# AtomWorld-Mem: Memory-Restored World States for Long-Horizon Atomistic Evolution

arXiv: https://arxiv.org/abs/2609.31133 · HTML: https://mlsanity.com/paper/2609.31133/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 12 of its 37 references that are in the map.
- First posted on arXiv 25 Sep 2026.

## Builds on (most cited first, 12 of 12)

- [Dream to Control: Learning Behaviors by Latent Imagination](https://mlsanity.com/paper/1912.01603/) (2019)
- [Learning Latent Dynamics for Planning from Pixels](https://mlsanity.com/paper/1811.04551/) (2018)
- [Mastering Diverse Domains through World Models](https://mlsanity.com/paper/2301.04104/) (2023)
- [Mastering Atari with Discrete World Models](https://mlsanity.com/paper/2010.02193/) (2020)
- [Recurrent World Models Facilitate Policy Evolution](https://mlsanity.com/paper/1809.01999/) (2018)
- [Deep Variational Bayes Filters: Unsupervised Learning of State Space Models from Raw Data](https://mlsanity.com/paper/1605.06432/) (2016)
- [DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics](https://mlsanity.com/paper/1712.03641/) (2017)
- [Memory-based Deep Reinforcement Learning for POMDPs](https://mlsanity.com/paper/2102.12344/) (2021)
- [Learning and Querying Fast Generative Models for Reinforcement Learning](https://mlsanity.com/paper/1802.03006/) (2018)
- [Partially Observable Reinforcement Learning with Memory Traces](https://mlsanity.com/paper/2503.15200/) (2025)
- [Recurrent Predictive State Policy Networks](https://mlsanity.com/paper/1803.01489/) (2018)
- [From latent dynamics to meaningful representations](https://mlsanity.com/paper/2209.00905/) (2022)

## Abstract (arXiv)

High-fidelity atomistic evolution over long timescales requires more than observing the current crystal configuration. Instantaneous atomistic snapshots are often incomplete: locally similar configurations can correspond to different hidden dynamical contexts, future event preferences, and waiting-time scales. We argue that this snapshot ambiguity makes long-horizon atomistic evolution fundamentally a memory-based world-state restoration problem. To address this, we introduce AtomWorld-Mem, a memory-restored atomistic world model that recovers the latent world state missing from instantaneous crystal snapshots. AtomWorld-Mem treats the evolving alloy as an AtomWorld: spatial encoders write multi-scale atomistic keyframes from dense local topology and sparse long-range defect context, while short-term event memory and long-term structural memory integrate these keyframes across time to restore a future-predictive evolutionary state. The restored state is used to prioritize legal vacancy-mediated events under single-event Kinetic Monte Carlo (KMC) constraints, while event legality, physical execution, and residence-time updates remain governed by the underlying simulator. Empirically, AtomWorld-Mem improves long-horizon atomistic progress under fixed microscopic event budgets while maintaining high-fidelity evolution across energetic, structural, and vacancy-transport observables. It further transfers zero-shot across diverse unseen alloy-temperature AtomWorlds, suggesting that the learned memory-restoration mechanism captures reusable principles of hidden-state inference rather than a system-specific local energy heuristic. These results position memory-restored world-state modeling as a promising route toward efficient, physically grounded, and transferable atomistic evolution.
