Tag Archives: viral
#437171 Scientists Tap the World’s Most ...
In The Hitchhiker’s Guide to the Galaxy by Douglas Adams, the haughty supercomputer Deep Thought is asked whether it can find the answer to the ultimate question concerning life, the universe, and everything. It replies that, yes, it can do it, but it’s tricky and it’ll have to think about it. When asked how long it will take it replies, “Seven-and-a-half million years. I told you I’d have to think about it.”
Real-life supercomputers are being asked somewhat less expansive questions but tricky ones nonetheless: how to tackle the Covid-19 pandemic. They’re being used in many facets of responding to the disease, including to predict the spread of the virus, to optimize contact tracing, to allocate resources and provide decisions for physicians, to design vaccines and rapid testing tools, and to understand sneezes. And the answers are needed in a rather shorter time frame than Deep Thought was proposing.
The largest number of Covid-19 supercomputing projects involves designing drugs. It’s likely to take several effective drugs to treat the disease. Supercomputers allow researchers to take a rational approach and aim to selectively muzzle proteins that SARS-CoV-2, the virus that causes Covid-19, needs for its life cycle.
The viral genome encodes proteins needed by the virus to infect humans and to replicate. Among these are the infamous spike protein that sniffs out and penetrates its human cellular target, but there are also enzymes and molecular machines that the virus forces its human subjects to produce for it. Finding drugs that can bind to these proteins and stop them from working is a logical way to go.
The Summit supercomputer at Oak Ridge National Laboratory has a peak performance of 200,000 trillion calculations per second—equivalent to about a million laptops. Image credit: Oak Ridge National Laboratory, U.S. Dept. of Energy, CC BY
I am a molecular biophysicist. My lab, at the Center for Molecular Biophysics at the University of Tennessee and Oak Ridge National Laboratory, uses a supercomputer to discover drugs. We build three-dimensional virtual models of biological molecules like the proteins used by cells and viruses, and simulate how various chemical compounds interact with those proteins. We test thousands of compounds to find the ones that “dock” with a target protein. Those compounds that fit, lock-and-key style, with the protein are potential therapies.
The top-ranked candidates are then tested experimentally to see if they indeed do bind to their targets and, in the case of Covid-19, stop the virus from infecting human cells. The compounds are first tested in cells, then animals, and finally humans. Computational drug discovery with high-performance computing has been important in finding antiviral drugs in the past, such as the anti-HIV drugs that revolutionized AIDS treatment in the 1990s.
World’s Most Powerful Computer
Since the 1990s the power of supercomputers has increased by a factor of a million or so. Summit at Oak Ridge National Laboratory is presently the world’s most powerful supercomputer, and has the combined power of roughly a million laptops. A laptop today has roughly the same power as a supercomputer had 20-30 years ago.
However, in order to gin up speed, supercomputer architectures have become more complicated. They used to consist of single, very powerful chips on which programs would simply run faster. Now they consist of thousands of processors performing massively parallel processing in which many calculations, such as testing the potential of drugs to dock with a pathogen or cell’s proteins, are performed at the same time. Persuading those processors to work together harmoniously is a pain in the neck but means we can quickly try out a lot of chemicals virtually.
Further, researchers use supercomputers to figure out by simulation the different shapes formed by the target binding sites and then virtually dock compounds to each shape. In my lab, that procedure has produced experimentally validated hits—chemicals that work—for each of 16 protein targets that physician-scientists and biochemists have discovered over the past few years. These targets were selected because finding compounds that dock with them could result in drugs for treating different diseases, including chronic kidney disease, prostate cancer, osteoporosis, diabetes, thrombosis and bacterial infections.
Scientists are using supercomputers to find ways to disable the various proteins—including the infamous spike protein (green protrusions)—produced by SARS-CoV-2, the virus responsible for Covid-19. Image credit: Thomas Splettstoesser scistyle.com, CC BY-ND
Billions of Possibilities
So which chemicals are being tested for Covid-19? A first approach is trying out drugs that already exist for other indications and that we have a pretty good idea are reasonably safe. That’s called “repurposing,” and if it works, regulatory approval will be quick.
But repurposing isn’t necessarily being done in the most rational way. One idea researchers are considering is that drugs that work against protein targets of some other virus, such as the flu, hepatitis or Ebola, will automatically work against Covid-19, even when the SARS-CoV-2 protein targets don’t have the same shape.
