Tech for Good | Exascale Day
(plane engine roars) (upbeat music) >> They call me Dr. Goh. I'm Senior Vice President and Chief Technology Officer of AI at Hewlett Packard Enterprise. And today I'm in Munich, Germany. Home to one and a half million people. Munich is famous for everything from BMW, to beer, to breathtaking architecture and festive markets. The Bavarian capital is the beating heart of Germany's automobile industry. Over 50,000 of its residents work in automotive engineering, and to date, Munich allocated around 30 million euros to boost electric vehicles and infrastructure for them. (upbeat music) >> Hello, everyone, my name is Dr. Jerome Baudry. I am a professor at the University of Alabama in Huntsville. Our mission is to use a computational resources to accelerate the discovery of drugs that will be useful and efficient against the COVID-19 virus. On the one hand, there is this terrible crisis. And on the other hand, there is this absolutely unique and rare global effort to fight it. And that I think is a is a very positive thing. I am working with the Cray HPE machine called Sentinel. This machine is so amazing that it can actually mimic the screening of hundreds of thousands, almost millions of chemicals a day. What we take weeks, if not months, or years, we can do in a matter of a few days. And it's really the key to accelerating the discovery of new drugs, new pharmaceuticals. We are all in this together, thank you. (upbeat music) >> Hello, everyone. I'm so pleased to be here to interview Dr. Jerome Baudry, of the University of Alabama in Huntsville. >> Hello, Dr. Goh, I'm very happy to be meeting with you here, today. I have a lot of questions for you as well. And I'm looking forward to this conversation between us. >> Yes, yes, and I've got lots of COVID-19 and computational science questions lined up for you too Jerome. Yeah, so let's interview each other, then. >> Absolutely, let's do that, let's interview each other. I've got many questions for you. And , we have a lot in common and yet a lot of things we are addressing from a different point of view. So I'm very much looking forward to your ideas and insights. >> Yeah, especially now, with COVID-19, many of us will have to pivot a lot of our research and development work, to address the most current issues. I watch your video and I've seen that you're very much focused on drug discovery using super computing. The central notebook you did, I'm very excited about that. Can you tell us a bit more about how that works, yeah? >> Yes, I'd be happy to in fact, I watch your video as well manufacturing, and it's actually quite surprisingly close, what we do with drugs, and with what other people do with planes or cars or assembly lanes. we are calculating forces, on molecules, on drug candidates, when they hit parts of the viruses. And we essentially try to identify what small molecules will hit the viruses or its components, the hardest to mess with its function in a way. And that's not very different from what you're doing. What you are describing people in the industry or in the transportation industry are doing. So that's our problem, so to speak, is to deal with a lot of small molecules. Guy creating a lot of forces. That's not a main problem, our main problem is to make intelligent choices about what calculates, what kind of data should we incorporate in our calculations? And what kind of data should we give to the people who are going to do the testing? And that's really something I would like you to do to help us understand better. How do you see artificial intelligence, helping us, putting our hands on the right data to start with, in order to produce the right data and accuracy. >> Yeah, that's that's a great question. And it is a question that we've been pondering in our strategy as a company a lot recently. Because more and more now we realize that the data is being generated at the far out edge. By edge. I mean, something that's outside of the cloud and data center, right? Like, for example, a more recent COVID-19 work, doing a lot of cryo electron microscope work, right? To try and get high resolution pictures of the virus and at different angles, so creating lots of movies under electron microscope to try and create a 3D model of the virus. And we realize that's the edge, right, because that's where the microscope is, away from the data center. And massive amounts of data is generated, terabytes and terabytes of data per day generated. And we had to develop means, a workflow means to get that data off the microscope and provide pre-processing and processing, so that they can achieve results without delay. So we learned quite a few lessons there, right, especially trying to get the edge to be more intelligent, to deal with the onslaught of data coming in, from these devices. >> That's fantastic that you're saying that and that you're using this very example of cryo-EM, because that's the kind of data that feeds our computations. And indeed, we have found that it is very, very difficult to get the right cryo-EM data to us. Now we've been working with HPE