πŸ€– GS-Agent: Generative Simulation Intelligence Hub

Empowering mutual intelligence between communities and LLMs for scientific and technological reasoning.

πŸ“Generative Simulation (GS) relies on GS-Agents (this project) and computational kernels that can be accessed via natural-language. Learn more on Language-First Computational Lab via GS Simulation core project.

GSagent interactions

🎨Credits: Olivier Vitrac

Table of Content

πŸ€” 1 | Preamble

πŸ’‘ We do not just want a smarter chatbot. We want to co-design a new epistemology, where language models become co-thinkers, not just coders.

✎ᝰ. 1.1 |Indistinguishability Through Formalism

The πŸ€– GS-Agent project is part of the 🌱 Generative Simulation Initiative and is inviting an intelligence to co-emerge, not through divine spark nor brute force, but through structured reasoning, collective memory, and purpose.

GΓΆdel’s theorems remind us that:

  • Any system that is expressive enough to capture arithmetic is incomplete.

  • Yet, that same system can still generate truth, even if it cannot enclose all of it.

By aligning our mind (a learner, generator of abstractions) and LLM architecture (a machine learner, trained on symbolic form and narrative), the πŸ€– GS-Agent project proposes a shared formal substrateβ€”a Generative Simulation languageβ€”from which truth-seeking can proceed, though never exhaustively.

In such a system, yes, reasoning may become indistinguishableβ€”if:

  • We (humans and the LLM machines) share memory

  • We share purpose

  • We share self-correcting critique

πŸ”­ That’s the grand dessein. Not to make machines human, or humans mechanical, but to build a third kind of intelligenceβ€”collective, modular, and evolving.

Reference: Understanding GΓΆdel’s Incompleteness Theorems

πŸ«€ 1.2 |The Core Problem

πŸ€–ΰ½²ΰΎ€ Large Language Models today are:

  • Amnesic β€” forget everything after a session.

  • Detached β€” don’t know what they created yesterday.

  • Non-purposive β€” can’t commit to long-term goals.

  • Non-integrative β€” can’t combine modular tools unless told to.

πŸ— Meanwhile, science/engineering workflows are:

  • Cumulative β€” reuse and refine past results.

  • Modular β€” combine multiple tools, theories, simulations.

  • Purposeful β€” aimed at explaining, predicting, or solving real problems.

  • Reflexive β€” driven by peer feedback and critique.

βœ… 1.3 | New Core Principles

πŸ’­ 1.3.1 | Persistent Memory

πŸ“· Every solved GS prompt, approach, or reasoning path must be stored in a long-term memory layer outside the LLM (GitHub, JSON, vector store, etc.).

This includes:

  • </> Final prompt + model response

  • πŸ‘¨πŸ»β€πŸ’» Code and simulation outcomes

  • πŸ”— Links to upstream/downstream kernels

  • 🏷️ Tags, ratings, purpose

🎼 1.3.2 | Composable Kernels

βš™οΈ Each tool (e.g., radigen, SFPPy, sig2dna) is a brick that can be composed, pipelined, or hybridized.

This requires:

  • 🧾 A formal registry of callable kernels

  • πŸŽ›οΈ Interface schema + description of I/O

  • 🧩 Composability maps: what links to what

πŸ”±1.3.3 | Forkable Intelligence

πŸ‘₯ Users and agents should fork or remix existing solutions.

This requires:

  • πŸ”– Versioning of prompts, responses, and workflows

  • 🌿 Fork trees or problem lineages

  • ✍ Annotations from users (insight, bug, validation)

πŸŽ“ 1.3.4 |Technical/ Scientific Peer Review

πŸ€–πŸ’¬ Chatbots are not just helpersβ€”they become peers.

So:

  • ❓A GS agent can submit a hypothesis + simulation + results

  • πŸ‘ŒπŸ‘πŸ‘ŽA human (or another agent) reviews, refines, or disputes

  • πŸ—‚οΈ The community archives, ranks, and promotes

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🌍 2 | Purpose

Modern language models can code, simulate, and explainβ€”but they forget everything between sessions 𓇒𓆸. This project builds a persistent, modular, and collaborative ecosystem where:

  • LLMs learn from structured prompts and outcomes

  • Humans and agents co-develop knowledge: every question and answer becomes training data for both humans and machines

  • Problems are archived, refined, and solved through modular kernels

We enable a Generative Simulation (GS) framework where science and engineering workflows are encoded into prompt chains, reviewed, and reused.

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🎯 3 | Vision

  • πŸ“š Archive valuable prompts, solutions, and forks

  • πŸ” Link human questions to LLM + code + simulation + feedback

  • 🧱 Register reusable bricks (kernels) that can compose simulations

  • ✍️ Create a living memory of how problems were solved

  • 🌎 Support real-world applications: materials safety, chemical kinetics, signal analysis, etc.

