The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown encouraging abilities in the discovery of new materials. The core strength of MatPilot is its natural language interactive human-machine collaboration, which augments the research capabilities of human scientist teams through a multi-agent system. MatPilot integrates unique cognitive abilities, extensive accumulated experience, and ongoing curiosity of human-beings with the AI agents' capabilities of advanced abstraction, complex knowledge storage and high-dimensional information processing. It could generate scientific hypotheses and experimental schemes, and employ predictive models and optimization algorithms to drive an automated experimental platform for experiments. It turns out that our system demonstrates capabilities for efficient validation, continuous learning, and iterative optimization.

Grasping has been a crucial but challenging problem in robotics for many years. One of the most important challenges is how to make grasping generalizable and robust to novel objects as well as grippers in unstructured environments. We present \regnet, a robotic grasping system that can adapt to different parallel jaws to grasp diversified objects. To support different grippers, \regnet embeds the gripper parameters into point clouds, based on which it predicts suitable grasp configurations. It includes three components: Score Network (SN), Grasp Region Network (GRN), and Refine Network (RN). In the first stage, SN is used to filter suitable points for grasping by grasp confidence scores. In the second stage, based on the selected points, GRN generates a set of grasp proposals. Finally, RN refines the grasp proposals for more accurate and robust predictions. We devise an analytic policy to choose the optimal grasp to be executed from the predicted grasp set. To train \regnet, we construct a large-scale grasp dataset containing collision-free grasp configurations using different parallel-jaw grippers. The experimental results demonstrate that \regnet with the analytic policy achieves the highest success rate of $74.98\%$ in real-world clutter scenes with $20$ objects, significantly outperforming several state-of-the-art methods, including GPD, PointNetGPD, and S4G. The code and dataset are available at https://github.com/zhaobinglei/REGNet-V2.

To address the challenge of short-term object pose tracking in dynamic environments with monocular RGB input, we introduce a large-scale synthetic dataset OmniPose6D, crafted to mirror the diversity of real-world conditions. We additionally present a benchmarking framework for a comprehensive comparison of pose tracking algorithms. We propose a pipeline featuring an uncertainty-aware keypoint refinement network, employing probabilistic modeling to refine pose estimation. Comparative evaluations demonstrate that our approach achieves performance superior to existing baselines on real datasets, underscoring the effectiveness of our synthetic dataset and refinement technique in enhancing tracking precision in dynamic contexts. Our contributions set a new precedent for the development and assessment of object pose tracking methodologies in complex scenes.

Recent progress in generative models has stimulated significant innovations in many fields, such as image generation and chatbots. Despite their success, these models often produce sketchy and misleading solutions for complex multi-agent decision-making problems because they miss the trial-and-error experience and reasoning as humans. To address this limitation, we explore a paradigm that integrates a language-guided simulator into the multi-agent reinforcement learning pipeline to enhance the generated answer. The simulator is a world model that separately learns dynamics and reward, where the dynamics model comprises an image tokenizer as well as a causal transformer to generate interaction transitions autoregressively, and the reward model is a bidirectional transformer learned by maximizing the likelihood of trajectories in the expert demonstrations under language guidance. Given an image of the current state and the task description, we use the world model to train the joint policy and produce the image sequence as the answer by running the converged policy on the dynamics model. The empirical results demonstrate that this framework can improve the answers for multi-agent decision-making problems by showing superior performance on the training and unseen tasks of the StarCraft Multi-Agent Challenge benchmark. In particular, it can generate consistent interaction sequences and explainable reward functions at interaction states, opening the path for training generative models of the future.

Existing studies of training state-of-the-art Contrastive Language-Image Pretraining (CLIP) models on large-scale data involve hundreds of or even thousands of GPUs due to the requirement of a large batch size. However, such a large amount of resources is not accessible to most people. While advanced compositional optimization techniques for optimizing global contrastive losses have been demonstrated effective for removing the requirement of large batch size, their performance on large-scale data remains underexplored and not optimized. To bridge the gap, this paper explores several aspects of CLIP training with limited resources (e.g., up to tens of GPUs). First, we introduce FastCLIP, a general CLIP training framework built on advanced compositional optimization techniques while designed and optimized for the distributed setting. Our framework is equipped with an efficient gradient reduction strategy to reduce communication overhead. Second, to further boost training efficiency, we investigate three components of the framework from an optimization perspective: the schedule of the inner learning rate, the update rules of the temperature parameter and the model parameters, respectively. Experiments on different strategies for each component shed light on how to conduct CLIP training more efficiently. Finally, we benchmark the performance of FastCLIP and the state-of-the-art training baseline (OpenCLIP) on different compute scales up to 32 GPUs on 8 nodes, and three data scales ranging from 2.7 million, 9.1 million to 315 million image-text pairs to demonstrate the significant improvement of FastCLIP in the resource-limited setting.

