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Hi and welcome to the Neil Ashton podcast.

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In each episode,

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we explained some of the fascinating ways that science and engineering

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are changing the world around us.

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We talk to leading engineers from elite level sports like cycling and Formula One

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to some of the world's top academics.

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To understand how fluid dynamics, machine learning and supercomputing

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are bringing in a new era of discovery.

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We also hear some of their life stories, their career advice

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and lessons they've learned on the way that I hope will be helpful to you too.

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So sit back and enjoy this episode.

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Hi, and welcome back to the Neil Ashton podcast.

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Today's episode is really setting the scene for

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what are gonna be a couple of really interesting

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interviews and discussions

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with some

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world leading experts on machine learning.

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What the next month's episodes are really gonna be focusing on

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is this topic of AI for science or how artificial intelligence,

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how machine learning

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can be used to solve scientific problems

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in addition to the way that machine learning is now increasingly being used, uh,

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for generative AI for these

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large language models that you can go in

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and you can ask questions. You can generate images.

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Increasingly, you can generate short clips.

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How

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or is it possible for some of those to also solve some of the scientific problems like

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computational fluid dynamics, weather modelling, material design,

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drug discovery, et cetera,

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And I just wanted to set the scene. Really?

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Today is going to be a bit of a shorter episode, and I wanted to maybe,

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um,

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discuss some of the fundamentals in terms of why this is

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becoming interesting.

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And I'm gonna talk through the lens of Of of CFD of computational fluid dynamics,

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um such that hopefully the next few episodes when you

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listen to them with some of these world leading experts,

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uh,

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you'll get a little bit of another context because

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we may dive in straight away in those conversations.

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So I thought this one might be useful to

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to really explain some of the high level concepts. So

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the way I would say it is this.

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So let's let's look at, uh, computational fluid dynamics. Let's look at

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what the previous you know, nine episodes have essentially been about, which is

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OK. I want to design a car or a plane or a wind turbine or a jet engine.

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And, uh, I could do it physically,

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as in, you know, I could

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build it, fly it and test it, but most of the time that's too expensive.

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So so people don't do it. That's that's really left, right? You know, to the end.

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It's not really a development thing. Sorry.

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I think I've got a bit of a cold or something. So my voice is going a bit,

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Um,

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what is increasingly used more are either

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wind tunnel tests.

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So some sort of artificial environment that mimics the real world.

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But let's say in a very large warehouse where you blow air over like an object or you

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do some sort of lab test where you maybe have like a jet engine in S in,

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in inside a building which is detached from

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a plane and you do some experimental tests.

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Um,

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but even those are are are arguably still quite slow. And,

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um, limit the number of designs you can explore, and hence why?

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Simulation is so, uh, widely done now. And hence why?

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Computational fluid dynamics is this

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important area that is continues to grow in terms of its applicability.

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And that's why I constantly talk about CFD because it really is used

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in so many of the things that that you're used to doing.

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But

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if you're doing uh, CFD

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and this applies also to, let's say,

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drug discovery or weather modelling or materials design.

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Typically you're solving some, you know,

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partial differential equations using some numerical methods

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that essentially have typically,

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uh,

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a quasi linear relationship between the accuracy

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of your simulation

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and the amount of time it takes to run

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it.

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I in general and different methods have different order, uh,

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of of of computational cost versus accuracy.

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But

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you know, in general, let's say, for the simulation of a car,

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um,

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the to make it more accurate.

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I need to reduce the error in these numerical schemes by having

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um,

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less dissipation smaller digitalization to these sort of

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mesh points that you have more of them

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to be able to capture more of what's really going on.

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And as you add more of that fidelity

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in space and time,

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because most of the time these turbulent structures have a very small you know,

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time scale, and particularly true if we start getting into Multiphase and,

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uh,

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and combustion and things like that the time

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it takes you the number of iterations you

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need to run and the amount of memory and compute goes up and up and up.

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So, um, that's why high-performance computing is such an important discussion.

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It's why I kind of link them together. Fluid dynamics HPC

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because they are inherently linked.

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But the third topic

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that I mentioned, I think, in the intro to every podcast

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is machine learning.

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And that's why I wanted these next few episodes to really dive in and help

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to be honest Me, I learn every time I speak to somebody, uh,

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but also yourselves to to get this sense of why

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I think machine learning has a strong potential in this area

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of, uh, Formula One and cycling and engineering and fluid dynamics.

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So

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what I said before was, in general,

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all these simulations are getting more and more accurate,

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but they're also requiring more and more compute

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Now.

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Interestingly,

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machine learning has

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developed over the past decade,

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I would argue,

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but certainly has ramped up in the past

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23 years,

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to the point that actually,

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and I'm gonna speak it at a high level because these next um,

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interviews are gonna be the chance where we can go in a little bit deeper.

