Siamese Foundation Models for Crystal Structure Prediction

Crystal Structure Prediction (CSP), which aims to generate stable crystal structures from compositions, represents a critical pathway for discovering novel materials. While structure prediction tasks in other domains, such as proteins, have seen remarkable progress, CSP remains a relatively underexplored area due to the more complex geometries inherent in crystal structures. In this paper, we propose Siamese foundation models specifically designed to address CSP. Our pretrain-finetune framework, named DAO, comprises two complementary foundation models: DAO-G for structure generation and DAO-P for energy prediction. Experiments on CSP benchmarks (MP-20 and MPTS-52) demonstrate that our DAO-G significantly surpasses state-of-the-art (SOTA) methods across all metrics. Extensive ablation studies further confirm that DAO-G excels in generating diverse polymorphic structures, and the dataset relaxation and energy guidance provided by DAO-P are essential for enhancing DAO-G's performance. When applied to three real-world superconductors ($\text{CsV}_3\text{Sb}_5$, $ \text{Zr}_{16}\text{Rh}_8\text{O}_4$ and $\text{Zr}_{16}\text{Pd}_8\text{O}_4$) that are known to be challenging to analyze, our foundation models achieve accurate critical temperature predictions and structure generations. For instance, on $\text{CsV}_3\text{Sb}_5$, DAO-G generates a structure close to the experimental one with an RMSE of 0.0085; DAO-P predicts the $T_c$ value with high accuracy (2.26 K vs. the ground-truth value of 2.30 K). In contrast, conventional DFT calculators like Quantum Espresso only successfully derive the structure of the first superconductor within an acceptable time, while the RMSE is nearly 8 times larger, and the computation speed is more than 1000 times slower. These compelling results collectively highlight the potential of our approach for advancing materials science research and development.

Tacchi 2.0: A Low Computational Cost and Comprehensive Dynamic Contact Simulator for Vision-based Tactile Sensors

With the development of robotics technology, some tactile sensors, such as vision-based sensors, have been applied to contact-rich robotics tasks. However, the durability of vision-based tactile sensors significantly increases the cost of tactile information acquisition. Utilizing simulation to generate tactile data has emerged as a reliable approach to address this issue. While data-driven methods for tactile data generation lack robustness, finite element methods (FEM) based approaches require significant computational costs. To address these issues, we integrated a pinhole camera model into the low computational cost vision-based tactile simulator Tacchi that used the Material Point Method (MPM) as the simulated method, completing the simulation of marker motion images. We upgraded Tacchi and introduced Tacchi 2.0. This simulator can simulate tactile images, marked motion images, and joint images under different motion states like pressing, slipping, and rotating. Experimental results demonstrate the reliability of our method and its robustness across various vision-based tactile sensors.

Time Series Domain Adaptation via Latent Invariant Causal Mechanism

Time series domain adaptation aims to transfer the complex temporal dependence from the labeled source domain to the unlabeled target domain. Recent advances leverage the stable causal mechanism over observed variables to model the domain-invariant temporal dependence. However, modeling precise causal structures in high-dimensional data, such as videos, remains challenging. Additionally, direct causal edges may not exist among observed variables (e.g., pixels). These limitations hinder the applicability of existing approaches to real-world scenarios. To address these challenges, we find that the high-dimension time series data are generated from the low-dimension latent variables, which motivates us to model the causal mechanisms of the temporal latent process. Based on this intuition, we propose a latent causal mechanism identification framework that guarantees the uniqueness of the reconstructed latent causal structures. Specifically, we first identify latent variables by utilizing sufficient changes in historical information. Moreover, by enforcing the sparsity of the relationships of latent variables, we can achieve identifiable latent causal structures. Built on the theoretical results, we develop the Latent Causality Alignment (LCA) model that leverages variational inference, which incorporates an intra-domain latent sparsity constraint for latent structure reconstruction and an inter-domain latent sparsity constraint for domain-invariant structure reconstruction. Experiment results on eight benchmarks show a general improvement in the domain-adaptive time series classification and forecasting tasks, highlighting the effectiveness of our method in real-world scenarios. Codes are available at https://github.com/DMIRLAB-Group/LCA.