supercomputer Sentinel, as you may know, for our COVID-19 work. So we have a lot of computational power. But we will be even faster and better, frankly, if we knew what kind of cryo-EM data to focus on. In fact, most of our discussions are based on not so much how to compute the forces of the molecules, which we do quite well on an HP supercomputer. But again, what cryo-EM 3D dimensional space to look at. And it's becoming almost a bottleneck. >> Have access to that. >> And we spend a lot of time, do you envision a point where AI will be able to help us, to make this kind of code almost live or at least as close to live as possible, as that that comes from the edge? How to pack it and not triage it, but prioritize it for the best possible computations on supercomputers? >> What a visionary question and desire, right? Like exactly the vision we have, right? Of course, the ultimate vision, you aim for the best, and that will be a real time stream of processed data coming off the microscope straight, providing your need, right? We are not there. Before this, we are far from there, right? But that's the aim, the ability to push more and more intelligence forward, so that by the time the data reaches you, it is what you need, right, without any further processing. And a lot of AI is applied there, particularly in cryo-EM where they do particle picking, right, they do a lot of active pictures and movies of the virus. And then what they do is, they rotate the virus a little bit, right? And then to try and figure out in all the different images in the movies, to try and pick the particles in there. And this is very much image processing that AI is very good at. So many different stages, application is made. The key thing, is to deal with the data that is flowing at this at this speed, and to get the data to you in the right form, that in time. So yes, that's the desire, right? >> It will be a game changer, really. You'll be able to get things in a matter of weeks, instead of a matter of years to the colleague who will be doing the best day. If the AI can help me learn from a calculation that didn't exactly turn out the way we want it to be, that will be very, very helpful. I can see, I can envision AI being able to, live AI to be able to really revolutionize all the process, not only from the discovery, but all the way to the clinical, to the patient, to the hospital. >> Well, that's a great point. In fact, I caught on to your term live AI. That's actually what we are trying to achieve. Although I have not used that term before. Perhaps I'll borrow it for next time. >> Oh please, by all means. >> You see, yes, we have done, I've been doing also recent work on gene expression data. So a vaccine, clinical trial, they have the blood, they get the blood from the volunteers after the first day. And then to run very, very fast AI analytics on the gene expression data that the one, the transcription data, before translation to emit amino acid. The transcription data is enormous. We're talking 30,000, 60,000 different items, transcripts, and how to use that high dimensional data to predict on day one, whether this volunteer will get an adverse event or will have a good antibody outcome, right? For efficacy. So yes, how to do it so quickly, right? To get the blood, go through an SA, right, get the transcript, and then run the analytics and AI to produce an outcome. So that's exactly what we're trying to achieve, yeah. Yes, I always emphasize that, ultimately, the doctor makes that decision. Yeah, AI only suggests based on the data, this is the likely outcome based on all the previous data that the machine has learned from, yeah. >> Oh, I agree, we wouldn't want the machine to decide the fate of the patient, but to assist the doctor or nurse making the decision that will be invaluable? And are you aware of any kind of industry that already is using this kind of live AI? And then, is there anything in, I don't know in sport or crowd control? Or is there any kind of industry? I will be curious to see who is ahead of us in terms of making this kind of a minute based decisions using AI? Yes, in fact, this is very pertinent question. We as In fact, COVID-19, lots of effort working on it, right? But now, industries and different countries are starting to work on returning to work, right, returning to their offices, returning to the factories, returning to the manufacturing plants, but yet, the employers need to reassure the employees that things, appropriate measures are taken for safety, but yet maintain privacy, right? So our Aruba organization actually developed a solution called contact location tracing inside buildings, inside factories, right? Why they built this, and needed a lot of machine learning methods in there to do very, very well, as you say, live AI right? To offer a solution? Well, let me describe the problem. The problem is, in certain countries, and certain states, certain cities where regulations require that, if someone is ill, right, you actually have to go in and disinfect the area person has been to, is a requirement. But if you don't