Tag Archives: universe
#431872 AI Uses Titan Supercomputer to Create ...
You don’t have to dig too deeply into the archive of dystopian science fiction to uncover the horror that intelligent machines might unleash. The Matrix and The Terminator are probably the most well-known examples of self-replicating, intelligent machines attempting to enslave or destroy humanity in the process of building a brave new digital world.
The prospect of artificially intelligent machines creating other artificially intelligent machines took a big step forward in 2017. However, we’re far from the runaway technological singularity futurists are predicting by mid-century or earlier, let alone murderous cyborgs or AI avatar assassins.
The first big boost this year came from Google. The tech giant announced it was developing automated machine learning (AutoML), writing algorithms that can do some of the heavy lifting by identifying the right neural networks for a specific job. Now researchers at the Department of Energy’s Oak Ridge National Laboratory (ORNL), using the most powerful supercomputer in the US, have developed an AI system that can generate neural networks as good if not better than any developed by a human in less than a day.
It can take months for the brainiest, best-paid data scientists to develop deep learning software, which sends data through a complex web of mathematical algorithms. The system is modeled after the human brain and known as an artificial neural network. Even Google’s AutoML took weeks to design a superior image recognition system, one of the more standard operations for AI systems today.
Computing Power
Of course, Google Brain project engineers only had access to 800 graphic processing units (GPUs), a type of computer hardware that works especially well for deep learning. Nvidia, which pioneered the development of GPUs, is considered the gold standard in today’s AI hardware architecture. Titan, the supercomputer at ORNL, boasts more than 18,000 GPUs.
The ORNL research team’s algorithm, called MENNDL for Multinode Evolutionary Neural Networks for Deep Learning, isn’t designed to create AI systems that cull cute cat photos from the internet. Instead, MENNDL is a tool for testing and training thousands of potential neural networks to work on unique science problems.
That requires a different approach from the Google and Facebook AI platforms of the world, notes Steven Young, a postdoctoral research associate at ORNL who is on the team that designed MENNDL.
“We’ve discovered that those [neural networks] are very often not the optimal network for a lot of our problems, because our data, while it can be thought of as images, is different,” he explains to Singularity Hub. “These images, and the problems, have very different characteristics from object detection.”
AI for Science
One application of the technology involved a particle physics experiment at the Fermi National Accelerator Laboratory. Fermilab researchers are interested in understanding neutrinos, high-energy subatomic particles that rarely interact with normal matter but could be a key to understanding the early formation of the universe. One Fermilab experiment involves taking a sort of “snapshot” of neutrino interactions.
The team wanted the help of an AI system that could analyze and classify Fermilab’s detector data. MENNDL evaluated 500,000 neural networks in 24 hours. Its final solution proved superior to custom models developed by human scientists.
In another case involving a collaboration with St. Jude Children’s Research Hospital in Memphis, MENNDL improved the error rate of a human-designed algorithm for identifying mitochondria inside 3D electron microscopy images of brain tissue by 30 percent.
“We are able to do better than humans in a fraction of the time at designing networks for these sort of very different datasets that we’re interested in,” Young says.
What makes MENNDL particularly adept is its ability to define the best or most optimal hyperparameters—the key variables—to tackle a particular dataset.
“You don’t always need a big, huge deep network. Sometimes you just need a small network with the right hyperparameters,” Young says.
A Virtual Data Scientist
That’s not dissimilar to the approach of a company called H20.ai, a startup out of Silicon Valley that uses open source machine learning platforms to “democratize” AI. It applies machine learning to create business solutions for Fortune 500 companies, including some of the world’s biggest banks and healthcare companies.
“Our software is more [about] pattern detection, let’s say anti-money laundering or fraud detection or which customer is most likely to churn,” Dr. Arno Candel, chief technology officer at H2O.ai, tells Singularity Hub. “And that kind of insight-generating software is what we call AI here.”
The company’s latest product, Driverless AI, promises to deliver the data scientist equivalent of a chessmaster to its customers (the company claims several such grandmasters in its employ and advisory board). In other words, the system can analyze a raw dataset and, like MENNDL, automatically identify what features should be included in the computer model to make the most of the data based on the best “chess moves” of its grandmasters.
“So we’re using those algorithms, but we’re giving them the human insights from those data scientists, and we automate their thinking,” he explains. “So we created a virtual data scientist that is relentless at trying these ideas.”
