Jaegul Choo

Youngwoo Cho, Seunghoon Yi, Wooil Yang et al.

Pre-trained materials foundation models, or machine learning interatomic potentials, leverage general physicochemical knowledge to effectively approximate potential energy surfaces. However, they often require domain-specific calibration due to physicochemical diversity as well as mismatches between practical computational settings and those used in constructing the pre-training data. To address this, we propose a sparsity-promoting fine-tuning method that selectively updates model parameters by exploiting the structural properties of E(3)-equivariant materials foundation models. On energy and force prediction tasks across molecular and crystalline benchmarks, our method matches or surpasses full fine-tuning and equivariant low-rank adaptation while updating only $\sim$3~\% of parameters, and in some cases as little as $\sim$0.5~\%. Beyond energy and force calibration, we further demonstrate task generalizability by applying our method to magnetic moment prediction and magnetism-aware total energy modeling. Finally, analysis of sparsity patterns reveals physically interpretable signatures, such as enhanced $d$-orbital contributions in transition metal systems. Overall, our results establish sparsity-promoting fine-tuning as a flexible and interpretable method for domain specialization of equivariant materials foundation models.

Kinam Kim, Namiko Saito, Heecheol Kim et al.

Vision-Language-Action (VLA) models can generalize across diverse manipulation tasks, but their imitation-learning-based policies remain brittle in precise physical interactions due to compounding execution errors; Can a reinforcement learning policy trained purely in simulation improve the robustness of real-world VLAs zero-shot? Residual RL, which learns a corrective policy on top of a frozen VLA, offers a natural framework, but existing approaches face a fundamental sim-to-real dilemma: privileged-state methods require lossy distillation for deployment; image-based methods suffer from the visual domain gap; and real-world RL is costly and unsafe. We propose an object-centric residual RL framework that refines VLA actions using object poses, enabling a compact observation space that transfers consistently between simulation and reality. To align the two domains, we additionally replay the same teleoperation demonstrations in simulation to train a sim counterpart of the real-world VLA. The residual RL policy is trained only in simulation with pose noise injection and dropout, and transfers zero-shot to the real robot. Across five manipulation tasks on a real Franka Research 3 (FR3) robot, our method improves the success rate from 42% to 76% zero-shot, and the improved rollouts can be further reused to retrain the base VLA for self-improvement without additional teleoperation. Project page: https://www.microsoft.com/en-us/research/articles/object-centric-residual-rl/