Talk Session 1: AI for Science

Building AI for the Physical World: Lessons from Accelerating Discovery for Chemists Across the Globe

Jonathan Welch — Head of AI, Albert Invent

Saturday, August 1 · Nexus Stage · 01:20:09–01:26:03 · morning stream

In industrial chemistry the most important feature of an agentic co-scientist isn't accuracy, it's trust — and trust doesn't die in a dramatic reasoning failure, it dies quietly when a retrieval model ranks the right passage 300th because it has no discrimination inside the domain.

TL;DR

  • Trust is the most important feature — not accuracy in the abstract, and not impressive but isolated capability. Trust means alignment with the user's domain. Once a system starts reasoning in a confidently wrong way, users don't just lose trust in the answer; they lose trust in you, the person building the system, and winning either back is a steep climb.
  • Formulation chemistry is the hardest domain for agentic co-scientists to enter: it's the largest domain in industrial chemistry (more than half of a $200B annual R&D spend goes to formulated products), yet the knowledge that determines success is overwhelmingly tacit, unpublished, and proprietary, seldom if ever surfaced publicly.
  • Trust breaks quietly: on a real formulation chemist's patent query with two plausible-looking passages, a leading embedding model ranked the correct one beyond position 300, and the similarity-score gap between the two was essentially zero — the model has no within-domain discrimination in formulation chemistry. For an agentic co-scientist that isn't just bad retrieval; it becomes a false belief the system reasons from confidently.
  • Only one thing worked: task-specific, ontologically structured contrastive training — teaching the model the shape of the domain rather than feeding it more chemistry text. Commercial APIs score effectively zero on their benchmark; open-weight models do better, but continued pre-training doesn't fix it.

Key Points

Formulation chemistry: the biggest domain and the hardest to enter (~01:20–01:22)

Albert is an AI-native operating system built as a collaborative surface where AI agents and chemists work together to accelerate discovery and bring new materials to market faster. It's the R&D platform for some of the largest chemical companies in the world.

The first lesson from deploying AI at enterprise scale: how skeptical bench chemists actually are. They're inventing things people rely on, they expect a great deal, and they don't easily forgive even simple mistakes — let alone costly complex ones.

Industrial chemistry, as he defines it, is the chemistry of the room around you: the paints and coatings on the walls, the adhesives in your phone, the coatings on your glasses, the personal care products you used this morning. All of these are formulated products, and formulation science is the largest domain in industrial chemistry — more than half of a $200 billion annual R&D spend goes toward them.

And this is precisely the domain that's least accessible to agentic co-scientists, because most of the knowledge determining success today lives in tacit, unpublished, proprietary form and is seldom if ever surfaced publicly.

Within it, Albert's co-scientists help partners invent products that over a billion people depend on every day. That's the weight these chemists carry into every decision, and it's exactly why building AI for scientific discovery taught them that above all else, trust is the most important feature — not accuracy in the abstract, not capability or amazing but often isolated results, but alignment with their domain. He conceded this sounds obvious, and noted how easy it is to lose track of when you're building capabilities without clear problem-selection criteria.

Because when your job is maintaining a materials market segment that reaches a billion people's hands, your expectations are high. And once a user sees a system beginning to reason in a confidently wrong way, they don't just lose trust in the answer — they start losing trust in you, the one developing the agentic system. Winning either back is a very steep climb.

How trust actually breaks: one retrieval example (~01:22–01:26)

His emphasis: trust doesn't break through a dramatic failure of complex reasoning. It breaks through something simple and quiet — usually just basic misalignment with the domain.

The example is a real query from a formulation chemist looking for a patent for the agent to reason with. Two candidate passages, both of which look like they could answer it; one is correct. What happened:

  • A leading embedding model ranked the correct answer beyond the 300th position — well outside what typical reranking systems check in production.
  • More surprising still, the difference in similarity score between the two passages was essentially zero.

Which means the model has no within-domain discrimination for formulation chemistry. And for an agentic co-scientist, this isn't just a bad retrieval — it becomes a false belief the system then reasons from very confidently.

