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Predicting Discovery

Ariel Agor

For most of history, science proceeded at the speed of human thought. A hypothesis was formed, an experiment designed, data collected, and conclusions drawn—all by biological minds constrained by biological clock speeds. A scientist might have one truly original insight per decade. A laboratory might run a few hundred experiments per year. Progress was steady but fundamentally limited by the bandwidth of human cognition.

We have entered the exponential phase of discovery. The latest generation of AI models isn't just summarizing existing papers; it's predicting the results of experiments that haven't been run yet. From protein folding to materials science, the "prediction engine" of AI is mapping the landscape of physical possibility faster than we can physically traverse it.

The Meta-Method

This is what I call the "meta-method"—using the scientific method to improve the scientific method itself. For centuries, the basic protocol of science remained unchanged: observe, hypothesize, test, conclude. We refined our instruments and formalized our statistics, but the cognitive workflow stayed constant. A human brain formed questions; human hands ran experiments; human eyes interpreted results.

AI agents are now reading the entire corpus of scientific literature—millions of papers that no human could read in a thousand lifetimes—and finding the hidden connections, the overlooked anomalies, the silent gaps that suggest new breakthroughs. They notice that a compound studied in oncology has properties relevant to battery chemistry. They spot that an abandoned hypothesis from 1987 was discarded for reasons that no longer apply. They identify the negative results buried in supplementary materials that hint at unexplored directions.

This "literature mining" capability alone would be transformative. But the real breakthrough is that AI models can now do more than organize existing knowledge—they can extrapolate from it. Given the properties of known materials, they can predict the properties of hypothetical materials that have never been synthesized. Given the structures of known proteins, they can predict how novel sequences will fold. The map is becoming more detailed than the territory we've explored.

Simulation Over Experimentation

The deeper shift is philosophical: we are moving from a world where we discover things by breaking them in a lab to a world where we discover things by simulating them in a model. The wet lab is giving way to the dry lab. The test tube is being replaced by the tensor.

Consider drug discovery. The traditional process was almost comically inefficient: synthesize thousands of compounds, test them in cell cultures, advance the promising ones to animal trials, and hope that a tiny fraction survive to human testing. Each step took years and cost millions. The failure rate was staggering—over 90% of drugs that entered clinical trials never made it to market.

AI-driven drug discovery inverts this funnel. We can now simulate how millions of molecular structures will interact with biological targets before synthesizing a single molecule. We can predict toxicity, bioavailability, and efficacy in silico. The compounds that make it to physical synthesis are pre-selected for success. The hit rate is climbing; the timelines are compressing.

The same logic applies to materials science, where we can screen billions of potential alloys or catalysts computationally. It applies to climate science, where we can run thousands of scenarios through Earth system models. It applies to particle physics, where simulations guide the design of experiments that cost billions of dollars to run physically.

The Verification Bottleneck

But here's the paradox: the faster we generate predictions, the slower—relatively speaking—we can verify them. AI can propose a million new drug candidates tomorrow. Actually testing them in living organisms still takes years. AI can design a revolutionary new battery chemistry. Building the manufacturing line to produce it at scale still takes decades.

The bottleneck is shifting from ideation to verification, from prediction to production. We are becoming idea-rich and implementation-constrained. The limiting factor is no longer "can we think of a solution?" but "can we prove it works in the real world?"

This creates new strategic imperatives. Organizations that can accelerate the verification cycle—through automated labs, rapid prototyping, parallel testing—will have enormous advantages. The speed of science will be gated not by the speed of thought but by the speed of physical reality.

The New Scientific Workforce

What does this mean for scientists themselves? The role is transforming from "generator of hypotheses" to "curator of predictions." The human scientist becomes the judge, the strategist, the quality controller—deciding which of the AI's thousand suggestions are worth pursuing, designing the experiments that will arbitrate between competing theories, interpreting the results in their broader context.

This is a more demanding role, not a less demanding one. It requires broader knowledge (to evaluate predictions across fields), deeper judgment (to distinguish promising leads from statistical flukes), and greater creativity (to see implications that even the AI misses). The scientist of tomorrow is not replaced by the machine; they are elevated by it—freed from the drudgery of literature review and calculation, focused on the highest-value cognitive work.

The Cambrian Explosion

The result will be a Cambrian explosion of physical technologies. New drugs, new materials, new energy sources—all emerging from the latent space of our machines. We will cure diseases that have tormented humanity for millennia. We will build structures that were previously impossible. We will unlock energy sources that seemed like science fiction.

This acceleration is already visible. The time from "novel target identified" to "drug candidate selected" has compressed from years to months in some domains. Materials with properties that would have taken decades to discover through trial-and-error are being designed in weeks. The curve is bending upward.

We are at the beginning of the steepest part of the S-curve. The scientific discoveries of the next twenty years will dwarf those of the previous two hundred. The question is no longer whether AI will transform science—it already has. The question is whether our institutions, our policies, and our ethics can keep pace with what we're about to learn.