Intro to AI for Scientists

McClain Thiel  ·  Encode Fellow  ·  UCL Barnes Lab

A bit about me

  •   UC Berkeley — Data Science
  •   Tempus AI — clinical genomics
  •   Snorkel AI — the "labels are expensive" problem
  •   WealthHawk — founded, built, acquired
  •   Encode Fellow + PhD @ UCL — AI-driven DNA design

The Hype Wall

Startup raises $40M for AI-powered drug discovery
Legacy CRM now AI-powered
AI will replace radiologists by 2025
$2B fund launches for generative biology
Big Pharma deploys AI across R&D
"We're an AI-first diagnostics company"
Startup uses AI to fold proteins (again)
AI agent automates wet-lab scheduling
New foundation model for the cell
Series A: AI-native biotech out of stealth
"Our AI learns from every experiment"
LLM for molecule generation
Agentic drug discovery platform

The word "AI" appears in ~75% of Series A pitches.

Today

  1. 1 The basics of ML
  2. 2 What ML can('t) do
  3. 3 The business lens
Part 1  of  3

The basics of ML

Clearing the Fog

AI Machine Learning Deep Learning LLMs

"A computer program is said to learn from experience E with respect to some class of tasks T and performance measure P, if its performance at tasks in T, as measured by P, improves with experience E."

What can ML actually do?

SUPERVISED

Labeled examples

Learn a mapping from input to known output.

tumor image  →  malignant / benign
CLASSIFICATION predict a category
REGRESSION predict a number
UNSUPERVISED

Structure without labels

Find patterns, clusters, or low-dimensional structure.

patient records  →  patient clusters
SEMI-SUPERVISED

A bit of both

Label some examples, infer the rest.

useful when labeling is expensive
image of a cat
"This movie was great"
size=1200 beds=3 yr=1995 house features
INPUT
LEARNED
MODEL
classification "cat"  (92%)
classification positive sentiment
regression $420,000
OUTPUT

That's it. Everything else is a creative application of this.

Same idea. Different framing.

SUPERVISED LEARNING

input

house features (size, location, age)

output

price = $420,000

LARGE LANGUAGE MODEL

input

"the quick brown fox"

output

P(next word | context)

ALPHAFOLD

input

MKTAYIAKQRQIS...

output

3D atomic coordinates

Image classification

the task that kicked off the deep-learning era

tabby cat 224 × 224 px
INPUT
an image
conv layers FC
MODEL
convolutional neural network
cat 92.1%
dog 5.3%
bird 1.8%
OUTPUT
class probabilities

AlphaFold

2024 Nobel Prize in Chemistry · Hassabis, Jumper, Baker

MQIFVKTLTGKTITLEVEPSDT
IENVKAKIQDKEGIPPDQQRLI
FAGKQLEDGRTLSDYNIQKEST
LHLVLRLRGG
INPUT
amino acid sequence
ubiquitin · 76 aa
ALPHAFOLD
MODEL
OUTPUT
3D atomic coordinates
PDB 1UBQ

How an LLM actually works

"the quick brown fox _____"
P(next word | "the quick brown fox")
jumps 72%
leaps 16%
runs 6%
hops 4%
is 2%

input: all previous tokens   →   output: probability over next token

Part 2  of  3

What ML can('t) do

Three ingredients

ALGORITHM commoditizing — Llama, Mistral, open source
COMPUTE commoditizing — AWS, GCP, Azure
DATA the only durable moat

What goes into each box

INPUT
MODEL
OUTPUT
COLLECT + LABEL

Gather examples. Pay someone — or something — to say what's what.

ALGORITHM + COMPUTE + TRAIN

Pick a model. Minimize loss on the labeled data.

EVALUATE

How well does it work on data it hasn't seen?

When ML works

ML is a pattern-recognition algorithm.

  1. 1 You can define what "good" means. Labels. An evaluation metric. Ground truth you can measure.
  2. 2 You have a lot of data. Thousands to millions of labeled examples of the pattern.
  3. 3 Your goal is to automate a difficult task. Something a human can do — but slowly, expensively, or inconsistently.

When doesn't ML work?

WHAT WE ASSUME

patient profile
training data - - held-out test

Trial patients  ≈  test patients
test accuracy looks great

WHAT ACTUALLY HAPPENS

patient profile
training data real-world patients

Trial patients  ≠  real-world patients
accuracy drops in deployment

In vs. out of distribution

training deployment

DERMATOLOGY AI trained on light skin  →  −15% accuracy on dark skin

SEPSIS MODEL AUC 0.83 at Hospital A  →  0.63 at Hospital B

RARE DISEASE 10k common cases in training  →  near-random on 200 rare cases

Where AI wins. Where it doesn't.

GOOD AT
  • Consistent, repeatable patterns
  • Large labeled datasets
  • Clear input / output framing
  • Measurable, objective outcomes
  • High-volume decisions
pathology imaging · drug toxicity · protein structure
STRUGGLES WITH
  • Distribution shift
  • Tiny datasets
  • Novel biology with no prior data
  • Causal reasoning
  • High-stakes, irreversible decisions
rare diseases · first-in-class mechanisms · individual patient outcomes
Part 3  of  3

The value chain

Who actually makes money?

APPLICATION
Paige AI · Viz.ai · Babylon Health · Ada Health (struggling)
FOUNDATION
DeepMind · Anthropic · Boltz · EvolutionaryScale
DATA
Tempus · Flatiron · Scale AI · Veracyte
COMPUTE
AWS · GCP · Azure · Anyscale
HARDWARE
NVIDIA
BIG PHARMA
eats the top layers
Roche · Pfizer · Novartis · Recursion · Insitro

Which layer are they in?


DATA

Own the data, fine-tune on top

Tempus · Flatiron · Scale AI · Veracyte

Proprietary, labeled domain data. The thesis turns on what data you have.

FOUNDATION

Train a model from scratch

DeepMind · Anthropic · Boltz · EvolutionaryScale

Pre-training at scale. In bio: ESM, AlphaFold, Boltz are open and commoditising.

APPLICATION

Build a product on top

Paige AI · Viz.ai · Grammarly · Babylon Health

Some succeed (FDA-cleared product, real distribution). Some don't (no moat, no buyer budget).

What makes a real data moat

EXCLUSIVE ACCESS

Clinical partnerships, proprietary instruments. Data you only see if you own the pipeline.

COST TO GENERATE

Wet-lab experiments, rare patient cohorts. Data that takes real money and real time.

NETWORK FLYWHEEL

More users → more labels → better model → more users. Usage itself generates training data.

REGULATORY / PERMISSIONED

Can't scrape. Can't replicate. Access governed by contracts or regulation.

1. Are you building a model, or using someone else's?


2. What data do you have?


3. What does "good" look like for this task?

The mental model

HARD TASK  → PEOPLE WANT IT  → EASY · WANTED HARD · WANTED EASY · NOBODY ASKED HARD · NOBODY ASKED Waymo robotaxis in SF, Phoenix, LA DeepMind AlphaFold, Gemini · inside Google Recursion AI drug discovery · acquired Exscientia Cogitai predictive learning · acqui-hired by Sony Numenta cortical learning · 20 yrs, no product Grammarly writing assist · 30M daily users Copy.ai pivoted as wrapper moat evaporated Notion AI feature add-on · rides existing love Lensa AI viral selfie filters · forgotten in weeks Character.ai huge usage · weak monetisation working failed / fading proving it

Questions?

McClain Thiel  ·  UCL Barnes Lab