Inside the Black Box
Not unlike how the human brain reaches a conclusion, it’s not always possible to understand how a machine, despite being designed by humans, reaches its own solutions. The lack of transparency is often referred to as the AI “black box.” Experts like Young say we can learn something about the evolutionary process of machine learning by generating millions of neural networks and seeing what works well and what doesn’t.
“You’re never going to be able to completely explain what happened, but maybe we can better explain it than we currently can today,” Young says.
Transparency is built into the “thought process” of each particular model generated by Driverless AI, according to Candel.
The computer even explains itself to the user in plain English at each decision point. There is also real-time feedback that allows users to prioritize features, or parameters, to see how the changes improve the accuracy of the model. For example, the system may include data from people in the same zip code as it creates a model to describe customer turnover.
“That’s one of the advantages of our automatic feature engineering: it’s basically mimicking human thinking,” Candel says. “It’s not just neural nets that magically come up with some kind of number, but we’re trying to make it statistically significant.”
Moving Forward
Much digital ink has been spilled over the dearth of skilled data scientists, so automating certain design aspects for developing artificial neural networks makes sense. Experts agree that automation alone won’t solve that particular problem. However, it will free computer scientists to tackle more difficult issues, such as parsing the inherent biases that exist within the data used by machine learning today.
“I think the world has an opportunity to focus more on the meaning of things and not on the laborious tasks of just fitting a model and finding the best features to make that model,” Candel notes. “By automating, we are pushing the burden back for the data scientists to actually do something more meaningful, which is think about the problem and see how you can address it differently to make an even bigger impact.”
The team at ORNL expects it can also make bigger impacts beginning next year when the lab’s next supercomputer, Summit, comes online. While Summit will boast only 4,600 nodes, it will sport the latest and greatest GPU technology from Nvidia and CPUs from IBM. That means it will deliver more than five times the computational performance of Titan, the world’s fifth-most powerful supercomputer today.
“We’ll be able to look at much larger problems on Summit than we were able to with Titan and hopefully get to a solution much faster,” Young says.
It’s all in a day’s work.
Image Credit: Gennady Danilkin / Shutterstock.com Continue reading
Posted in Human Robots
#431559 Drug Discovery AI to Scour a Universe of ...
On a dark night, away from city lights, the stars of the Milky Way can seem uncountable. Yet from any given location no more than 4,500 are visible to the naked eye. Meanwhile, our galaxy has 100–400 billion stars, and there are even more galaxies in the universe.
The numbers of the night sky are humbling. And they give us a deep perspective…on drugs.
Yes, this includes wow-the-stars-are-freaking-amazing-tonight drugs, but also the kinds of drugs that make us well again when we’re sick. The number of possible organic compounds with “drug-like” properties dwarfs the number of stars in the universe by over 30 orders of magnitude.
Next to this multiverse of possibility, the chemical configurations scientists have made into actual medicines are like the smattering of stars you’d glimpse downtown.
But for good reason.
Exploring all that potential drug-space is as humanly impossible as exploring all of physical space, and even if we could, most of what we’d find wouldn’t fit our purposes. Still, the idea that wonder drugs must surely lurk amid the multitudes is too tantalizing to ignore.
Which is why, Alex Zhavoronkov said at Singularity University’s Exponential Medicine in San Diego last week, we should use artificial intelligence to do more of the legwork and speed discovery. This, he said, could be one of the next big medical applications for AI.
Dogs, Diagnosis, and Drugs
Zhavoronkov is CEO of Insilico Medicine and CSO of the Biogerontology Research Foundation. Insilico is one of a number of AI startups aiming to accelerate drug discovery with AI.
In recent years, Zhavoronkov said, the now-famous machine learning technique, deep learning, has made progress on a number of fronts. Algorithms that can teach themselves to play games—like DeepMind’s AlphaGo Zero or Carnegie Mellon’s poker playing AI—are perhaps the most headline-grabbing of the bunch. But pattern recognition was the thing that kicked deep learning into overdrive early on, when machine learning algorithms went from struggling to tell dogs and cats apart to outperforming their peers and then their makers in quick succession.
[Watch this video for an AI update from Neil Jacobstein, chair of Artificial Intelligence and Robotics at Singularity University.]
In medicine, deep learning algorithms trained on databases of medical images can spot life-threatening disease with equal or greater accuracy than human professionals. There’s even speculation that AI, if we learn to trust it, could be invaluable in diagnosing disease. And, as Zhavoronkov noted, with more applications and a longer track record that trust is coming.
