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Unlike classic theories based on simple equations, large AI models represent a new kind of scientific object. Rather than being mere predictive tools, they could be a novel form of explanation that we must learn to manipulate through new operations like distillation and merging, much like Mathematica made massive equations workable.
Human understanding is the ability to connect new information to a global, unified model of the universe. Until recently, AI models were isolated (e.g., a chess model). The major advance with large multimodal models is their ability to create a single, cohesive reality model, enabling true, generalizable understanding.
A classical, bottom-up simulation of a cell is infeasible, according to John Jumper. He sees the more practical path forward as fusing specialized models like AlphaFold with the broad reasoning of LLMs to create hybrid systems that understand biology.
An AI model solved a particle physics problem that stumped scientists by simplifying a complex formula and proposing a general solution. This marks a shift from AI as a mere computational tool to a creative partner in theoretical research, which the physicists described as a "collaborator."
DE Shaw Research (DESRES) invested heavily in custom silicon for molecular dynamics (MD) to solve protein folding. In contrast, DeepMind's AlphaFold, using ML on experimental data, solved it on commodity hardware. This demonstrates data-driven approaches can be vastly more effective than brute-force simulation for complex scientific problems.
AlphaFold's success in identifying a key protein for human fertilization (out of 2,000 possibilities) showcases AI's power. It acts as a hypothesis generator, dramatically reducing the search space for expensive and time-consuming real-world experiments.
To make genuine scientific breakthroughs, an AI needs to learn the abstract reasoning strategies and mental models of expert scientists. This involves teaching it higher-level concepts, such as thinking in terms of symmetries, a core principle in physics that current models lack.
The ultimate goal isn't just modeling specific systems (like protein folding), but automating the entire scientific method. This involves AI generating hypotheses, choosing experiments, analyzing results, and updating a 'world model' of a domain, creating a continuous loop of discovery.
Like DeepMind's AlphaFold, which predicted millions of protein structures to fill gaps in the proteome, mathematical AI will systematically solve known conjectures. This creates a vast, verified library of mathematical knowledge, which in turn becomes a more powerful foundation for solving even harder problems in a recursive, self-improving loop.
Traditional science failed to create equations for complex biological systems because biology is too "bespoke." AI succeeds by discerning patterns from vast datasets, effectively serving as the "language" for modeling biology, much like mathematics is the language of physics.
With AI generating complex formulas and proofs, the most challenging part of scientific research is no longer solving the core problem. Instead, the primary human task becomes verifying the AI-generated results and writing them up, fundamentally changing the research workflow.