The fix is to dig beneath the surface and ask what actually makes the passages different. On the surface they share similar material ontologies, similar function, and similar final application domain. But using an ontological signal to surface what a formulation chemist would actually use to tell them apart yields domain alignment — and from there, powerful training signals for within-domain discrimination.

To find out where these within-domain distinctions live in industrial chemistry, they built benchmarks. Comparing every model on the same public corpus:

  • Commercial APIs score effectively zero — no within-domain discrimination at all.
  • Open-weight models do better, but continued pre-training on them doesn't really work either.
  • What does work is task-specific, ontologically structured contrastive training — teaching the model the actual shape of the domain's chemistry rather than showing it more chemistry text, i.e. aligning with how the actual users think. That took them from a near-zero model in production to something meaningful at enterprise scale.

His conclusion: reasoning and discovery under high uncertainty are only as good as the alignment between the system and the actual problem space it's applied to — which is why he expects scalable AI solutions to become far more domain-native. Several talks that day pointed the same way: as you move into more specialized domains, you have to build AI that genuinely understands them.

He closed on a second, longer-term and more important kind of trust: not trust in the answer, but the trust you build when constructing agentic systems for real users. The reason is that the public record of science is survivorship-biased — we systematically miss what's beneath the surface — and a great deal of that missing knowledge lives inside enterprise R&D today. Continually asking "what are we doing to build trust in the AI we're building for end users?" is how you get access to that data.

Quotes

"…building AI for scientific discovery has taught us that above all else, trust is actually the most important feature." (~01:22:14)

Not accuracy, not capability — trust.

"…once you reach a system and you begin to see that it's beginning to reason in a confidently wrong way, you don't just lose trust in the answer. You begin to lose trust in you, the one who's actually developing the agentic system." (~01:22:46)

The cost of confidently wrong output spills onto the builder.

"Trust doesn't break down through some dramatic failure of complex reasoning. It breaks down through something simple and quiet." (~01:23)

It's never an explosion — it's chronic misalignment.

提到的專案與資源 / Projects & Resources

名稱 Name 說明 Description 備註 Notes
Albert(Albert Invent) AI 原生作業系統,作為 AI agent 與化學家協作的介面;大型化學公司的 R&D 平台 AI-native OS built as a collaborative surface for AI agents and chemists; R&D platform for large chemical companies 其 co-scientist 協助發明超過十億人每天使用的產品 / its co-scientists help invent products a billion-plus people use daily
領域內鑑別 benchmark / within-domain discrimination benchmark 用同一份公開語料衡量各模型在工業化學裡的鑑別力 Measures models' discrimination inside industrial chemistry on a shared public corpus 商用 API ≈ 0 分;open-weight 較佳但 continued pre-training 無效 / commercial APIs ≈ 0; open-weight better, continued pre-training ineffective
本體論結構化對比式訓練 / ontologically structured contrastive training 用本體論訊號建構對比樣本,教模型領域的實際形狀 Uses ontological signals to build contrastive pairs that teach the model the domain's actual shape 他們唯一有效的方法 / the only approach that worked

逐字稿勘誤 / Transcript Corrections

字幕原文 Heard as 應為 Should be
Albert Invent(字幕正確) Albert Invent
formulary chemistry formulation chemistry
tacid tacit
onlogically / ontological uh onlogically ontologically
Open-based models open-weight models
aentic / agentic(混用) agentic

待確認 / To Verify

  • $200B 年 R&D 支出的統計出處未提供(他只說「a $200 billion annual R&D spend」)。/ No source given for the $200B annual R&D spend figure.
  • 被測的「leading embedding model」是哪一個未指名。/ The "leading embedding model" that ranked the answer beyond 300th wasn't named.
  • 他們建的 benchmark 是否公開、有無名稱未說明。/ Whether their within-domain discrimination benchmark is public, and what it's called, wasn't stated.
  • 「over a billion people depend upon every day」指的具體產品類別未細說。/ The specific product categories behind the "over a billion people" claim weren't detailed.

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