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#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.
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#431414 This Week’s Awesome Stories From ...

QUANTUM COMPUTING IBM Raises the Bar With a 50-Qubit Quantum ComputerWill Knight | MIT Technology Review “50 qubits is a significant landmark in progress toward practical quantum computers. Other systems built so far have had limited capabilities and could perform only calculations that could also be done on a conventional supercomputer. A 50-qubit machine can do things that are extremely difficult to simulate without quantum technology.”
ARTIFICIAL INTELLIGENCE AI Startup Embodied Intelligence Wants Robots to Learn From Humans in Virtual RealityEvan Ackerman | IEEE Spectrum “This is a defining problem for robotics right now: Robots can do anything you want, as long as you tell them exactly what that is, every single time… This week, Abbeel and several of his colleagues from UC Berkeley and OpenAI are announcing a new startup (with US $7 million in seed funding) called Embodied Intelligence, which will ‘enable industrial robot arms to perceive and act like humans instead of just strictly following pre-programmed trajectories.’”
TRANSPORTATION Uber’s Plan to Launch Flying Cars in LA by 2020 Really Could Take OffJack Stewart | Wired“After grabbing an elevator, passengers will tap their phones to pass through a turnstile and access the roof. Presumably they’ve been prescreened, because there’s no airport-style security in evidence. An agent in an orange vest takes a group of four passengers out to the waiting aircraft. There’s a pilot up front, and a small overhead display with the estimated arrival time.”
ROBOTICS This Robot Swarm Finishes Your Grocery Shopping in MinutesJesus Diaz | Fast Company “At an Ocado warehouse in the English town of Andover, a swarm of 1,000 robots races over a grid the size of a soccer field, filling orders and replacing stock. The new system, which went live earlier this year, can fulfill a 50-item order in under five minutes—something that used to take about two hours at human-only facilities. It’s been so successful that Ocado is now building a new warehouse that’s three times larger in Erith, southeast of London.”
BIOTECH Meet the Scientists Building a Library of Designer DrugsAngela Chen | The Verge“One of the most prominent categories of designer drugs are those intended to mimic marijuana, called synthetic cannabinoids. Marijuana, or cannabis, is widely considered one of the safest drugs, but synthetic cannabinoids are some of the most dangerous synthetic drugs.”
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#431392 What AI Can Now Do Is Remarkable—But ...

Major websites all over the world use a system called CAPTCHA to verify that someone is indeed a human and not a bot when entering data or signing into an account. CAPTCHA stands for the “Completely Automated Public Turing test to tell Computers and Humans Apart.” The squiggly letters and numbers, often posted against photographs or textured backgrounds, have been a good way to foil hackers. They are annoying but effective.
The days of CAPTCHA as a viable line of defense may, however, be numbered.
Researchers at Vicarious, a Californian artificial intelligence firm funded by Amazon founder Jeff Bezos and Facebook’s Mark Zuckerberg, have just published a paper documenting how they were able to defeat CAPTCHA using new artificial intelligence techniques. Whereas today’s most advanced artificial intelligence (AI) technologies use neural networks that require massive amounts of data to learn from, sometimes millions of examples, the researchers said their system needed just five training steps to crack Google’s reCAPTCHA technology. With this, they achieved a 67 percent success rate per character—reasonably close to the human accuracy rate of 87 percent. In answering PayPal and Yahoo CAPTCHAs, the system achieved an accuracy rate of greater than 50 percent.
The CAPTCHA breakthrough came hard on the heels of another major milestone from Google’s DeepMind team, the people who built the world’s best Go-playing system. DeepMind built a new artificial-intelligence system called AlphaGo Zero that taught itself to play the game at a world-beating level with minimal training data, mainly using trial and error—in a fashion similar to how humans learn.
Both playing Go and deciphering CAPTCHAs are clear examples of what we call narrow AI, which is different from artificial general intelligence (AGI)—the stuff of science fiction. Remember R2-D2 of Star Wars, Ava from Ex Machina, and Samantha from Her? They could do many things and learned everything they needed on their own.
Narrow AI technologies are systems that can only perform one specific type of task. For example, if you asked AlphaGo Zero to learn to play Monopoly, it could not, even though that is a far less sophisticated game than Go. If you asked the CAPTCHA cracker to learn to understand a spoken phrase, it would not even know where to start.
To date, though, even narrow AI has been difficult to build and perfect. To perform very elementary tasks such as determining whether an image is of a cat or a dog, the system requires the development of a model that details exactly what is being analyzed and massive amounts of data with labeled examples of both. The examples are used to train the AI systems, which are modeled on the neural networks in the brain, in which the connections between layers of neurons are adjusted based on what is observed. To put it simply, you tell an AI system exactly what to learn, and the more data you give it, the more accurate it becomes.
