimization problem and compare the results to the unconstrained case. * *Key Takeaway:* You learn to define and solve constrained optimization problems in `estimagic` and understand the impact of constraints on the solution. *Exercise 6: Scaling of Optimization Problems (timestamp not available):* * *Goal:* Visualize and address the challenges posed by poorly scaled optimization problems. * *Task:* * Work with a badly scaled benchmark problem. * Use `estimagic`'s `slice_plot` function to visualize the sensitivity of the criterion function to changes in each parameter. * Run the optimization with and without scaling (`scaling=True` in `estimagic.minimize`) and compare the results using a criterion plot. * *Key Takeaway:* You understand the concept of scaling in optimization, learn to recognize scaling issues through visualization, and experience how `estimagic`'s scaling feature can significantly improve optimizer performance. *Exercise 7: Using JAX Derivatives in `estimagic` (**1:53:58**):* * *Goal:* Integrate JAX's automatic differentiation capabilities into `estimagic` for faster and more precise gradients. * *Task:* * Translate a criterion function to use JAX arrays (`jnp`). * Compute the gradient of the function using `jax.grad` and optionally JIT-compile it for further speedup. * Solve the optimization problem using `estimagic.minimize`, passing the JAX gradient as the `derivative` argument. * *Key Takeaway:* You learn to combine the strengths of `estimagic` and JAX, demonstrating how automatic differentiation can be seamlessly integrated to enhance optimization performance. *Exercise 8: Vectorized Optimization in `jaxopt` (**2:00:19**) (Optional):* * *Goal:* Explore `jaxopt`'s capabilities for solving multiple instances of the same optimization problem concurrently. * *Task:* * Define a wrapper function that encapsulates the `jaxopt` optimization process for a single problem instance. * Use JAX's `vmap` function transformation to vectorize the wrapper function, enabling it to handle batches of problems. * Solve a set of problems with varying parameters efficiently using the vectorized solver. * *Key Takeaway:* You gain exposure to `jaxopt` and understand how to leverage JAX's vectorization features for situations where you need to solve many similar optimization problems. These exercises offer a comprehensive, hands-on approach to learning practical numerical optimization in Python, covering a wide range of topics from basic problem setup to advanced techniques using JAX and `jaxopt`. They are designed to build your intuition, problem-solving skills, and confidence in tackling real-world optimization challenges. i used gemini 1.5 pro to summarize the transcript

  • @salimtlemcani4122
    @salimtlemcani4122 Месяц назад

    Awesome presentation! Please do you provide the solution of the exercises?

  • @user-tg2gm1ih9g
    @user-tg2gm1ih9g Месяц назад

    the mere fact that everyone and his brother is working on a way to speed up python makes it *crystal* clear that python is unusable except for throw-away prototypes or maybe a bignums calculator.

  • @kisho2679
    @kisho2679 Месяц назад

    how can an external LaTex file be called/included/embedded in a JupyterLab cell?

  • @ravindarmadishetty736
    @ravindarmadishetty736 Месяц назад

    Such a nice presentation on plotly. In one area while visual to code i am unable to see any response where fig.show('json') at 12.53.....root, data.....etc. Please help me if it is required to avail anything.

  • @mohammadgaeini4500
    @mohammadgaeini4500 Месяц назад

    It was very helpful. Thank you.

  • @JJayaraj-fs1di
    @JJayaraj-fs1di 2 месяца назад

    Hi. Im having a normal python dictionary which has values a list of numbers. Is there a way to convert this dictionary into a numba typed dictionary?

  • @JoseCostas-nd8np
    @JoseCostas-nd8np 2 месяца назад

    please remove this NOISE; no way to hear such poor quality.

  • @kcvinu
    @kcvinu 2 месяца назад

    I tested cython with python version 3.11. I just created a GUI library with cython and it seems a nice language and nice bridge between C and Python. But surprisingly "ctypes" ran faster than cython. Yes! I wrote the same GUI lib in Odin & C3. Then called the functions from python with ctypes. It was 2.5 times faster than cython. Both Odin & C3 are newer languages with manual memory management. Both are aiming to be alternatives to C. Due to this performance diff, I checked my cython code again and again. I realized that type conversion takes more time in Cython. But ctypes module in CPython 311 is marvelous.