Our own work has now expanded to about 10 targets on SARS-CoV-2, and we’re also looking at human protein targets for disrupting the virus’s attack on human cells. Top-ranked compounds from our calculations are being tested experimentally for activity against the live virus. Several of these have already been found to be active.The best approach is to check if repurposed compounds will actually bind to their intended target. To that end, my lab published a preliminary report of a supercomputer-driven docking study of a repurposing compound database in mid-February. The study ranked 8,000 compounds in order of how well they bind to the viral spike protein. This paper triggered the establishment of a high-performance computing consortium against our viral enemy, announced by President Trump in March. Several of our top-ranked compounds are now in clinical trials.
Also, we and others are venturing out into the wild world of new drug discovery for Covid-19—looking for compounds that have never been tried as drugs before. Databases of billions of these compounds exist, all of which could probably be synthesized in principle but most of which have never been made. Billion-compound docking is a tailor-made task for massively parallel supercomputing.
Dawn of the Exascale Era
Work will be helped by the arrival of the next big machine at Oak Ridge, called Frontier, planned for next year. Frontier should be about 10 times more powerful than Summit. Frontier will herald the “exascale” supercomputing era, meaning machines capable of 1,000,000,000,000,000,000 calculations per second.
Although some fear supercomputers will take over the world, for the time being, at least, they are humanity’s servants, which means that they do what we tell them to. Different scientists have different ideas about how to calculate which drugs work best—some prefer artificial intelligence, for example—so there’s quite a lot of arguing going on.
Hopefully, scientists armed with the most powerful computers in the world will, sooner rather than later, find the drugs needed to tackle Covid-19. If they do, then their answers will be of more immediate benefit, if less philosophically tantalizing, than the answer to the ultimate question provided by Deep Thought, which was, maddeningly, simply 42.
This article is republished from The Conversation under a Creative Commons license. Read the original article.
Image credit: NIH/NIAID Continue reading
#436167 Is it Time for Tech to Stop Moving Fast ...
On Monday, I attended the 2019 Fall Conference of Stanford’s Institute for Human Centered Artificial Intelligence (HAI). That same night I watched the Season 6 opener for the HBO TV show Silicon Valley. And the debates featured in both surrounded the responsibility of tech companies for the societal effects of the technologies they produce. The two events have jumbled together in my mind, perhaps because I was in a bit of a brain fog, thanks to the nasty combination of a head cold and the smoke that descended on Silicon Valley from the northern California wildfires. But perhaps that mixture turned out to be a good thing.
What is clear, in spite of the smoke, is that this issue is something a lot of people are talking about, inside and outside of Silicon Valley (witness the viral video of Rep. Alexandria Ocasio-Cortez (D-NY) grilling Facebook CEO Mark Zuckerberg).
So, to add to that conversation, here’s my HBO Silicon Valley/Stanford HAI conference mashup.
Silicon Valley’s fictional CEO Richard Hendriks, in the opening scene of the episode, tells Congress that Facebook, Google, and Amazon only care about exploiting personal data for profit. He states:
“These companies are kings, and they rule over kingdoms far larger than any nation in history.”
Meanwhile Marietje Schaake, former member of the European Parliament and a fellow at HAI, told the conference audience of 900:
“There is a lot of power in the hands of few actors—Facebook decides who is a news source, Microsoft will run the defense department’s cloud…. I believe we need a deeper debate about which tasks need to stay in the hands of the public.”
Eric Schmidt, former CEO and executive chairman of Google, agreed. He says:
“It is important that we debate now the ethics of what we are doing, and the impact of the technology that we are building.”
Stanford Associate Professor Ge Wang, also speaking at the HAI conference, pointed out:
“‘Doing no harm’ is a vital goal, and it is not easy. But it is different from a proactive goal, to ‘do good.’”
Had Silicon Valley’s Hendricks been there, he would have agreed. He said in the episode:
“Just because it’s successful, doesn’t mean it’s good. Hiroshima was a successful implementation.”
The speakers at the HAI conference discussed the implications of moving fast and breaking things, of putting untested and unregulated technology into the world now that we know that things like public trust and even democracy can be broken.
Google’s Schmidt told the HAI audience:
“I don’t think that everything that is possible should be put into the wild in society, we should answer the question, collectively, how much risk are we willing to take.