The methods that Vicarious and Google used were different; they allowed the systems to learn on their own, albeit in a narrow field. By making their own assumptions about what the training model should be and trying different permutations until they got the right results, they were able to teach themselves how to read the letters in a CAPTCHA or to play a game.
This blurs the line between narrow AI and AGI and has broader implications in robotics and virtually any other field in which machine learning in complex environments may be relevant.
Beyond visual recognition, the Vicarious breakthrough and AlphaGo Zero success are encouraging scientists to think about how AIs can learn to do things from scratch. And this brings us one step closer to coexisting with classes of AIs and robots that can learn to perform new tasks that are slight variants on their previous tasks—and ultimately the AGI of science fiction.
So R2-D2 may be here sooner than we expected.
This article was originally published by The Washington Post. Read the original article here.
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#431389 Tech Is Becoming Emotionally ...

Many people get frustrated with technology when it malfunctions or is counterintuitive. The last thing people might expect is for that same technology to pick up on their emotions and engage with them differently as a result.
All of that is now changing. Computers are increasingly able to figure out what we’re feeling—and it’s big business.
A recent report predicts that the global affective computing market will grow from $12.2 billion in 2016 to $53.98 billion by 2021. The report by research and consultancy firm MarketsandMarkets observed that enabling technologies have already been adopted in a wide range of industries and noted a rising demand for facial feature extraction software.
Affective computing is also referred to as emotion AI or artificial emotional intelligence. Although many people are still unfamiliar with the category, researchers in academia have already discovered a multitude of uses for it.
At the University of Tokyo, Professor Toshihiko Yamasaki decided to develop a machine learning system that evaluates the quality of TED Talk videos. Of course, a TED Talk is only considered to be good if it resonates with a human audience. On the surface, this would seem too qualitatively abstract for computer analysis. But Yamasaki wanted his system to watch videos of presentations and predict user impressions. Could a machine learning system accurately evaluate the emotional persuasiveness of a speaker?
Yamasaki and his colleagues came up with a method that analyzed correlations and “multimodal features including linguistic as well as acoustic features” in a dataset of 1,646 TED Talk videos. The experiment was successful. The method obtained “a statistically significant macro-average accuracy of 93.3 percent, outperforming several competitive baseline methods.”
A machine was able to predict whether or not a person would emotionally connect with other people. In their report, the authors noted that these findings could be used for recommendation purposes and also as feedback to the presenters, in order to improve the quality of their public presentation. However, the usefulness of affective computing goes far beyond the way people present content. It may also transform the way they learn it.
Researchers from North Carolina State University explored the connection between students’ affective states and their ability to learn. Their software was able to accurately predict the effectiveness of online tutoring sessions by analyzing the facial expressions of participating students. The software tracked fine-grained facial movements such as eyebrow raising, eyelid tightening, and mouth dimpling to determine engagement, frustration, and learning. The authors concluded that “analysis of facial expressions has great potential for educational data mining.”
This type of technology is increasingly being used within the private sector. Affectiva is a Boston-based company that makes emotion recognition software. When asked to comment on this emerging technology, Gabi Zijderveld, chief marketing officer at Affectiva, explained in an interview for this article, “Our software measures facial expressions of emotion. So basically all you need is our software running and then access to a camera so you can basically record a face and analyze it. We can do that in real time or we can do this by looking at a video and then analyzing data and sending it back to folks.”
The technology has particular relevance for the advertising industry.
Zijderveld said, “We have products that allow you to measure how consumers or viewers respond to digital content…you could have a number of people looking at an ad, you measure their emotional response so you aggregate the data and it gives you insight into how well your content is performing. And then you can adapt and adjust accordingly.”
Zijderveld explained that this is the first market where the company got traction. However, they have since packaged up their core technology in software development kits or SDKs. This allows other companies to integrate emotion detection into whatever they are building.
By licensing its technology to others, Affectiva is now rapidly expanding into a wide variety of markets, including gaming, education, robotics, and healthcare. The core technology is also used in human resources for the purposes of video recruitment. The software analyzes the emotional responses of interviewees, and that data is factored into hiring decisions.
Richard Yonck is founder and president of Intelligent Future Consulting and the author of a book about our relationship with technology. “One area I discuss in Heart of the Machine is the idea of an emotional economy that will arise as an ecosystem of emotionally aware businesses, systems, and services are developed. This will rapidly expand into a multi-billion-dollar industry, leading to an infrastructure that will be both emotionally responsive and potentially exploitive at personal, commercial, and political levels,” said Yonck, in an interview for this article.
According to Yonck, these emotionally-aware systems will “better anticipate needs, improve efficiency, and reduce stress and misunderstandings.”