  • @mmorpe
    @mmorpe 2 месяца назад

    Thanks, this was fast. Little difficult to for newcomers, but was great.

  • @rithanyabalamurali6936
    @rithanyabalamurali6936 3 месяца назад

    how to install mayavi? ,it always shows file not responding!!!

  • @maximecros4090
    @maximecros4090 3 месяца назад

    Can you implement your own manifold with geomstats ? then customize your metric and connexion or is it not possible ?

  • @xmurisfurderx
    @xmurisfurderx 3 месяца назад

    why isn't there some kind of goddamn ISO standard already

  • @zapy422
    @zapy422 3 месяца назад

    how are the dependencies managed ?

  • @user-mv3im2fi4f
    @user-mv3im2fi4f 3 месяца назад

    Comecei sem entender nada, terminei sem entender nada e mais um pouco

  • @Rohull-12345
    @Rohull-12345 3 месяца назад

    Very good❤❤❤🎉🎉🎉🎉

  • @andresfelipehiguera785
    @andresfelipehiguera785 4 месяца назад

    Easy. Desinstall Matlab, and use Python.

    • @JoelyRoley
      @JoelyRoley 21 день назад

      Okay numpty dumpty. It's "uninstall" and your programming takes are worse than your english.

    • @JoelyRoley
      @JoelyRoley 21 день назад

      You probably don't have any good reasons to uninstall matlab. Just a skill issue no doubt.

  • @AdityaBhoite-vj1lb
    @AdityaBhoite-vj1lb 4 месяца назад

    can you guys provide the materials for this tutorial, the link in the description is not working

  • @MrMate12345
    @MrMate12345 4 месяца назад

    Didn't expected to understand the (i know that very very) basics of gene expression from a NumPy tutorial. Thank you.

  • @code2compass
    @code2compass 4 месяца назад

    Ahhh such a polite teacher and the way she talk abd explain. OMG she and people like her are really a gift to our society. Stay safe, keep teaching and keep smiling. thank you

  • @convexset
    @convexset 4 месяца назад

    Useful.

  • @sandipdas7206
    @sandipdas7206 4 месяца назад

    Is nobody gonna talk about how swiftly he switched from Mac to Windows

  • @diodin8587
    @diodin8587 5 месяцев назад

    22:06 pybind11

  • @codejunkes4607
    @codejunkes4607 5 месяцев назад

    40 degrees C, where are you?

  • @mmmhorsesteaks
    @mmmhorsesteaks 5 месяцев назад

    "the posterior is what we're interested in" - brother knows what's up!

  • @AkashKumar-lr6hc
    @AkashKumar-lr6hc 5 месяцев назад

    thanks for the presentation

  • @YesSirPi314
    @YesSirPi314 5 месяцев назад

    Government using python notebooks

  • @AndrewDArcyEvans
    @AndrewDArcyEvans 5 месяцев назад

    Potentially such an interesting talk. Do you have a link without the masks and with better sound?

  • @bephrem
    @bephrem 6 месяцев назад

    great talk

  • @spinj3307
    @spinj3307 6 месяцев назад

    How is this library installed i've really never successfully installed it in all platforms that i have used

  • @pyajudeme9245
    @pyajudeme9245 6 месяцев назад

    Awesome!

  • @mattpopovich
    @mattpopovich 6 месяцев назад

    This is a very impressive demonstration. I wish it was recorded at a higher resolution. Thank you for sharing.

  • @MaskedPixel
    @MaskedPixel 6 месяцев назад

    Yup. Using this one tomorrow.

  • @alerdoballabani8322
    @alerdoballabani8322 6 месяцев назад

    Very good explanation, Unfortunately I can not access the study material.

  • @piotr780
    @piotr780 6 месяцев назад

    Tfx is useless junk😂

  • @pyajudeme9245
    @pyajudeme9245 6 месяцев назад

    Best project ever! Keep on!

  • @flowy-moe
    @flowy-moe 6 месяцев назад

    Would someone be able to share the Jupyter Notebooks? The link in the description is not working for me ...

  • @stevehageman6785
    @stevehageman6785 6 месяцев назад

    well done talk, thanks! :-)