Yüan Shen

Lanqing Li, Liang Zeng, Ziqi Gao et al.

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is overlooked by the current literature but may severely compromise the fairness and generalization of machine learning applications. Motivated by this observation, we introduce ImDrug, a comprehensive benchmark with an open-source Python library which consists of 4 imbalance settings, 11 AI-ready datasets, 54 learning tasks and 16 baseline algorithms tailored for imbalanced learning. It provides an accessible and customizable testbed for problems and solutions spanning a broad spectrum of the drug discovery pipeline such as molecular modeling, drug-target interaction and retrosynthesis. We conduct extensive empirical studies with novel evaluation metrics, to demonstrate that the existing algorithms fall short of solving medicinal and pharmaceutical challenges in the data imbalance scenario. We believe that ImDrug opens up avenues for future research and development, on real-world challenges at the intersection of AIDD and deep imbalanced learning.

Chao Ren, Rudai Yan, Huihui Zhu et al.

Quantum Federated Learning (QFL) is an emerging interdisciplinary field that merges the principles of Quantum Computing (QC) and Federated Learning (FL), with the goal of leveraging quantum technologies to enhance privacy, security, and efficiency in the learning process. Currently, there is no comprehensive survey for this interdisciplinary field. This review offers a thorough, holistic examination of QFL. We aim to provide a comprehensive understanding of the principles, techniques, and emerging applications of QFL. We discuss the current state of research in this rapidly evolving field, identify challenges and opportunities associated with integrating these technologies, and outline future directions and open research questions. We propose a unique taxonomy of QFL techniques, categorized according to their characteristics and the quantum techniques employed. As the field of QFL continues to progress, we can anticipate further breakthroughs and applications across various industries, driving innovation and addressing challenges related to data privacy, security, and resource optimization. This review serves as a first-of-its-kind comprehensive guide for researchers and practitioners interested in understanding and advancing the field of QFL.

Shengze Wang, YoungJoong Kwon, Yuan Shen et al.

There have been significant advancements in dynamic novel view synthesis in recent years. However, current deep learning models often require (1) prior models (e.g., SMPL human models), (2) heavy pre-processing, or (3) per-scene optimization. We propose to utilize RGBD cameras to remove these limitations and synthesize free-viewpoint videos of dynamic indoor scenes. We generate feature point clouds from RGBD frames and then render them into free-viewpoint videos via a neural renderer. However, the inaccurate, unstable, and incomplete depth measurements induce severe distortions, flickering, and ghosting artifacts. We enforce spatial-temporal consistency via the proposed Cycle Reconstruction Consistency and Temporal Stabilization module to reduce these artifacts. We introduce a simple Regional Depth-Inpainting module that adaptively inpaints missing depth values to render complete novel views. Additionally, we present a Human-Things Interactions dataset to validate our approach and facilitate future research. The dataset consists of 43 multi-view RGBD video sequences of everyday activities, capturing complex interactions between human subjects and their surroundings. Experiments on the HTI dataset show that our method outperforms the baseline per-frame image fidelity and spatial-temporal consistency. We will release our code, and the dataset on the website soon.

Zilun Zhang, Cuifeng Shen, Yuan Shen et al.

Although CLIP-like Visual Language Models provide a functional joint feature space for image and text, due to the limitation of the CILP-like model's image input size (e.g., 224), subtle details are lost in the feature representation if we input high-resolution images (e.g., 2240). Our proposed framework addresses this issue by generating a single feature representation for a high-resolution image that retains image details from different scales while sharing the same semantic space as the original CLIP. An application scenario is remote sensing text-image retrieval, where targets (e.g., vehicles and ships) often appear at tiny scales. To achieve this, we develop a feature fusion model that relies on CLIP features extracted from a carefully designed image patch method, dubbed Complete Cover. This method ensures comprehensive coverage of objects across various scales and is weakly supervised by image-agnostic class prompted queries. We evaluate our framework's performance using real-world and synthetic datasets, demonstrating significant improvements in image retrieval tasks based on class prompted queries. To further showcase our framework's capability in detail retrieval, we introduce a CLEVR-like synthetic dataset, named CLVER-DS. This fully annotated dataset offers a controllable object scale, allowing for a more thorough examination of our approach's effectiveness.Our code is publicly available at https://github.com/zilunzhang/DetailCLIP

Zilun Zhang, Cuifeng Shen, Yuan Shen et al.

Although CLIP-like Visual Language Models provide a functional joint feature space for image and text, due to the limitation of the CILP-like model's image input size (e.g., 224), subtle details are lost in the feature representation if we input high-resolution images (e.g., 2240). In this work, we introduce an efficient framework that can produce a single feature representation for a high-resolution image that injects image details and shares the same semantic space as the original CLIP. In the framework, we train a feature fusing model based on CLIP features extracted from a carefully designed image patch method that can cover objects of any scale, weakly supervised by image-agnostic class prompted queries. We validate our framework by retrieving images from class prompted queries on the real world and synthetic datasets, showing significant performance improvement on these tasks. Furthermore, to fully demonstrate our framework's detail retrieval ability, we construct a CLEVR-like synthetic dataset called CLVER-DS, which is fully annotated and has a controllable object scale.

Yuan Shen, Niviru Wijayaratne, Pranav Sriram et al.