“Tesla is already putting cars on the street,” Zhavoronkov said. “Three-year, four-year-old technology is already carrying passengers from point A to point B, at 100 miles an hour, and one mistake and you’re dead. But people are trusting their lives to this technology.”
“So, why don’t we do it in pharma?”
Trial and Error and Try Again
AI wouldn’t drive the car in pharmaceutical research. It’d be an assistant that, when paired with a chemist or two, could fast-track discovery by screening more possibilities for better candidates.
There’s plenty of room to make things more efficient, according to Zhavoronkov.
Drug discovery is arduous and expensive. Chemists sift tens of thousands of candidate compounds for the most promising to synthesize. Of these, a handful will go on to further research, fewer will make it to human clinical trials, and a fraction of those will be approved.
The whole process can take many years and cost hundreds of millions of dollars.
This is a big data problem if ever there was one, and deep learning thrives on big data. Early applications have shown their worth unearthing subtle patterns in huge training databases. Although drug-makers already use software to sift compounds, such software requires explicit rules written by chemists. AI’s allure is its ability to learn and improve on its own.
“There are two strategies for AI-driven innovation in pharma to ensure you get better molecules and much faster approvals,” Zhavoronkov said. “One is looking for the needle in the haystack, and another one is creating a new needle.”
To find the needle in the haystack, algorithms are trained on large databases of molecules. Then they go looking for molecules with attractive properties. But creating a new needle? That’s a possibility enabled by the generative adversarial networks Zhavoronkov specializes in.
Such algorithms pit two neural networks against each other. One generates meaningful output while the other judges whether this output is true or false, Zhavoronkov said. Together, the networks generate new objects like text, images, or in this case, molecular structures.
“We started employing this particular technology to make deep neural networks imagine new molecules, to make it perfect right from the start. So, to come up with really perfect needles,” Zhavoronkov said. “[You] can essentially go to this [generative adversarial network] and ask it to create molecules that inhibit protein X at concentration Y, with the highest viability, specific characteristics, and minimal side effects.”
Zhavoronkov believes AI can find or fabricate more needles from the array of molecular possibilities, freeing human chemists to focus on synthesizing only the most promising. If it works, he hopes we can increase hits, minimize misses, and generally speed the process up.
Proof’s in the Pudding
Insilico isn’t alone on its drug-discovery quest, nor is it a brand new area of interest.
Last year, a Harvard group published a paper on an AI that similarly suggests drug candidates. The software trained on 250,000 drug-like molecules and used its experience to generate new molecules that blended existing drugs and made suggestions based on desired properties.
An MIT Technology Review article on the subject highlighted a few of the challenges such systems may still face. The results returned aren’t always meaningful or easy to synthesize in the lab, and the quality of these results, as always, is only as good as the data dined upon.
Stanford chemistry professor and Andreesen Horowitz partner, Vijay Pande, said that images, speech, and text—three of the areas deep learning’s made quick strides in—have better, cleaner data. Chemical data, on the other hand, is still being optimized for deep learning. Also, while there are public databases, much data still lives behind closed doors at private companies.
To overcome the challenges and prove their worth, Zhavoronkov said, his company is very focused on validating the tech. But this year, skepticism in the pharmaceutical industry seems to be easing into interest and investment.
AI drug discovery startup Exscientia inked a deal with Sanofi for $280 million and GlaxoSmithKline for $42 million. Insilico is also partnering with GlaxoSmithKline, and Numerate is working with Takeda Pharmaceutical. Even Google may jump in. According to an article in Nature outlining the field, the firm’s deep learning project, Google Brain, is growing its biosciences team, and industry watchers wouldn’t be surprised to see them target drug discovery.
With AI and the hardware running it advancing rapidly, the greatest potential may yet be ahead. Perhaps, one day, all 1060 molecules in drug-space will be at our disposal. “You should take all the data you have, build n new models, and search as much of that 1060 as possible” before every decision you make, Brandon Allgood, CTO at Numerate, told Nature.
Today’s projects need to live up to their promises, of course, but Zhavoronkov believes AI will have a big impact in the coming years, and now’s the time to integrate it. “If you are working for a pharma company, and you’re still thinking, ‘Okay, where is the proof?’ Once there is a proof, and once you can see it to believe it—it’s going to be too late,” he said.
Image Credit: Klavdiya Krinichnaya / Shutterstock.com Continue reading
Posted in Human Robots