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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.
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The brain has long inspired the design of computers and their software. Now Intel has become the latest tech company to decide that mimicking the brain’s hardware could be the next stage in the evolution of computing.
On Monday the company unveiled an experimental “neuromorphic” chip called Loihi. Neuromorphic chips are microprocessors whose architecture is configured to mimic the biological brain’s network of neurons and the connections between them called synapses.
While neural networks—the in vogue approach to artificial intelligence and machine learning—are also inspired by the brain and use layers of virtual neurons, they are still implemented on conventional silicon hardware such as CPUs and GPUs.
The main benefit of mimicking the architecture of the brain on a physical chip, say neuromorphic computing’s proponents, is energy efficiency—the human brain runs on roughly 20 watts. The “neurons” in neuromorphic chips carry out the role of both processor and memory which removes the need to shuttle data back and forth between separate units, which is how traditional chips work. Each neuron also only needs to be powered while it’s firing.
At present, most machine learning is done in data centers due to the massive energy and computing requirements. Creating chips that capture some of nature’s efficiency could allow AI to be run directly on devices like smartphones, cars, and robots.
This is exactly the kind of application Michael Mayberry, managing director of Intel’s research arm, touts in a blog post announcing Loihi. He talks about CCTV cameras that can run image recognition to identify missing persons or traffic lights that can track traffic flow to optimize timing and keep vehicles moving.
There’s still a long way to go before that happens though. According to Wired, so far Intel has only been working with prototypes, and the first full-size version of the chip won’t be built until November.
Once complete, it will feature 130,000 neurons and 130 million synaptic connections split between 128 computing cores. The device will be 1,000 times more energy-efficient than standard approaches, according to Mayberry, but more impressive are claims the chip will be capable of continuous learning.
Intel’s newly launched self-learning neuromorphic chip.
Normally deep learning works by training a neural network on giant datasets to create a model that can then be applied to new data. The Loihi chip will combine training and inference on the same chip, which will allow it to learn on the fly, constantly updating its models and adapting to changing circumstances without having to be deliberately re-trained.
A select group of universities and research institutions will be the first to get their hands on the new chip in the first half of 2018, but Mayberry said it could be years before it’s commercially available. Whether commercialization happens at all may largely depend on whether early adopters can get the hardware to solve any practically useful problems.
So far neuromorphic computing has struggled to gain traction outside the research community. IBM released a neuromorphic chip called TrueNorth in 2014, but the device has yet to showcase any commercially useful applications.
Lee Gomes summarizes the hurdles facing neuromorphic computing excellently in IEEE Spectrum. One is that deep learning can run on very simple, low-precision hardware that can be optimized to use very little power, which suggests complicated new architectures may struggle to find purchase.
It’s also not easy to transfer deep learning approaches developed on conventional chips over to neuromorphic hardware, and even Intel Labs chief scientist Narayan Srinivasa admitted to Forbes Loihi wouldn’t work well with some deep learning models.
Finally, there’s considerable competition in the quest to develop new computer architectures specialized for machine learning. GPU vendors Nvidia and AMD have pivoted to take advantage of this newfound market and companies like Google and Microsoft are developing their own in-house solutions.
Intel, for its part, isn’t putting all its eggs in one basket. Last year it bought two companies building chips for specialized machine learning—Movidius and Nervana—and this was followed up with the $15 billion purchase of self-driving car chip- and camera-maker Mobileye.
And while the jury is still out on neuromorphic computing, it makes sense for a company eager to position itself as the AI chipmaker of the future to have its fingers in as many pies as possible. There are a growing number of voices suggesting that despite its undoubted power, deep learning alone will not allow us to imbue machines with the kind of adaptable, general intelligence humans possess.
What new approaches will get us there are hard to predict, but it’s entirely possible they will only work on hardware that closely mimics the one device we already know is capable of supporting this kind of intelligence—the human brain.
Image Credit: Intel Continue reading
As Dorothy famously said in The Wizard of Oz, there’s no place like home. Home is where we go to rest and recharge. It’s familiar, comfortable, and our own. We take care of our homes by cleaning and maintaining them, and fixing things that break or go wrong.
What if our homes, on top of giving us shelter, could also take care of us in return?
According to Chris Arkenberg, this could be the case in the not-so-distant future. As part of Singularity University’s Experts On Air series, Arkenberg gave a talk called “How the Intelligent Home of The Future Will Care For You.”
Arkenberg is a research and strategy lead at Orange Silicon Valley, and was previously a research fellow at the Deloitte Center for the Edge and a visiting researcher at the Institute for the Future.
Arkenberg told the audience that there’s an evolution going on: homes are going from being smart to being connected, and will ultimately become intelligent.
Intelligent home technologies are just now budding, but broader trends point to huge potential for their growth. We as consumers already expect continuous connectivity wherever we go—what do you mean my phone won’t get reception in the middle of Yosemite? What do you mean the smart TV is down and I can’t stream Game of Thrones?
