Brandon Severin

Founder of Conductor Quantum

Using AI to Accelerate Scientific Discovery - Demis Hassabis

Demis Hassabis, co-founder and CEO of DeepMind

  • Fresh trim Demis 😉

Intro to DeepMind

  • DeepMind’s initial aim was a programme to achieve Artificial General Intelligence (AGI)
    • Step 1: solve intelligence.
    • Step 2: solve everything else.
      • “To advance science and benefit humanity”
  • Two approaches to build AI
    • Expert systems
      • Limited to what they have already seen
      • Relies on hardcoded knowledge
    • Learning systems
      • Can generalise and learn new tasks
      • Inspired by neuroscience
  • Merge deep learning and reinforcement learning
    • Deep reinforcement learning systems can learn new knowledge through a process of trial and error
    • Feedback loop: Observations —> Agent —> Actions —> Environment —>

AlphaGo

  • The Game of Go

    • The search space is huge. Number of configurations of the board is more than the number of atoms in the universe
      • All the computers in the world working for 1 million years couldn’t calculate all the possible moves.
    • Impossible to write evaluation functions unlike in Chess
    • Go players rely on intuition rather than calculation “this felt right”
  • How do we do it (AlphaGo Zero)? - V1 neural network (NN) plays against itself 100k times. It picks moves at random. This generates a dataset - V2 neural net is trained on V1 - V2 NN plays V1 NN 100 times - Best NN (55% win rate) then plays against itself another 100k times - Cycle repeats

    • Combine the neural network with Monte Carlo search for efficient move choice.
  • Beat Lee Sedol (18 time world champion) 4-1.

  • Changed the way human beings view the game of Go.

    • Move 37 will go down in history.
  • Generalisation

    • AlphaZero generalised AlphaGo to 3 games: Chess, Go and Shogi
      • New style of chess: Mobility over Materiality
      • It will sacrifice pieces to get more mobility for it’s remaining ones; The Immortal Zugzwang Game
      • Human Chess Grandmaster searches 100 moves per decision, Stockfish: 100K, AlphaZero: 10K

Scientific Discovery

  • What makes for a suitable problem?

    • Massive combinatorial search space
    • Clear objective function
    • Lots of training data or an accurate simulator to generate data.
  • Protein folding problem

    • Can you predict the 3D form of a protein based only on its Amino Acid sequence?
    • Proteins are essential to life. Their 3D structure determines their function
    • It takes one PhD student (4 years) per protein structure.
    • Levinthal’s paradox: 10^300 possible confirmations for an average protein. Yet nature solves this spontaneously.
    • It was a long road to getting fully into protein folding. 90s intro at Uni full start 2016.
  • AlphaFold 2

    • AlphaFold 2 achieved atomic accuracy for protein structure prediction in 2020 CASP.
    • Needed 32 component algorithms. 60 pages of supplementary information. Every part was a requirement for AlphaFold 2 based on ablation studies
    • Made the system completely end to end, rather than relying on an intermediate step.
    • Architecture: attention based neural net.
    • Included biological and physical constraints that didn’t impact the learning.
    • Start with domain knowledge. Generality is secondary.
    • 2 weeks to train. Prediction now takes minutes.
    • Predicted 20K proteins encoded by the human genome.

Roadmap

  • Prioritise neglected tropical disease for proteins structure prediction.

  • Plan to solve 100m proteins over the next year. All proteins currently known to humans

  • New era: digital biology

    • Can you derive the laws of motion of a cell? Can you learn them?
  • Demis has been shipping. Ticking off childhood dream projects.

  • Many products you use will probably have interacted with code from DeepMind.

    • Data centre and grid optimisation.
    • YouTube bit rates
  • Ethics:

    • Has been central to their mission from the beginning.
    • We should not move fast and break things.
    • Use the scientific method: deliberation and foresight. Control tests. Update based on empirical data. Aim to get a better understanding.