Pick-and-place Manipulation Across Grippers Without Retraining: A Learning-optimization Diffusion Policy Approach

Current robotic pick-and-place policies typically require consistent gripper configurations across training and inference. This constraint imposes high retraining or fine-tuning costs, especially for imitation learning-based approaches, when adapting to new end-effectors. To mitigate this issue, we present a diffusion-based policy with a hybrid learning-optimization framework, enabling zero-shot adaptation to novel grippers without additional data collection for retraining policy. During training, the policy learns manipulation primitives from demonstrations collected using a base gripper. At inference, a diffusion-based optimization strategy dynamically enforces kinematic and safety constraints, ensuring that generated trajectories align with the physical properties of unseen grippers. This is achieved through a constrained denoising procedure that adapts trajectories to gripper-specific parameters (e.g., tool-center-point offsets, jaw widths) while preserving collision avoidance and task feasibility. We validate our method on a Franka Panda robot across six gripper configurations, including 3D-printed fingertips, flexible silicone gripper, and Robotiq 2F-85 gripper. Our approach achieves a 93.3% average task success rate across grippers (vs. 23.3-26.7% for diffusion policy baselines), supporting tool-center-point variations of 16-23.5 cm and jaw widths of 7.5-11.5 cm. The results demonstrate that constrained diffusion enables robust cross-gripper manipulation while maintaining the sample efficiency of imitation learning, eliminating the need for gripper-specific retraining. Video and code are available at https://github.com/yaoxt3/GADP.

Video2Reward: Generating Reward Function from Videos for Legged Robot Behavior Learning

Learning behavior in legged robots presents a significant challenge due to its inherent instability and complex constraints. Recent research has proposed the use of a large language model (LLM) to generate reward functions in reinforcement learning, thereby replacing the need for manually designed rewards by experts. However, this approach, which relies on textual descriptions to define learning objectives, fails to achieve controllable and precise behavior learning with clear directionality. In this paper, we introduce a new video2reward method, which directly generates reward functions from videos depicting the behaviors to be mimicked and learned. Specifically, we first process videos containing the target behaviors, converting the motion information of individuals in the videos into keypoint trajectories represented as coordinates through a video2text transforming module. These trajectories are then fed into an LLM to generate the reward function, which in turn is used to train the policy. To enhance the quality of the reward function, we develop a video-assisted iterative reward refinement scheme that visually assesses the learned behaviors and provides textual feedback to the LLM. This feedback guides the LLM to continually refine the reward function, ultimately facilitating more efficient behavior learning. Experimental results on tasks involving bipedal and quadrupedal robot motion control demonstrate that our method surpasses the performance of state-of-the-art LLM-based reward generation methods by over 37.6% in terms of human normalized score. More importantly, by switching video inputs, we find our method can rapidly learn diverse motion behaviors such as walking and running.

Medical Multimodal Foundation Models in Clinical Diagnosis and Treatment: Applications, Challenges, and Future Directions

Recent advancements in deep learning have significantly revolutionized the field of clinical diagnosis and treatment, offering novel approaches to improve diagnostic precision and treatment efficacy across diverse clinical domains, thus driving the pursuit of precision medicine. The growing availability of multi-organ and multimodal datasets has accelerated the development of large-scale Medical Multimodal Foundation Models (MMFMs). These models, known for their strong generalization capabilities and rich representational power, are increasingly being adapted to address a wide range of clinical tasks, from early diagnosis to personalized treatment strategies. This review offers a comprehensive analysis of recent developments in MMFMs, focusing on three key aspects: datasets, model architectures, and clinical applications. We also explore the challenges and opportunities in optimizing multimodal representations and discuss how these advancements are shaping the future of healthcare by enabling improved patient outcomes and more efficient clinical workflows.