As connectivity has evolved from a privilege to a basic expectation, Arkenberg said, we’re also starting to have a better sense of what it means to give up our data in exchange for services and conveniences. It’s so easy to click a few buttons on Amazon and have stuff show up at your front door a few days later—never mind that data about your purchases gets recorded and aggregated.
“Right now we have single devices that are connected,” Arkenberg said. “Companies are still trying to show what the true value is and how durable it is beyond the hype.”
Connectivity is the basis of an intelligent home. To take a dumb object and make it smart, you get it online. Belkin’s Wemo, for example, lets users control lights and appliances wirelessly and remotely, and can be paired with Amazon Echo or Google Home for voice-activated control.
Speaking of voice-activated control, Arkenberg pointed out that physical interfaces are evolving, too, to the point that we’re actually getting rid of interfaces entirely, or transitioning to ‘soft’ interfaces like voice or gesture.
Drivers of change
Consumers are open to smart home tech and companies are working to provide it. But what are the drivers making this tech practical and affordable? Arkenberg said there are three big ones:
Computation: Computers have gotten exponentially more powerful over the past few decades. If it wasn’t for processors that could handle massive quantities of information, nothing resembling an Echo or Alexa would even be possible. Artificial intelligence and machine learning are powering these devices, and they hinge on computing power too.
Sensors: “There are more things connected now than there are people on the planet,” Arkenberg said. Market research firm Gartner estimates there are 8.4 billion connected things currently in use. Wherever digital can replace hardware, it’s doing so. Cheaper sensors mean we can connect more things, which can then connect to each other.
Data: “Data is the new oil,” Arkenberg said. “The top companies on the planet are all data-driven giants. If data is your business, though, then you need to keep finding new ways to get more and more data.” Home assistants are essentially data collection systems that sit in your living room and collect data about your life. That data in turn sets up the potential of machine learning.
Colonizing the Living Room
Alexa and Echo can turn lights on and off, and Nest can help you be energy-efficient. But beyond these, what does an intelligent home really look like?
Arkenberg’s vision of an intelligent home uses sensing, data, connectivity, and modeling to manage resource efficiency, security, productivity, and wellness.
Autonomous vehicles provide an interesting comparison: they’re surrounded by sensors that are constantly mapping the world to build dynamic models to understand the change around itself, and thereby predict things. Might we want this to become a model for our homes, too? By making them smart and connecting them, Arkenberg said, they’d become “more biological.”
There are already several products on the market that fit this description. RainMachine uses weather forecasts to adjust home landscape watering schedules. Neurio monitors energy usage, identifies areas where waste is happening, and makes recommendations for improvement.
These are small steps in connecting our homes with knowledge systems and giving them the ability to understand and act on that knowledge.
He sees the homes of the future being equipped with digital ears (in the form of home assistants, sensors, and monitoring devices) and digital eyes (in the form of facial recognition technology and machine vision to recognize who’s in the home). “These systems are increasingly able to interrogate emotions and understand how people are feeling,” he said. “When you push more of this active intelligence into things, the need for us to directly interface with them becomes less relevant.”
Could our homes use these same tools to benefit our health and wellness? FREDsense uses bacteria to create electrochemical sensors that can be applied to home water systems to detect contaminants. If that’s not personal enough for you, get a load of this: ClinicAI can be installed in your toilet bowl to monitor and evaluate your biowaste. What’s the point, you ask? Early detection of colon cancer and other diseases.
What if one day, your toilet’s biowaste analysis system could link up with your fridge, so that when you opened it it would tell you what to eat, and how much, and at what time of day?
Roadblocks to intelligence
“The connected and intelligent home is still a young category trying to establish value, but the technological requirements are now in place,” Arkenberg said. We’re already used to living in a world of ubiquitous computation and connectivity, and we have entrained expectations about things being connected. For the intelligent home to become a widespread reality, its value needs to be established and its challenges overcome.
One of the biggest challenges will be getting used to the idea of continuous surveillance. We’ll get convenience and functionality if we give up our data, but how far are we willing to go? Establishing security and trust is going to be a big challenge moving forward,” Arkenberg said.
There’s also cost and reliability, interoperability and fragmentation of devices, or conversely, what Arkenberg called ‘platform lock-on,’ where you’d end up relying on only one provider’s system and be unable to integrate devices from other brands.
Ultimately, Arkenberg sees homes being able to learn about us, manage our scheduling and transit, watch our moods and our preferences, and optimize our resource footprint while predicting and anticipating change.
“This is the really fascinating provocation of the intelligent home,” Arkenberg said. “And I think we’re going to start to see this play out over the next few years.”
Sounds like a home Dorothy wouldn’t recognize, in Kansas or anywhere else.
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