The identification of phenotypes within complex diseases or syndromes is a fundamental component of precision medicine, which aims to adapt healthcare to individual patient characteristics. Postoperative delirium (POD) is a complex neuropsychiatric condition with significant heterogeneity in its clinical manifestations and underlying pathophysiology. We hypothesize that POD comprises several distinct phenotypes, which cannot be directly observed in clinical practice. Identifying these phenotypes could enhance our understanding of POD pathogenesis and facilitate the development of targeted prevention and treatment strategies. In this paper, we propose an approach that combines supervised machine learning for personalized POD risk prediction with unsupervised clustering techniques to uncover potential POD phenotypes. We first demonstrate our approach using synthetic data, where we simulate patient cohorts with predefined phenotypes based on distinct sets of informative features. We aim to mimic any clinical disease with our synthetic data generation method. By training a predictive model and applying SHAP, we show that clustering patients in the SHAP feature importance space successfully recovers the true underlying phenotypes, outperforming clustering in the raw feature space. We then present a case study using real-world data from a cohort of elderly surgical patients. The results showcase the utility of our approach in uncovering clinically relevant subtypes of complex disorders like POD, paving the way for more precise and personalized treatment strategies.

Irregular multivariate time series data is characterized by varying time intervals between consecutive observations of measured variables/signals (i.e., features) and varying sampling rates (i.e., recordings/measurement) across these features. Modeling time series while taking into account these irregularities is still a challenging task for machine learning methods. Here, we introduce TADA, a Two-stageAggregation process with Dynamic local Attention to harmonize time-wise and feature-wise irregularities in multivariate time series. In the first stage, the irregular time series undergoes temporal embedding (TE) using all available features at each time step. This process preserves the contribution of each available feature and generates a fixed-dimensional representation per time step. The second stage introduces a dynamic local attention (DLA) mechanism with adaptive window sizes. DLA aggregates time recordings using feature-specific windows to harmonize irregular time intervals capturing feature-specific sampling rates. Then hierarchical MLP mixer layers process the output of DLA through multiscale patching to leverage information at various scales for the downstream tasks. TADA outperforms state-of-the-art methods on three real-world datasets, including the latest MIMIC IV dataset, and highlights its effectiveness in handling irregular multivariate time series and its potential for various real-world applications.

Effective exploration is crucial to discovering optimal strategies for multi-agent reinforcement learning (MARL) in complex coordination tasks. Existing methods mainly utilize intrinsic rewards to enable committed exploration or use role-based learning for decomposing joint action spaces instead of directly conducting a collective search in the entire action-observation space. However, they often face challenges obtaining specific joint action sequences to reach successful states in long-horizon tasks. To address this limitation, we propose Imagine, Initialize, and Explore (IIE), a novel method that offers a promising solution for efficient multi-agent exploration in complex scenarios. IIE employs a transformer model to imagine how the agents reach a critical state that can influence each other's transition functions. Then, we initialize the environment at this state using a simulator before the exploration phase. We formulate the imagination as a sequence modeling problem, where the states, observations, prompts, actions, and rewards are predicted autoregressively. The prompt consists of timestep-to-go, return-to-go, influence value, and one-shot demonstration, specifying the desired state and trajectory as well as guiding the action generation. By initializing agents at the critical states, IIE significantly increases the likelihood of discovering potentially important under-explored regions. Despite its simplicity, empirical results demonstrate that our method outperforms multi-agent exploration baselines on the StarCraft Multi-Agent Challenge (SMAC) and SMACv2 environments. Particularly, IIE shows improved performance in the sparse-reward SMAC tasks and produces more effective curricula over the initialized states than other generative methods, such as CVAE-GAN and diffusion models.

Word-Level Auto-Completion (WLAC) plays a crucial role in Computer-Assisted Translation. It aims at providing word-level auto-completion suggestions for human translators. While previous studies have primarily focused on designing complex model architectures, this paper takes a different perspective by rethinking the fundamental question: what kind of words are good auto-completions? We introduce a measurable criterion to answer this question and discover that existing WLAC models often fail to meet this criterion. Building upon this observation, we propose an effective approach to enhance WLAC performance by promoting adherence to the criterion. Notably, the proposed approach is general and can be applied to various encoder-based architectures. Through extensive experiments, we demonstrate that our approach outperforms the top-performing system submitted to the WLAC shared tasks in WMT2022, while utilizing significantly smaller model sizes.

Webly supervised learning has attracted increasing attention for its effectiveness in exploring publicly accessible data at scale without manual annotation. However, most existing methods of learning with web datasets are faced with challenges from label noise, and they have limited assumptions on clean samples under various noise. For instance, web images retrieved with queries of tiger cat (a cat species) and drumstick (a musical instrument) are almost dominated by images of tigers and chickens, which exacerbates the challenge of fine-grained visual concept learning. In this case, exploiting both web images and their associated texts is a requisite solution to combat real-world noise. In this paper, we propose Cross-modality Aligned Prototypes (CAPro), a unified prototypical contrastive learning framework to learn visual representations with correct semantics. For one thing, we leverage textual prototypes, which stem from the distinct concept definition of classes, to select clean images by text matching and thus disambiguate the formation of visual prototypes. For another, to handle missing and mismatched noisy texts, we resort to the visual feature space to complete and enhance individual texts and thereafter improve text matching. Such semantically aligned visual prototypes are further polished up with high-quality samples, and engaged in both cluster regularization and noise removal. Besides, we propose collective bootstrapping to encourage smoother and wiser label reference from appearance-similar instances in a manner of dictionary look-up. Extensive experiments on WebVision1k and NUS-WIDE (Web) demonstrate that CAPro well handles realistic noise under both single-label and multi-label scenarios. CAPro achieves new state-of-the-art performance and exhibits robustness to open-set recognition. Codes are available at https://github.com/yuleiqin/capro.