Rethinking Generalizability and Discriminability of Self-Supervised Learning from Evolutionary Game Theory Perspective

Representations learned by self-supervised approaches are generally considered to possess sufficient generalizability and discriminability. However, we disclose a nontrivial mutual-exclusion relationship between these critical representation properties through an exploratory demonstration on self-supervised learning. State-of-the-art self-supervised methods tend to enhance either generalizability or discriminability but not both simultaneously. Thus, learning representations jointly possessing strong generalizability and discriminability presents a specific challenge for self-supervised learning. To this end, we revisit the learning paradigm of self-supervised learning from the perspective of evolutionary game theory (EGT) and outline the theoretical roadmap to achieve a desired trade-off between these representation properties. EGT performs well in analyzing the trade-off point in a two-player game by utilizing dynamic system modeling. However, the EGT analysis requires sufficient annotated data, which contradicts the principle of self-supervised learning, i.e., the EGT analysis cannot be conducted without the annotations of the specific target domain for self-supervised learning. Thus, to enhance the methodological generalization, we propose a novel self-supervised learning method that leverages advancements in reinforcement learning to jointly benefit from the general guidance of EGT and sequentially optimize the model to chase the consistent improvement of generalizability and discriminability for specific target domains during pre-training. Theoretically, we establish that the proposed method tightens the generalization error upper bound of self-supervised learning. Empirically, our method achieves state-of-the-art performance on various benchmarks.

DiffDesign: Controllable Diffusion with Meta Prior for Efficient Interior Design Generation

Interior design is a complex and creative discipline involving aesthetics, functionality, ergonomics, and materials science. Effective solutions must meet diverse requirements, typically producing multiple deliverables such as renderings and design drawings from various perspectives. Consequently, interior design processes are often inefficient and demand significant creativity. With advances in machine learning, generative models have emerged as a promising means of improving efficiency by creating designs from text descriptions or sketches. However, few generative works focus on interior design, leading to substantial discrepancies between outputs and practical needs, such as differences in size, spatial scope, and the lack of controllable generation quality. To address these challenges, we propose DiffDesign, a controllable diffusion model with meta priors for efficient interior design generation. Specifically, we utilize the generative priors of a 2D diffusion model pre-trained on a large image dataset as our rendering backbone. We further guide the denoising process by disentangling cross-attention control over design attributes, such as appearance, pose, and size, and introduce an optimal transfer-based alignment module to enforce view consistency. Simultaneously, we construct an interior design-specific dataset, DesignHelper, consisting of over 400 solutions across more than 15 spatial types and 15 design styles. This dataset helps fine-tune DiffDesign. Extensive experiments conducted on various benchmark datasets demonstrate the effectiveness and robustness of DiffDesign.

On the Generalization and Causal Explanation in Self-Supervised Learning

Self-supervised learning (SSL) methods learn from unlabeled data and achieve high generalization performance on downstream tasks. However, they may also suffer from overfitting to their training data and lose the ability to adapt to new tasks. To investigate this phenomenon, we conduct experiments on various SSL methods and datasets and make two observations: (1) Overfitting occurs abruptly in later layers and epochs, while generalizing features are learned in early layers for all epochs; (2) Coding rate reduction can be used as an indicator to measure the degree of overfitting in SSL models. Based on these observations, we propose Undoing Memorization Mechanism (UMM), a plug-and-play method that mitigates overfitting of the pre-trained feature extractor by aligning the feature distributions of the early and the last layers to maximize the coding rate reduction of the last layer output. The learning process of UMM is a bi-level optimization process. We provide a causal analysis of UMM to explain how UMM can help the pre-trained feature extractor overcome overfitting and recover generalization. We also demonstrate that UMM significantly improves the generalization performance of SSL methods on various downstream tasks.

EHC-MM: Embodied Holistic Control for Mobile Manipulation

Mobile manipulation typically entails the base for mobility, the arm for accurate manipulation, and the camera for perception. It is necessary to follow the principle of Distant Mobility, Close Grasping(DMCG) in holistic control. We propose Embodied Holistic Control for Mobile Manipulation(EHC-MM) with the embodied function of sig(w): By formulating the DMCG principle as a Quadratic Programming (QP) problem, sig(w) dynamically balances the robot's emphasis between movement and manipulation with the consideration of the robot's state and environment. In addition, we propose the Monitor-Position-Based Servoing (MPBS) with sig(w), enabling the tracking of the target during the operation. This approach allows coordinated control between the robot's base, arm, and camera. Through extensive simulations and real-world experiments, our approach significantly improves both the success rate and efficiency of mobile manipulation tasks, achieving a 95.6% success rate in the real-world scenarios and a 52.8% increase in time efficiency.