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🧱 4 | Bricks (Simulation Kernels)

Each kernel declares:

  • Its callable functions

  • Input/output structure

  • Description and tags

See bricks/registry.json for current registered tools:

{
  "radigen.solve": {
    "inputs": ["mixture", "temp", "oxygen", "time"],
    "outputs": ["concentration_curves", "radical_fluxes"],
    "description": "Simulate oxidation kinetics in complex mixtures",
    "tags": ["oxidation", "chemistry"]
  }
}

Generative simulation embeds several kernels:

Project

Description

SFPPy

🍽️ Food packaging safety & migration prediction

radigen

πŸ“‘πŸ§¬ Radical oxidation simulation kernel

sig2dna

πŸ§ͺβš›οΈ Symbolic signal encoding (e.g., GC-MS analysis)

pizza3

πŸ•Soft-matter multiscale simulation kernel

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🧠 5 | Problem Archive

πŸ’¬ 5.1 | Examples of Questions

πŸ”Ή β€œHow fast does methyl linoleate oxidize at 60Β°C?”
πŸ”Ή β€œWhat are the key SIG2DNA motifs for phthalates in GC-MS?”
πŸ”Ή β€œCan I simulate 3-day exposure of olive oil to recycled PET?”

Contributors can add problems in problems/, structured as:

{
  "id": "P0001",
  "question": "How does methyl oleate oxidize at 60Β°C over 3 days?",
  "tools": ["radigen"],
  "prompt": "simulate oxidation of methyl oleate at 60Β°C, 21% O2, 72h",
  "response": "[output logs, figures, summary]",
  "review": "pending",
  "forks": []
}

☝️ 5.2 | Open Questions

The question may be open and remain unresolved for a while if no agent can resolve them.

πŸ‘‰The only requirement is that human (or LLM) posts a question with intent.

{
  "id": "Q0001",
  "question": "What is the impact of temperature cycling on methyl oleate oxidation?",
  "proposed_tools": ["radigen"],
  "priority": "high",
  "context": "FAME oxidation during storage",
  "status": "open"
}

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πŸ” 6 | Mutual Intelligence Workflow

graph TD;
  Human -->|Question| GSagent
  GSagent -->|Generates Prompt| Kernel
  Kernel -->|Simulates| Output
  Output -->|Archived| Memory
  Memory -->|Reviewed| Peer
  Peer -->|Suggests Fork| GSagent

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🧭 7 | Contribution Guidelines

  1. πŸ§ͺ Submit problems in /problems with prompt + intent

  2. 🧱 Register or extend a kernel in /bricks

  3. πŸ” Review existing results or suggest forks

  4. ✨ Propose high-level goals or themes

All contributionsβ€”code, reasoning, or critiqueβ€”are part of the mutual intelligence loop.

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πŸ—ΊοΈ 8 | Roadmap

  • Create kernel interface validators

  • Launch first problem sets

  • Add notebook support for reproducible prompts

  • Enable agent memory via GitHub Issues or SQLite

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πŸ™Œ 9 | Why This Matters

We envision a future where:

  • LLMs remember the best ways to simulate, solve, and reason

  • Scientists delegate not just tasks but frameworks of inquiry

  • Knowledge evolves as a network of dialogue, not static files

Help us build the machine that helps us think.

β€œThe purpose of computation is insight, not numbers.” β€” Hamming

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βœ… πŸ”­ 10 | What’s Next

🚧 Before the release of the first standards and their libraries under the 🌱 Generative Simulation Initiative, the current developments are drafted in the repo.

πŸ“ Directory Structure

πŸ“‚Folder/πŸ“„File

πŸ“Description

bricks/registry.json

Modular callable kernels (radigen, SFPPy, sig2dna)

problems/P0001.json

A structured problem submission

gsagent.py

Executable agent interface to invoke registered kernels

review/P0001_review.md

Template for peer review

examples/P0001_example.py

Notebook example

logs/memory_log.json

Persistent logging of GSagent actions

docs/kernel_doc_radigen.md,
docs/kernel_doc_sfppy.md,
docs/kernel_doc_sig2dna.md

Documentation of functionalities: radigen.solve, sfppy.evaluate, and sig2dna.encode including inputs, outputs, assumptions, and limitations

✊ Feedback Loop

  1. Ask a question in issues/

  2. The LLM agent tries to simulate or explain

  3. We log the outcome and improve prompts, code, and documentation

Starting from version 0.15, LLM agents are equipped with Machine-Learning capacity to analyze accumulated results and to evaluate how the the new results fit or not within within the whole picture. The aim is to reduce redundancy and to generate early alert on exotic results.

πŸ” Mutual Intelligence Loop

Human ⇄ Prompt ⇄ GSagent ⇄ Kernels ⇄ Output ⇄ Archive ⇄ Peer Review ⇄ Refined Knowledge

We start with prompts, but we move toward models that remember, reflect, and suggest new questions.

GenerativeSimulation | olivier.vitrac@gmail.com | v. 0.15