And Silicon Valley denizens real and fictional no longer think it’s OK to just say sorry afterwards. Says Schmidt:
“When you ask Facebook about various scandals, how can they still say ‘We are very sorry; we have a lot of learning to do.’ This kind of naiveté stands out of proportion to the power tech companies have. With great power should come great responsibility, or at least modesty.”
Schaake argued:
“We need more guarantees, institutions, and policies than stated good intentions. It’s about more than promises.”
Fictional CEO Hendricks thinks saying sorry is a cop-out as well. In the episode, a developer admits that his app collected user data in spite of Hendricks assuring Congress that his company doesn’t do that:
“You didn’t know at the time,” the developer says. “Don’t beat yourself up about it. But in the future, stop saying it. Or don’t; I don’t care. Maybe it will be like Google saying ‘Don’t be evil,’ or Facebook saying ‘I’m sorry, we’ll do better.’”
Hendricks doesn’t buy it:
“This stops now. I’m the boss, and this is over.”
(Well, he is fictional.)
How can government, the tech world, and the general public address this in a more comprehensive way? Out in the real world, the “what to do” discussion at Stanford HAI surrounded regulation—how much, what kind, and when.
Says the European Parliament’s Schaake:
“An often-heard argument is that government should refrain from regulating tech because [regulation] will stifle innovation. [That argument] implies that innovation is more important than democracy or the rule of law. Our problems don’t stem from over regulation, but under regulation of technologies.”
But when should that regulation happen. Stanford provost emeritus John Etchemendy, speaking from the audience at the HAI conference, said:
“I’ve been an advocate of not trying to regulate before you understand it. Like San Francisco banning of use of facial recognition is not a good example of regulation; there are uses of facial recognition that we should allow. We want regulations that are just right, that prevent the bad things and allow the good things. So we are going to get it wrong either way, if we regulate to soon or hold off, we will get some things wrong.”
Schaake would opt for regulating sooner rather than later. She says that she often hears the argument that it is too early to regulate artificial intelligence—as well as the argument that it is too late to regulate ad-based political advertising, or online privacy. Neither, to her, makes sense. She told the HAI attendees:
“We need more than guarantees than stated good intentions.”
U.S. Chief Technology Officer Michael Kratsios would go with later rather than sooner. (And, yes, the country has a CTO. President Barack Obama created the position in 2009; Kratsios is the fourth to hold the office and the first under President Donald Trump. He was confirmed in August.) Also speaking at the HAI conference, Kratsios argued:
“I don’t think we should be running to regulate anything. We are a leader [in technology] not because we had great regulations, but we have taken a free market approach. We have done great in driving innovation in technologies that are born free, like the Internet. Technologies born in captivity, like autonomous vehicles, lag behind.”
In the fictional world of HBO’s Silicon Valley, startup founder Hendricks has a solution—a technical one of course: the decentralized Internet. He tells Congress:
“The way we win is by creating a new, decentralized Internet, one where the behavior of companies like this will be impossible, forever. Where it is the users, not the kings, who have sovereign control over their data. I will help you build an Internet that is of the people, by the people, and for the people.”
(This is not a fictional concept, though it is a long way from wide use. Also called the decentralized Web, the concept takes the content on today’s Web and fragments it, and then replicates and scatters those fragments to hosts around the world, increasing privacy and reducing the ability of governments to restrict access.)
If neither regulation nor technology comes to make the world safe from the unforeseen effects of new technologies, there is one more hope, according to Schaake: the millennials and subsequent generations.
Tech companies can no longer pursue growth at all costs, not if they want to keep attracting the talent they need, says Schaake. She noted that, “the young generation looks at the environment, at homeless on the streets,” and they expect their companies to tackle those and other issues and make the world a better place. Continue reading
#435748 Video Friday: This Robot Is Like a ...
Video Friday is your weekly selection of awesome robotics videos, collected by your Automaton bloggers. We’ll also be posting a weekly calendar of upcoming robotics events for the next few months; here’s what we have so far (send us your events!):
RSS 2019 – June 22-26, 2019 – Freiburg, Germany
Hamlyn Symposium on Medical Robotics – June 23-26, 2019 – London, U.K.
ETH Robotics Summer School – June 27-1, 2019 – Zurich, Switzerland
MARSS 2019 – July 1-5, 2019 – Helsinki, Finland
ICRES 2019 – July 29-30, 2019 – London, U.K.
DARPA SubT Tunnel Circuit – August 15-22, 2019 – Pittsburgh, Pa., USA
Let us know if you have suggestions for next week, and enjoy today’s videos.