Affectiva is uniquely positioned to profit from this “emotional economy.” The company has already created the world’s largest emotion database. “We’ve analyzed a little bit over 4.7 million faces in 75 countries,” said Zijderveld. “This is data first and foremost, it’s data gathered with consent. So everyone has opted in to have their faces analyzed.”
The vastness of that database is essential for deep learning approaches. The software would be inaccurate if the data was inadequate. According to Zijderveld, “If you don’t have massive amounts of data of people of all ages, genders, and ethnicities, then your algorithms are going to be pretty biased.”
This massive database has already revealed cultural insights into how people express emotion. Zijderveld explained, “Obviously everyone knows that women are more expressive than men. But our data confirms that, but not only that, it can also show that women smile longer. They tend to smile more often. There’s also regional differences.”
Yonck believes that affective computing will inspire unimaginable forms of innovation and that change will happen at a fast pace.
He explained, “As businesses, software, systems, and services develop, they’ll support and make possible all sorts of other emotionally aware technologies that couldn’t previously exist. This leads to a spiral of increasingly sophisticated products, just as happened in the early days of computing.”
Those who are curious about affective technology will soon be able to interact with it.
Hubble Connected unveiled the Hubble Hugo at multiple trade shows this year. Hugo is billed as “the world’s first smart camera,” with emotion AI video analytics powered by Affectiva. The product can identify individuals, figure out how they’re feeling, receive voice commands, video monitor your home, and act as a photographer and videographer of events. Media can then be transmitted to the cloud. The company’s website describes Hugo as “a fun pal to have in the house.”
Although he sees the potential for improved efficiencies and expanding markets, Richard Yonck cautions that AI technology is not without its pitfalls.
“It’s critical that we understand we are headed into very unknown territory as we develop these systems, creating problems unlike any we’ve faced before,” said Yonck. “We should put our focus on ensuring AI develops in a way that represents our human values and ideals.”
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#431385 Here’s How to Get to Conscious ...

“We cannot be conscious of what we are not conscious of.” – Julian Jaynes, The Origin of Consciousness in the Breakdown of the Bicameral Mind
Unlike the director leads you to believe, the protagonist of Ex Machina, Andrew Garland’s 2015 masterpiece, isn’t Caleb, a young programmer tasked with evaluating machine consciousness. Rather, it’s his target Ava, a breathtaking humanoid AI with a seemingly child-like naïveté and an enigmatic mind.
Like most cerebral movies, Ex Machina leaves the conclusion up to the viewer: was Ava actually conscious? In doing so, it also cleverly avoids a thorny question that has challenged most AI-centric movies to date: what is consciousness, and can machines have it?
Hollywood producers aren’t the only people stumped. As machine intelligence barrels forward at breakneck speed—not only exceeding human performance on games such as DOTA and Go, but doing so without the need for human expertise—the question has once more entered the scientific mainstream.
Are machines on the verge of consciousness?
This week, in a review published in the prestigious journal Science, cognitive scientists Drs. Stanislas Dehaene, Hakwan Lau and Sid Kouider of the Collège de France, University of California, Los Angeles and PSL Research University, respectively, argue: not yet, but there is a clear path forward.
The reason? Consciousness is “resolutely computational,” the authors say, in that it results from specific types of information processing, made possible by the hardware of the brain.
There is no magic juice, no extra spark—in fact, an experiential component (“what is it like to be conscious?”) isn’t even necessary to implement consciousness.
If consciousness results purely from the computations within our three-pound organ, then endowing machines with a similar quality is just a matter of translating biology to code.
Much like the way current powerful machine learning techniques heavily borrow from neurobiology, the authors write, we may be able to achieve artificial consciousness by studying the structures in our own brains that generate consciousness and implementing those insights as computer algorithms.
From Brain to Bot
Without doubt, the field of AI has greatly benefited from insights into our own minds, both in form and function.
For example, deep neural networks, the architecture of algorithms that underlie AlphaGo’s breathtaking sweep against its human competitors, are loosely based on the multi-layered biological neural networks that our brain cells self-organize into.
Reinforcement learning, a type of “training” that teaches AIs to learn from millions of examples, has roots in a centuries-old technique familiar to anyone with a dog: if it moves toward the right response (or result), give a reward; otherwise ask it to try again.
In this sense, translating the architecture of human consciousness to machines seems like a no-brainer towards artificial consciousness. There’s just one big problem.
“Nobody in AI is working on building conscious machines because we just have nothing to go on. We just don’t have a clue about what to do,” said Dr. Stuart Russell, the author of Artificial Intelligence: A Modern Approach in a 2015 interview with Science.
Multilayered consciousness
The hard part, long before we can consider coding machine consciousness, is figuring out what consciousness actually is.
To Dehaene and colleagues, consciousness is a multilayered construct with two “dimensions:” C1, the information readily in mind, and C2, the ability to obtain and monitor information about oneself. Both are essential to consciousness, but one can exist without the other.