know precisely where the ill person has been to, you actually disinfect the whole factory. And if you have that, if you do that, it becomes impractical and cost prohibitive for the company to keep operating profitably. So what they are doing today with Aruba is, that they carry this Bluetooth Low Energy tag, which is a quarter size, right? The reason they do that is, so that they extract the tag from the person, and then the system tracks, everybody, all the employees. We have one company, there's 10,000 employees, right? Tracks everybody with the tag. And if there is a person ill, immediately a floor plan is brought up with hotspots. And then you just targeted the cleaning services there. The same thing, contact tracing is also produced automatically, you could say, anybody that is come in contact with this person within two meters, and more than 15 minutes, right? It comes up the list. And we, privacy is our focused here. There's a separation between the tech and the person, on only restricted people are allowed to see the association. And then things like washrooms and all that are not tracked here. So yes, live AI, trying to make very, very quick decisions, right, because this affects people. >> Another question I have for you, if you have a minute, actually has to be the same thing. Though, it's more a question about hardware, about computer hardware purify may. We're having, we're spending a lot of time computing on number crunching giant machines, like Sentinel, for instance, which is a dream to use, but it's very good at something but when we pulled it off, also spent a lot of time moving back and forth, so data from clouds from storage, from AI processing, to the computing cycles back and forth, back and forth, did you envision an architecture, that will kind of, combine the hardware needed for a massively parallel calculations, kind of we are doing. And also very large storage, fast IO to be more AI friendly, so to speak. You see on the horizon, some kind of, I would say you need some machine, maybe it's to be determined, to be ambitious at times but something that, when the AI ahead plan in terms of passing the vector to the massively parallel side, yeah, that makes sense? >> Makes a lot of sense. And you ask it I know, because it is a tough problem to solve, as we always say, computation, right, is growing capability enormously. But bandwidth, you have to pay for, latency you sweat for, right? >> That's a very good >> So moving data is ultimately going to be the problem. >> It is. >> Yeah, and we've move the data a lot of times, right, >> You move back and forth, so many times >> Back and forth, back and forth, from the edge that's where you try to pre-process it, before you put it in storage, yeah. But then once it arrives in storage, you move it to memory to do some work and bring it back and move it memory again, right, and then that's what HPC, and then you put it back into storage, and then the AI comes in you, you do the learning, the other way around also. So lots of back and forth, right. So tough problem to solve. But more and more, we are looking at a new architecture, right? Currently, this architecture was built for the AI side first, but we're now looking and see how we can expand that. And this is that's the reason why we announced HPE Ezmeral Data Fabric. What it does is that, it takes care of the data, all the way from the edge point of view, the minute it is ingested at the edge, it is incorporated in the global namespace. So that eventually where the data arrives, lands at geographically one, or lands at, temperature, hot data, warm data or cold data, regardless of eventually where it lands at, this Data Fabric checks everything, from in a global namespace, in a unified way. So that's the first step. So that data is not seen as in different places, different pieces, it is a unified view of all the data, the minute that it does, Just start from the edge. >> I think it's important that we communicate that AI is purposed for good, A lot of sci-fi movies, unfortunately, showcase some psychotic computers or teams of evil scientists who want to take over the world. But how can we communicate better that it's a tool for a change, a tool for good? >> So key differences are I always point out is that, at least we have still judgment relative to the machine. And part of the reason we still have judgment is because our brain, logical center is automatically connected to our emotional center. So whatever our logic say is tempered by emotion, and whatever our emotion wants to act, wants to do, right, is tempered by our logic, right? But then AI machine is, many call them, artificial specific intelligence. They are just focused on that decision making and are not connected to other more culturally sensitive or emotionally sensitive type networks. They are focus networks. Although there are people trying to build them, right. That's this power, reason why with judgment, I always use the phrase, right, what's correct, is not always the right thing to do. There is a difference, right? We need to be there to be the last