We also introduce a novel benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.

Vision-based tactile sensors (VBTS) face a fundamental trade-off in marker and markerless design on the tactile skin: opaque ink markers enable measurement of force and tangential displacement but completely occlude geometric features necessary for object and texture classification, while markerless skin preserves surface details but struggles in measuring tangential displacements effectively. Current practice to solve the above problem via UV lighting or virtual transfer using learning-based models introduces hardware complexity or computing burdens. This paper introduces MagicSkin, a novel tactile skin with translucent, tinted markers balancing the modes of marker and markerless for VBTS. It enables simultaneous tangential displacement tracking, force prediction, and surface detail preservation. This skin is easy to plug into GelSight-family sensors without requiring additional hardware or software tools. We comprehensively evaluate MagicSkin in downstream tasks. The translucent markers impressively enhance rather than degrade sensing performance compared with traditional markerless and inked marker design: it achieves best performance in object classification (99.17\%), texture classification (93.51\%), tangential displacement tracking (97\% point retention) and force prediction (66\% improvement in total force error). These experimental results demonstrate that translucent skin eliminates the traditional performance trade-off in marker or markerless modes, paving the way for multimodal tactile sensing essential in tactile robotics. See videos at this \href{https://zhuochenn.github.io/MagicSkin_project/}{link}.

Neural Information Processing Systems http://nips.cc/

We also introduce a novel benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks.

Machine learning potentials (MLPs) have become essential for large-scale atomistic simulations, enabling ab initio-level accuracy with computational efficiency. However, current MLPs struggle with uncertainty quantification, limiting their reliability for active learning, calibration, and out-of-distribution (OOD) detection. We address these challenges by developing Bayesian E(3) equivariant MLPs with iterative restratification of many-body message passing. Our approach introduces the joint energy-force negative log-likelihood (NLL$_\text{JEF}$) loss function, which explicitly models uncertainty in both energies and interatomic forces, yielding superior accuracy compared to conventional NLL losses. We systematically benchmark multiple Bayesian approaches, including deep ensembles with mean-variance estimation, stochastic weight averaging Gaussian, improved variational online Newton, and laplace approximation by evaluating their performance on uncertainty prediction, OOD detection, calibration, and active learning tasks. We further demonstrate that NLL$_\text{JEF}$ facilitates efficient active learning by quantifying energy and force uncertainties. Using Bayesian active learning by disagreement (BALD), our framework outperforms random sampling and energy-uncertainty-based sampling. Our results demonstrate that Bayesian MLPs achieve competitive accuracy with state-of-the-art models while enabling uncertainty-guided active learning, OOD detection, and energy/forces calibration. This work establishes Bayesian equivariant neural networks as a powerful framework for developing uncertainty-aware MLPs for atomistic simulations at scale.

Effectively utilizing multi-sensory data is important for robots to generalize across diverse tasks. However, the heterogeneous nature of these modalities makes fusion challenging. Existing methods propose strategies to obtain comprehensively fused features but often ignore the fact that each modality requires different levels of attention at different manipulation stages. To address this, we propose a force-guided attention fusion module that adaptively adjusts the weights of visual and tactile features without human labeling. We also introduce a self-supervised future force prediction auxiliary task to reinforce the tactile modality, improve data imbalance, and encourage proper adjustment. Our method achieves an average success rate of 93% across three fine-grained, contactrich tasks in real-world experiments. Further analysis shows that our policy appropriately adjusts attention to each modality at different manipulation stages. The videos can be viewed at https://adaptac-dex.github.io/.

Accurate understanding of muscle activation and muscle forces plays an essential role in neuro-rehabilitation and musculoskeletal disorder treatments. Computational musculoskeletal modeling has been widely used as a powerful non-invasive tool to estimate them through inverse dynamics using static optimization, but the inherent computational complexity results in time-consuming analysis. In this paper, we propose a knowledge-based deep learning framework for time-efficient inverse dynamic analysis, which can predict muscle activation and muscle forces from joint kinematic data directly while not requiring any label information during model training. The Bidirectional Gated Recurrent Unit (BiGRU) neural network is selected as the backbone of our model due to its proficient handling of time-series data. Prior physical knowledge from forward dynamics and pre-selected inverse dynamics based physiological criteria are integrated into the loss function to guide the training of neural networks. Experimental validations on two datasets, including one benchmark upper limb movement dataset and one self-collected lower limb movement dataset from six healthy subjects, are performed. The experimental results have shown that the selected BiGRU architecture outperforms other neural network models when trained using our specifically designed loss function, which illustrates the effectiveness and robustness of the proposed framework.

Deep learning has the potential to revolutionize quantum chemistry as it is ideally suited to learn representations for structured data and speed up the exploration of chemical space. While convolutional neural networks have proven to be the first choice for images, audio and video data, the atoms in molecules are not restricted to a grid. Instead, their precise locations contain essential physical information, that would get lost if discretized. Thus, we propose to use continuousfilter convolutional layers to be able to model local correlations without requiring the data to lie on a grid. We apply those layers in SchNet: a novel deep learning architecture modeling quantum interactions in molecules. We obtain a joint model for the total energy and interatomic forces that follows fundamental quantumchemical principles. Our architecture achieves state-of-the-art performance for benchmarks of equilibrium molecules and molecular dynamics trajectories. Finally, we introduce a more challenging benchmark with chemical and structural variations that suggests the path for further work.

Soft parallel robots with their manipulation safety and low commercial cost show a promising future for delicate operations and safe human-robot interactions. However, promoting the use of electroactive polymers (EAPs) is still challenging due to the under-improving quality of the product and the dynamic modelling of the collaborations between multiple actuators. This article presents the design, fabrication, modelling and control of a parallel kinematics Delta robot actuated by dielectric elastomer actuators (DEAs). The trade-off between the actuation force and stroke is retaken by an angular stroke amplification mechanism, and the weight of the robot frame is reduced by utilizing 3D puzzling strip structures. A generic way of constructing a high-stability conductive paint on a silicon-based film has been achieved by laser scanning the DE-film and then sandwiching a conductive particle-based electrode with a paint which is mixed by the particles and photosensitive resin. Compared to the wildly used carbon grease, the fabricated electrode shows a higher consistency in its dynamic behaviour before and after the on-stand test. Finally, to predict the output force and inverse motion of the robot end effector, we constructed the inverse dynamic model by introducing an expanded Bergstrom-Boyce model to the constitutive behavior of the dielectric film. The experimental results show a prediction of robot output force with RSME of 12.4% when the end effector remains stationary, and a well-followed trajectory with less than RSME 2.5%.

Tactile sensing plays a vital role in enabling robots to perform fine-grained, contact-rich tasks. However, the high dimensionality of tactile data, due to the large coverage on dexterous hands, poses significant challenges for effective tactile feature learning, especially for 3D tactile data, as there are no large standardized datasets and no strong pretrained backbones. To address these challenges, we propose a novel canonical representation that reduces the difficulty of 3D tactile feature learning and further introduces a force-based self-supervised pretraining task to capture both local and net force features, which are crucial for dexterous manipulation. Our method achieves an average success rate of 78% across four fine-grained, contact-rich dexterous manipulation tasks in real-world experiments, demonstrating effectiveness and robustness compared to other methods. Further analysis shows that our method fully utilizes both spatial and force information from 3D tactile data to accomplish the tasks. The videos can be viewed at https://3dtacdex.github.io.