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So this this is like, I guess, the

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sort of 101 class

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they developed to the point that, in theory,

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machine learning is all essentially about inputs and outputs, isn't it?

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You know, essentially, you've got some input, some data

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that you can train

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a machine learning model, some sort of, you know, neural network, usually

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to come up with some weights, et cetera that then once it's trained,

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you can give something

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some new, unseen task

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that it can predict the output for. And to do that, you need some inputs and you need

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some outputs.

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So in the context of computational fluid dynamics,

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the inputs could be lots of cars or planes or wind turbines.

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It could be their geometries. It could be their volume measures.

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It could be a a variety of things, but essentially the inputs are usually

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the simulations of many

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cars or planes,

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or it could be

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more the same plane or the same car.

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But lots of different boundary conditions,

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so different wind speeds different your angles

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and the outputs

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could be

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their lifts and drags,

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or it could be their flow fields of the lost

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and the pressure and the nodal points on the mesh.

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And the model is essentially learning that

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link between those out inputs and outputs

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such that now because it's learned that mapping.

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I can give it an input, let's say a new car or plane

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and it can go and predict me

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that output.

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But the real reason I guess that it's so

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appealing

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is because

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that actual prediction step

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that inference step

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is essentially nearly real time

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seconds, typically less than a minute.

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And if you just focus on that pure

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imprint, step that pure prediction step

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and you say it's, let's say, worst case, let's say a minute

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a minute

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on what's often,

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uh, you know, a single GPU or even a CPU at this inference step

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compared to

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I don't know,

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um, 48 hours

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on

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1,000 CPU cores

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48 hours to a minute

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is a dramatic change, and that's why you're seeing many companies many papers

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claim

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10,000 times faster and strictly That is true. It's 10,000 times faster.

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I think if you do the maths

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now, people will say rightly so. Well, what about the time to train the model?

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Well, the time to train the model

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depending on what What methods you're using. And if you look in the literature

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is probably still in the in the hours, maybe maximum a day.

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So the training cost of time is is actually,

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um, for these sort of, um,

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methods typically not actually

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that long

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compared to the cost of a CFD simulation.

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Now I'm talking at a very high level here. I appreciate it.

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I'm just trying to set the scene. Really?

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There's nuances and there's different approaches,

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and that's what we're gonna explore over the next few episodes.

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But in general,

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the cost of training and the cost of inference

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is actually

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relatively cheap.

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The big one, of course, is you have to have the training data,

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and this is the interesting similarities and

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differences between machine learning for scientific problems

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and machine learning for, um,

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I'm not sure how you would phrase it, but for large language models,

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for the systems you use, such as ChatGPT,

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Amazon Titan, Bard or Llama models,

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in those scenarios

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the training data

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is widely available because it it's and maybe it's getting harder now.

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But previously it was simply

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scraping off the Internet lots and lots of of texts and documents, et cetera.

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Now many of these companies have signed deals

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with, um, magazines or newspapers or various other entities to get the data.

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But it's I would say, it's largely available

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and, um, not huge in size. So if you look at these models, the actual data itself is,

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you know, gigabytes or terabytes. It's not in the petabytes

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and the real cost of training these large language

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models that many of you are starting to use

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it is not the data collection per se, although there is work to do that, you know,

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labelling and preprocessing,

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but more the actual training time. So you know you might need

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4000 or 10,000 GPUs running for weeks, and this is what's driven this huge boom in AI,

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uh, chips, because the training time is so massive.

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If you contrast that with, um,

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this is why we jump into so many rabbit holes. So

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bear with me

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for many people at the moment.

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The big difference is that

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for scientific problems? Many people are not talking about

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foundational models,

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and I'll explain what I believe that stands for in a moment,

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but more that you are training a model

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each time, essentially,

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so

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the training time is for your specific 50 cars or 100 cars, or or your specific, um,

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Earth model or your specific drug discovery.

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And so the training time is actually not that much and not that expensive.

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What is the real challenge is collecting the training data

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foundational models.

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The whole point of a foundational model is it's meant to be so foundational

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that

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you should train it once essentially, and then you can just

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use it,

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with the exception being that maybe you need to fine tune it.

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But when you go and use any of these commercially available large language models,

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you are only doing a prediction step. You are not training the model.

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It has already been trained on so much data that is considered almost foundational.

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There is a current debate in the scientific community,

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but I think it's fair to say that most of the stuff that's been done

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to date

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in the scientific side, whether it's weather modelling, or CFD

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are not foundational models

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because they only work for quite a specific,

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um,

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use case that it has been trained for.

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So it's not able to predict any fluid dynamics or any weather scenario.

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It is still within the confines of a particular thing.

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One of the debates is.

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Could we build foundational models for science?