Judge of what's right, right? >> Yeah. >> So that says one of the the big thing, the other one, I bring up is that humans are different from machines, generally, in a sense that, we are highly subtractive. We, filter, right? Well, machine is highly accumulative today. So an AI machine they accumulate to bring in lots of data and tune the network, but our brains a few people realize, we've been working with brain researchers in our work, right? Between three and 30 years old, our brain actually goes through a pruning process of our connections. So for those of us like me after 30 it's done right. (laughs) >> Wait till you reach my age. >> Keep the brain active, because it prunes away connections you don't use, to try and conserve energy, right? I always say, remind our engineers about this point, about prunings because of energy efficiency, right? A slice of pizza drives our brain for three hours. (laughs) That's why, sometimes when I get need to get my engineers to work longer, I just offer them pizza, three more hours, >> Pizza is universal solution to our problems, absolutely. Food Indeed, indeed. There is always a need for a human consciousness. It's not just a logic, it's not like Mr. Spock in "Star Trek," who always speaks about logic but forgets the humanity aspect of it. >> Yes, yes, The connection between the the logic centers and emotional centers, >> You said it very well. Yeah, yeah and the thing is, sleep researchers are saying that when you don't get enough REM sleep, this connection is weakened. Therefore, therefore your decision making gets affected if you don't get enough sleep. So I was thinking, people do alcohol test breathalyzer test before they are allowed to operate sensitive or make sensitive decisions. Perhaps in the future, you have to check whether you have enough REM sleep before, >> It is. This COVID-19 crisis obviously problematic, and I wish it never happened, but there is something that I never experienced before is, how people are talking to each other, people like you and me, we have a lot in common. But I hear more about the industry outside of my field. And I talk a lot to people, like cryo-EM people or gene expression people, I would have gotten the data before and process it. Now, we have a dialogue across the board in all aspects of industry, science, and society. And I think that could be something wonderful that we should keep after we finally fix this bug. >> Yes. yes, yes. >> Right? >> Yes, that's that's a great point. In fact, it's something I've been thinking about, right, for employees, things have changed, because of COVID-19. But very likely, the change will continue, yeah? >> Right. Yes, yes, because there are a few positive outcomes. COVID-19 is a tough outcome. But there positive side of things, like communicating in this way, effectively. So we were part of the consortium that developed a natural language processing system in AI system that would allow you scientists to do, I can say, with the link to that website, allows you to do a query. So say, tell me the latest on the binding energy between the Sasko B2 virus like protein and the AC receptor. And then you will, it will give you a list of 10 answers, yeah? And give you a link to the papers that say, they say those answers. If you key that in today to NLP, you see 315 points -13.7 kcal per mole, which is right, I think the general consensus answer, and see a few that are highly out of out of range, right? And then when you go further, you realize those are the earlier papers. So I think this NLP system will be useful. (both chattering) I'm sorry, I didn't mean to interrupt, but I mentioned yesterday about it, because I have used that, and it's a game changer indeed, it is amazing, indeed. Many times by using this kind of intelligent conceptual, analyzes a very direct use, that indeed you guys are developing, I have found connections between facts, between clinical or pharmaceutical aspects of COVID-19. That I wasn't really aware of. So a it's a tool for creativity as well, I find it, it builds something. It just doesn't analyze what has been done, but it creates the connections, it creates a network of knowledge and intelligence. >> That's why three to 30 years old, when it stops pruning. >> I know, I know. (laughs) But our children are amazing, in that respect, they see things that we don't see anymore. they make connections that we don't necessarily think of, because we're used to seeing a certain way. And the eyes of a child, are bringing always something new, which I think is what AI could potentially bring here. So look, this is fascinating, really. >> Yes, yes, difference between filtering subtractive and the machine being accumulative. That's why I believe, the two working together, can have a stronger outcome if used properly. >> Absolutely. And I think that's how AI will be a force for good indeed. Obviously see, seems that we would have missed that would end up being very important. Well, we are very interested in or in our quest for drug discovery against COVID-19, we have been quite successful so far. We have accelerated