It’s been a while since we last spoke to Joe Jones, the inventor of Roomba, about his solar-powered, weed-killing robot, called Tertill, which he was launching as a Kickstarter project. Tertill is now available for purchase (US $300) and is shipping right now.
[ Tertill ]
Usually, we don’t post videos that involve drone use that looks to be either illegal or unsafe. These flights over the protests in Hong Kong are almost certainly both. However, it’s also a unique perspective on the scale of these protests.
[ Team BlackSheep ]
ICYMI: iRobot announced this week that it has acquired Root Robotics.
[ iRobot ]
This Boston Dynamics parody video went viral this week.
The CGI is good but the gratuitous violence—even if it’s against a fake robot—is a bit too much?
This is still our favorite Boston Dynamics parody video:
[ Corridor ]
Biomedical Engineering Department Head Bin He and his team have developed the first-ever successful non-invasive mind-controlled robotic arm to continuously track a computer cursor.
[ CMU ]
Organic chemists, prepare to meet your replacement:
Automated chemical synthesis carries great promises of safety, efficiency and reproducibility for both research and industry laboratories. Current approaches are based on specifically-designed automation systems, which present two major drawbacks: (i) existing apparatus must be modified to be integrated into the automation systems; (ii) such systems are not flexible and would require substantial re-design to handle new reactions or procedures. In this paper, we propose a system based on a robot arm which, by mimicking the motions of human chemists, is able to perform complex chemical reactions without any modifications to the existing setup used by humans. The system is capable of precise liquid handling, mixing, filtering, and is flexible: new skills and procedures could be added with minimum effort. We show that the robot is able to perform a Michael reaction, reaching a yield of 34%, which is comparable to that obtained by a junior chemist (undergraduate student in Chemistry).
[ arXiv ] via [ NTU ]
So yeah, ICRA 2019 was huge and awesome. Here are some brief highlights.
[ Montreal Gazette ]
For about US $5, this drone will deliver raw meat and beer to you if you live on an uninhabited island in Tokyo Bay.
[ Nikkei ]
The Smart Microsystems Lab at Michigan State University has a new version of their Autonomous Surface Craft. It’s autonomous, open source, and awfully hard to sink.
[ SML ]
As drone shows go, this one is pretty good.
[ CCTV ]
Here’s a remote controlled robot shooting stuff with a very large gun.
[ HDT ]
Over a period of three quarters (September 2018 thru May 2019), we’ve had the opportunity to work with five graduating University of Denver students as they brought their idea for a Misty II arm extension to life.
[ Misty Robotics ]
If you wonder how it looks to inspect burners and superheaters of a boiler with an Elios 2, here you are! This inspection was performed by Svenska Elektrod in a peat-fired boiler for Vattenfall in Sweden. Enjoy!
[ Flyability ]
The newest Soft Robotics technology, mGrip mini fingers, made for tight spaces, small packaging, and delicate items, giving limitless opportunities for your applications.
[ Soft Robotics ]
What if legged robots were able to generate dynamic motions in real-time while interacting with a complex environment? Such technology would represent a significant step forward the deployment of legged systems in real world scenarios. This means being able to replace humans in the execution of dangerous tasks and to collaborate with them in industrial applications.
This workshop aims to bring together researchers from all the relevant communities in legged locomotion such as: numerical optimization, machine learning (ML), model predictive control (MPC) and computational geometry in order to chart the most promising methods to address the above-mentioned scientific challenges.
[ Num Opt Wkshp ]
Army researchers teamed with the U.S. Marine Corps to fly and test 3-D printed quadcopter prototypes a the Marine Corps Air Ground Combat Center in 29 Palms, California recently.
[ CCDC ARL ]
Lex Fridman’s Artificial Intelligence podcast featuring Rosalind Picard.
[ AI Podcast ]
In this week’s episode of Robots in Depth, per speaks with Christian Guttmann, executive director of the Nordic AI Artificial Intelligence Institute.
Christian Guttmann talks about AI and wanting to understand intelligence enough to recreate it. Christian has be focusing on AI in healthcare and has recently started to communicate the opportunities and challenges in artificial intelligence to the general public. This is something that the host Per Sjöborg is also very passionate about. We also get to hear about the Nordic AI institute and the work it does to inform all parts of society about AI.
[ Robots in Depth ] Continue reading