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And that's one of the topics I'll be discussing with some of my guest.

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And I'm purposely not saying the names of the, um of the guest to keep it.

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I'll I'll, I'll sort of leak that information, Um, once they're actually recorded.

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But the but the it's quite exciting,

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and I'm really pleased who I've managed to convince to

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to have a chat and share their their wisdom.

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Um,

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so

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the all of that was to essentially say, Why is it so interesting?

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It's interesting because ultimately

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the promise is that you can get a method that, once trained, can run

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in quasi real time.

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So if you are a car manufacturer, a plane manufacturer wind turbine,

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you can

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design

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and explore thousands of designs in in in minutes.

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Now that all sounds too good to be true doesn't it? Well,

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the the truth is that, um

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at the moment, there is still a, um, active debate

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on how accurate are these methods? Uh, and what can they actually do?

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So there's been lots of

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I would say fundamental work,

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and there are various start ups in the space who are claiming they can do more,

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but it's it's It's a very active area of research that,

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I would say,

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is nowhere near as mature as some of these large language models that have

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that people are using every day and you can actually see their usefulness.

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But there was a huge amount of promise.

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And so what I want to do over the next few episodes is tease in

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where these industry experts think we're at

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and and where we could go to.

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One of the things that you're probably

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thinking,

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and I just want to briefly explain and mention

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again as a context to these upcoming ones,

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is

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physics.

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When you're training these large language models,

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one of the interesting thing is that

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when it when you ask it a question, you ask it to write a sentence.

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You have not told it explicitly. What are the laws of the English language

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I If we're talking about English now, you haven't told it these. These are the AL.

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This is specifically the alphabet. These are the rules.

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These are the grammar rules.

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Instead, it's actually learned it essentially from the data.

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When it comes to,

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let's say, fluid dynamics.

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There is one argument

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that,

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and this is typically called sort of data driven approaches that

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if you give it enough data,

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it inherently learns

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the laws of physics through the data that it ingests,

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similar to how a larger language model is able to

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essentially learn the language without explicitly knowing the rules.

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And you could argue this is a little bit how a child learns

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at

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the beginning.

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They're speaking the language through sort of

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just observation through trial and error,

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without explicitly knowing the rules.

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Whereas an adult, maybe then you actually have to learn the rules.

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And that's a whole other topic, how the brain

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works.

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And anyone who learns a foreign language knows it's much harder when you're older

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to do it when you're, um, when you're younger.

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But um,

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when it comes to through dynamics,

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there is the opposite viewpoint,

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which is that?

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No, we must include somehow

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these physical laws

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in the machine learning model in the loss function

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it some mechanism

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to force it to abide by these foundational physical laws,

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the conservation of mass conservation of energy

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that we know are real and and help us.

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And that is typically what are called

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more physics driven or physics informed approaches.

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And it's very interesting debate,

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I would say still a very ongoing debate in the literature on which one of these

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is essentially the winner.

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Um, which is the most correct? Or

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is it somehow something in the middle where, um, it's a

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little bit of data, a little bit of physics?

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This, um, in my mind is very interesting,

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and it's still not clear,

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uh,

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whether it will be one of these sort of models that have

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been coming out Or is it going to be something completely different?

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So

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I hope that I've maybe just framed a little bit of what's coming.

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What really I want to tease out in the next few months is to hear from these people,

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first of all,

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where they see the current state of the art

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where

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things are going and their optimism to what a future will look like in 5 to 10 years.

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Will we ever be able to have these foundational models of science

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where we could essentially almost ask it in a prompt like fashion?

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Solve these equations and it can go off and do it

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just as I can tell it. Now write me a script that does this.

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Is it theoretically possible that if it could learn it,

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that we could actually be solving some of these fantastic problems just in

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a A you know, a few, um, types of a keyboard. It's for me. It's super fascinating one.

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And I know it divides many people.

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Some people see machine learning as just a huge hype that is marketing.

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Um I.

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I felt that way a little bit at the beginning.

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Now I'm convinced, actually that it there are huge potential changes,

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Um,

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and something that everybody should be far more aware of

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because I think it has a potentially transformative effect,

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particularly in the engineering,

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um, industry that, um just as

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computers and simulation transform the sector from the previous

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days of sort of trial and error, physically making things

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that the the question is,

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how much can machine learning bring out a new revolution in those industries?

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So, yeah,

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um,

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that's this episode. We're gonna keep it sweet. Gonna keep it short.

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And, um, please watch out, please subscribe, please.

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Like, look out at the next few interesting, uh, episodes I think you're gonna like.

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I think you're gonna learn a lot from

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And, um, I. I hope you'll join me for those. So thanks very much for listening to this

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and, uh, yeah, hopefully, uh, you'll join us for the next few ones too.

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That