Say you’re driving a car and the low fuel light comes on. Here, the perception of the fuel-tank light is C1—a mental representation that we can play with: we notice it, act upon it (refill the gas tank) and recall and speak about it at a later date (“I ran out of gas in the boonies!”).
“The first meaning we want to separate (from consciousness) is the notion of global availability,” explains Dehaene in an interview with Science. When you’re conscious of a word, your whole brain is aware of it, in a sense that you can use the information across modalities, he adds.
But C1 is not just a “mental sketchpad.” It represents an entire architecture that allows the brain to draw multiple modalities of information from our senses or from memories of related events, for example.
Unlike subconscious processing, which often relies on specific “modules” competent at a defined set of tasks, C1 is a global workspace that allows the brain to integrate information, decide on an action, and follow through until the end.
Like The Hunger Games, what we call “conscious” is whatever representation, at one point in time, wins the competition to access this mental workspace. The winners are shared among different brain computation circuits and are kept in the spotlight for the duration of decision-making to guide behavior.
Because of these features, C1 consciousness is highly stable and global—all related brain circuits are triggered, the authors explain.
For a complex machine such as an intelligent car, C1 is a first step towards addressing an impending problem, such as a low fuel light. In this example, the light itself is a type of subconscious signal: when it flashes, all of the other processes in the machine remain uninformed, and the car—even if equipped with state-of-the-art visual processing networks—passes by gas stations without hesitation.
With C1 in place, the fuel tank would alert the car computer (allowing the light to enter the car’s “conscious mind”), which in turn checks the built-in GPS to search for the next gas station.
“We think in a machine this would translate into a system that takes information out of whatever processing module it’s encapsulated in, and make it available to any of the other processing modules so they can use the information,” says Dehaene. “It’s a first sense of consciousness.”
Meta-cognition
In a way, C1 reflects the mind’s capacity to access outside information. C2 goes introspective.
The authors define the second facet of consciousness, C2, as “meta-cognition:” reflecting on whether you know or perceive something, or whether you just made an error (“I think I may have filled my tank at the last gas station, but I forgot to keep a receipt to make sure”). This dimension reflects the link between consciousness and sense of self.
C2 is the level of consciousness that allows you to feel more or less confident about a decision when making a choice. In computational terms, it’s an algorithm that spews out the probability that a decision (or computation) is correct, even if it’s often experienced as a “gut feeling.”
C2 also has its claws in memory and curiosity. These self-monitoring algorithms allow us to know what we know or don’t know—so-called “meta-memory,” responsible for that feeling of having something at the tip of your tongue. Monitoring what we know (or don’t know) is particularly important for children, says Dehaene.
“Young children absolutely need to monitor what they know in order to…inquire and become curious and learn more,” he explains.
The two aspects of consciousness synergize to our benefit: C1 pulls relevant information into our mental workspace (while discarding other “probable” ideas or solutions), while C2 helps with long-term reflection on whether the conscious thought led to a helpful response.
Going back to the low fuel light example, C1 allows the car to solve the problem in the moment—these algorithms globalize the information, so that the car becomes aware of the problem.
But to solve the problem, the car would need a “catalog of its cognitive abilities”—a self-awareness of what resources it has readily available, for example, a GPS map of gas stations.
“A car with this sort of self-knowledge is what we call having C2,” says Dehaene. Because the signal is globally available and because it’s being monitored in a way that the machine is looking at itself, the car would care about the low gas light and behave like humans do—lower fuel consumption and find a gas station.
“Most present-day machine learning systems are devoid of any self-monitoring,” the authors note.
But their theory seems to be on the right track. The few examples whereby a self-monitoring system was implemented—either within the structure of the algorithm or as a separate network—the AI has generated “internal models that are meta-cognitive in nature, making it possible for an agent to develop a (limited, implicit, practical) understanding of itself.”
Towards conscious machines
Would a machine endowed with C1 and C2 behave as if it were conscious? Very likely: a smartcar would “know” that it’s seeing something, express confidence in it, report it to others, and find the best solutions for problems. If its self-monitoring mechanisms break down, it may also suffer “hallucinations” or even experience visual illusions similar to humans.
Thanks to C1 it would be able to use the information it has and use it flexibly, and because of C2 it would know the limit of what it knows, says Dehaene. “I think (the machine) would be conscious,” and not just merely appearing so to humans.
If you’re left with a feeling that consciousness is far more than global information sharing and self-monitoring, you’re not alone.
“Such a purely functional definition of consciousness may leave some readers unsatisfied,” the authors acknowledge.
“But we’re trying to take a radical stance, maybe simplifying the problem. Consciousness is a functional property, and when we keep adding functions to machines, at some point these properties will characterize what we mean by consciousness,” Dehaene concludes.
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