the process by an order of magnitude. So we're having molecules that are being tested against the virus, otherwise, it would have taken maybe three or four years to get to that point. So first thing, we have been very fast. But we are very interested in natural products, that chemicals that come from plants, essentially. We found a way to mine, I don't want to say explore it, but leverage, that knowledge of hundreds of years of people documenting in a very historical way of what plants do against what diseases in different parts of the world. So that really has been a, not only very useful in our work, but a fantastic bridge to our common human history, basically. And second, yes, plants have chemicals. And of course we love chemicals. Every living cell has chemicals. The chemicals that are in plants, have been fine tuned by evolution to actually have some biological function. They are not there just to look good. They have a role in the cell. And if we're trying to come up with a new growth from scratch, which is also something we want to do, of course, then we have to engineer a function that evolution hasn't already found a solution to, for in plants, so in a way, it's also artificial intelligence. We have natural solutions to our problems, why don't we try to find them and see their work in ourselves, we're going to, and this is certainly have to reinvent the wheel each time. >> Hundreds of millions of years of evolution, >> Hundreds of millions of years. >> Many iterations, >> Yes, ending millions of different plants with all kinds of chemical diversity. So we have a lot of that, at our disposal here. If only we find the right way to analyze them, and bring them to our supercomputers, then we will, we will really leverage this humongus amount of knowledge. Instead of having to reinvent the wheel each time we want to take a car, we'll find that there are cars whose wheels already that we should be borrowing instead of, building one each time. Most of the keys are out there, if we can find them, They' re at our disposal. >> Yeah, nature has done the work after hundreds of millions of years. >> Yes. (chattering) Is to figure out, which is it, yeah? Exactly, exactly hence the importance of biodiversity. >> Yeah, I think this is related to the Knowledge Graph, right? Where, yes, to objects and the linking parameter, right? And then you have hundreds of millions of these right? A chemical to an outcome and the link to it, right? >> Yes, that's exactly what it is, absolutely the kind of things we're pursuing very much, so absolutely. >> Not only only building the graph, but building the dynamics of the graph, In the future, if you eat too much Creme Brulee, or if you don't run enough, or if you sleep, well, then your cells, will have different connections on this graph of the ages, will interact with that molecule in a different way than if you had more sleep or didn't eat that much Creme Brulee or exercise a bit more, >> So insightful, Dr. Baudry. Your, span of knowledge, right, impressed me. And it's such fascinating talking to you. (chattering) Hopefully next time, when we get together, we'll have a bit of Creme Brulee together. >> Yes, let's find out scientifically what it does, we have to do double blind and try three times to make sure we get the right statistics. >> Three phases, three clinical trial phases, right? >> It's been a pleasure talking to you. I like we agreed, you knows this, for all that COVID-19 problems, the way that people talk to each other is, I think the things that I want to keep in this in our post COVID-19 world. I appreciate very much your insight and it's very encouraging the way you see things. So let's make it happen. >> We will work together Dr.Baudry, hope to see you soon, in person. >> Indeed in person, yes. Thank you. >> Thank you, good talking to you.
SUMMARY :
and to date, Munich allocated And it's really the key to of the University of to be meeting with you here, today. for you too Jerome. of things we are addressing address the most current issues. the hardest to mess with of the virus. forces of the molecules, and to get the data to you out the way we want it In fact, I caught on to your term live AI. And then to run very, the employers need to reassure has to be the same thing. to solve, as we always going to be the problem. and forth, from the edge to take over the world. is not always the right thing to do. So that says one of the the big thing, Keep the brain active, because but forgets the humanity aspect of it. Perhaps in the future, you have to check And I talk a lot to changed, because of COVID-19. So say, tell me the latest That's why three to 30 years And the eyes of a child, and the machine being accumulative. And of course we love chemicals. Most of the keys are out there, Yeah, nature has done the work Is to figure out, which is it, yeah? it is, absolutely the kind And it's such fascinating talking to you. to make sure we get the right statistics. the way you see things. hope to see you soon, in person. Indeed in person, yes.
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