# ElectrolyteFM: Unifying Electrolyte Property Prediction through Cross-Property Knowledge Learning

arXiv: https://arxiv.org/abs/2609.39340 · HTML: https://mlsanity.com/paper/2609.39340/

## Key facts

- No citing papers in the map yet (data through 14 Oct 2026).
- Builds on 19 of its 39 references that are in the map.
- First posted on arXiv 30 Sep 2026.

## Builds on (most cited first, 19 of 19)

- [XGBoost: A Scalable Tree Boosting System](https://mlsanity.com/paper/1603.02754/) (2016)
- [Gradient Surgery for Multi-Task Learning](https://mlsanity.com/paper/2001.06782/) (2020)
- [Taskonomy: Disentangling Task Transfer Learning](https://mlsanity.com/paper/1804.08328/) (2018)
- [Conflict-Averse Gradient Descent for Multi-task Learning](https://mlsanity.com/paper/2110.14048/) (2021)
- [Which Tasks Should Be Learned Together in Multi-task Learning?](https://mlsanity.com/paper/1905.07553/) (2019)
- [Efficiently Identifying Task Groupings for Multi-Task Learning](https://mlsanity.com/paper/2109.04617/) (2021)
- [Multi-Task Learning as a Bargaining Game](https://mlsanity.com/paper/2202.01017/) (2022)
- [Translation between Molecules and Natural Language](https://mlsanity.com/paper/2204.11817/) (2022)
- [FAMO: Fast Adaptive Multitask Optimization](https://mlsanity.com/paper/2306.03792/) (2023)
- [Recon: Reducing Conflicting Gradients from the Root for Multi-Task Learning](https://mlsanity.com/paper/2302.11289/) (2023)
- [Multi-Task Reinforcement Learning with Mixture of Orthogonal Experts](https://mlsanity.com/paper/2311.11385/) (2023)
- [TaskExpert: Dynamically Assembling Multi-Task Representations with Memorial Mixture-of-Experts](https://mlsanity.com/paper/2307.15324/) (2023)
- [HANNA: Hard-constraint Neural Network for Consistent Activity Coefficient Prediction](https://mlsanity.com/paper/2407.18011/) (2024)
- [Selective Task Group Updates for Multi-Task Optimization](https://mlsanity.com/paper/2502.11986/) (2025)
- [MeteoRA: Multiple-tasks Embedded LoRA for Large Language Models](https://mlsanity.com/paper/2405.13053/) (2024)
- [A predictive machine learning force field framework for liquid electrolyte development](https://mlsanity.com/paper/2404.07181/) (2024)
- [PEMT: Multi-Task Correlation Guided Mixture-of-Experts Enables Parameter-Efficient Transfer Learning](https://mlsanity.com/paper/2402.15082/) (2024)
- [Uni-ELF: A Multi-Level Representation Learning Framework for Electrolyte Formulation Design](https://mlsanity.com/paper/2407.06152/) (2024)
- [Geometric Mixture Models for Electrolyte Conductivity Prediction](https://mlsanity.com/paper/2510.15403/) (2025)

## Abstract (arXiv)

Electrolyte formulation design requires balancing multiple physicochemical properties, yet existing models often focus on a limited subset. Learning each property in isolation can overlook transferable chemical information, whereas indiscriminate sharing can introduce cross-property interference. Our directed transfer analysis shows that jointly learning two property prediction tasks can improve or degrade prediction relative to separate training, with asymmetric transfer effects between the tasks. We propose ElectrolyteFM, a unified multi-property prediction model which can more accurately predict multiple properties of each electrolyte by effectively identifying and utilizing property-specific features and knowledge shared across properties. More specifically, ElectrolyteFM learns property-specific representations independently and captures cross-property knowledge through a separately trained expert pool. A router selects relevant shared information for each formulation and target property, and property-specific residual adapters convert this information into corrections to the corresponding representation for prediction. Experiments on Electrolyte12 show that ElectrolyteFM reduces normalized mean absolute error averaged across 12 electrolyte properties by 14.8% relative to the strongest electrolyte-specific baseline. On an independent sodium-electrolyte dataset unseen during training, it reduces conductivity mean absolute error by 6.7% relative to the best-performing baseline.
