# LapidaryEngine: Fully Conversational Crystal Generation

arXiv: https://arxiv.org/abs/2606.14215 · HTML: https://mlsanity.com/paper/2606.14215/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 25 of its 52 references that are in the map.
- First posted on arXiv 12 Jun 2026.

## Builds on (most cited first, 25 of 25)

- [Denoising Diffusion Probabilistic Models](https://mlsanity.com/paper/2006.11239/) (2020)
- [High-Resolution Image Synthesis with Latent Diffusion Models](https://mlsanity.com/paper/2112.10752/) (2021)
- [GPT-4 Technical Report](https://mlsanity.com/paper/2303.08774/) (2023)
- [Training Verifiers to Solve Math Word Problems](https://mlsanity.com/paper/2110.14168/) (2021)
- [Qwen3 Technical Report](https://mlsanity.com/paper/2505.09388/) (2025)
- [Classifier-Free Diffusion Guidance](https://mlsanity.com/paper/2207.12598/) (2022)
- [Self-Refine: Iterative Refinement with Self-Feedback](https://mlsanity.com/paper/2303.17651/) (2023)
- [CLIPScore: A Reference-free Evaluation Metric for Image Captioning](https://mlsanity.com/paper/2104.08718/) (2021)
- [WebGPT: Browser-assisted question-answering with human feedback](https://mlsanity.com/paper/2112.09332/) (2021)
- [Structured Denoising Diffusion Models in Discrete State-Spaces](https://mlsanity.com/paper/2107.03006/) (2021)
- [Solving Quantitative Reasoning Problems with Language Models](https://mlsanity.com/paper/2206.14858/) (2022)
- [Imagic: Text-Based Real Image Editing with Diffusion Models](https://mlsanity.com/paper/2210.09276/) (2022)
- [The AI Scientist: Towards Fully Automated Open-Ended Scientific Discovery](https://mlsanity.com/paper/2408.06292/) (2024)
- [Muse: Text-To-Image Generation via Masked Generative Transformers](https://mlsanity.com/paper/2301.00704/) (2023)
- [DiffEdit: Diffusion-based semantic image editing with mask guidance](https://mlsanity.com/paper/2210.11427/) (2022)
- [Sora: A Review on Background, Technology, Limitations, and Opportunities of Large Vision Models](https://mlsanity.com/paper/2402.17177/) (2024)
- [MusicLM: Generating Music From Text](https://mlsanity.com/paper/2301.11325/) (2023)
- [Crystal Diffusion Variational Autoencoder for Periodic Material Generation](https://mlsanity.com/paper/2110.06197/) (2021)
- [Crystal Structure Prediction by Joint Equivariant Diffusion](https://mlsanity.com/paper/2309.04475/) (2023)
- [Space Group Constrained Crystal Generation](https://mlsanity.com/paper/2402.03992/) (2024)
- [SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models](https://mlsanity.com/paper/2502.03638/) (2025)
- [Wyckoff Transformer: Generation of Symmetric Crystals](https://mlsanity.com/paper/2503.02407/) (2025)
- [WyckoffDiff -- A Generative Diffusion Model for Crystal Symmetry](https://mlsanity.com/paper/2502.06485/) (2025)
- [Generative Hierarchical Materials Search](https://mlsanity.com/paper/2409.06762/) (2024)
- [Scientific Hypothesis Generation by a Large Language Model: Laboratory Validation in Breast Cancer Treatment](https://mlsanity.com/paper/2405.12258/) (2024)

## Abstract (arXiv)

The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design materials through intuitive, conversational interaction. Existing text-to-crystal generative models represent important early steps toward this goal, but they suffer from two critical limitations: (i) restricted input formats that require highly structured descriptions (e.g., chemical formulas), and (ii) one-directional generation, where models can map text to crystal but cannot perform the inverse. These limitations prevent fully conversational workflows and hinder alignment with users' inherently ambiguous and evolving desiderata. We address these challenges with LapidaryEngine, the first model to support fully conversational crystal generation. LapidaryEngine accepts free-form natural-language requests and performs iterative refinement and editing in a dialogue-like manner. The key innovation is a pivot representation, a third, intermediate form that enables bidirectional translation between text and crystal structures despite the absence of direct paired datasets. Leveraging this pivot allows robust interpretation of user feedback and precise structural control. We demonstrate LapidaryEngine across diverse tasks, including insulator discovery, stability optimization, compositional modification, and structural editing, showcasing its ability to align generated materials with user intent in an interactive manner.