The task of driver attention prediction has drawn considerable interest among researchers in robotics and the autonomous vehicle industry. Driver attention prediction can play an instrumental role in mitigating and preventing high-risk events, like collisions and casualties. However, existing driver attention prediction models neglect the distraction state and intention of the driver, which can significantly influence how they observe their surroundings. To address these issues, we present a new driver attention dataset, CoCAtt (Cognitive-Conditioned Attention). Unlike previous driver attention datasets, CoCAtt includes per-frame annotations that describe the distraction state and intention of the driver. In addition, the attention data in our dataset is captured in both manual and autopilot modes using eye-tracking devices of different resolutions. Our results demonstrate that incorporating the above two driver states into attention modeling can improve the performance of driver attention prediction. To the best of our knowledge, this work is the first to provide autopilot attention data. Furthermore, CoCAtt is currently the largest and the most diverse driver attention dataset in terms of autonomy levels, eye tracker resolutions, and driving scenarios. CoCAtt is available for download at https://cocatt-dataset.github.io.

Yizhou Fan, Luzhen Tang, Huixiao Le et al.

With the continuous development of technological and educational innovation, learners nowadays can obtain a variety of support from agents such as teachers, peers, education technologies, and recently, generative artificial intelligence such as ChatGPT. The concept of hybrid intelligence is still at a nascent stage, and how learners can benefit from a symbiotic relationship with various agents such as AI, human experts and intelligent learning systems is still unknown. The emerging concept of hybrid intelligence also lacks deep insights and understanding of the mechanisms and consequences of hybrid human-AI learning based on strong empirical research. In order to address this gap, we conducted a randomised experimental study and compared learners' motivations, self-regulated learning processes and learning performances on a writing task among different groups who had support from different agents (ChatGPT, human expert, writing analytics tools, and no extra tool). A total of 117 university students were recruited, and their multi-channel learning, performance and motivation data were collected and analysed. The results revealed that: learners who received different learning support showed no difference in post-task intrinsic motivation; there were significant differences in the frequency and sequences of the self-regulated learning processes among groups; ChatGPT group outperformed in the essay score improvement but their knowledge gain and transfer were not significantly different. Our research found that in the absence of differences in motivation, learners with different supports still exhibited different self-regulated learning processes, ultimately leading to differentiated performance. What is particularly noteworthy is that AI technologies such as ChatGPT may promote learners' dependence on technology and potentially trigger metacognitive laziness.

Yuanfan Xu, Jincheng Yu, Jiahao Tang et al.

Autonomous exploration and mapping of unknown terrains employing single or multiple robots is an essential task in mobile robotics and has therefore been widely investigated. Nevertheless, given the lack of unified data sets, metrics, and platforms to evaluate the exploration approaches, we develop an autonomous robot exploration benchmark entitled Explore-Bench. The benchmark involves various exploration scenarios and presents two types of quantitative metrics to evaluate exploration efficiency and multi-robot cooperation. Explore-Bench is extremely useful as, recently, deep reinforcement learning (DRL) has been widely used for robot exploration tasks and achieved promising results. However, training DRL-based approaches requires large data sets, and additionally, current benchmarks rely on realistic simulators with a slow simulation speed, which is not appropriate for training exploration strategies. Hence, to support efficient DRL training and comprehensive evaluation, the suggested Explore-Bench designs a 3-level platform with a unified data flow and $12 \times$ speed-up that includes a grid-based simulator for fast evaluation and efficient training, a realistic Gazebo simulator, and a remotely accessible robot testbed for high-accuracy tests in physical environments. The practicality of the proposed benchmark is highlighted with the application of one DRL-based and three frontier-based exploration approaches. Furthermore, we analyze the performance differences and provide some insights about the selection and design of exploration methods. Our benchmark is available at https://github.com/efc-robot/Explore-Bench.

Albert J. Zhai, Yuan Shen, Emily Y. Chen et al.

Can computers perceive the physical properties of objects solely through vision? Research in cognitive science and vision science has shown that humans excel at identifying materials and estimating their physical properties based purely on visual appearance. In this paper, we present a novel approach for dense prediction of the physical properties of objects using a collection of images. Inspired by how humans reason about physics through vision, we leverage large language models to propose candidate materials for each object. We then construct a language-embedded point cloud and estimate the physical properties of each 3D point using a zero-shot kernel regression approach. Our method is accurate, annotation-free, and applicable to any object in the open world. Experiments demonstrate the effectiveness of the proposed approach in various physical property reasoning tasks, such as estimating the mass of common objects, as well as other properties like friction and hardness.

Yuanyuan Yang, Yuan Shen, Tianchen Sun et al.

Free play is a fundamental aspect of early childhood education, supporting children's cognitive, social, emotional, and motor development. However, assessing children's development during free play poses significant challenges due to the unstructured and spontaneous nature of the activity. Traditional assessment methods often rely on direct observations by teachers, parents, or researchers, which may fail to capture comprehensive insights from free play and provide timely feedback to educators. This study proposes an innovative approach combining Large Language Models (LLMs) with learning analytics to analyze children's self-narratives of their play experiences. The LLM identifies developmental abilities, while performance scores across different play settings are calculated using learning analytics techniques. We collected 2,224 play narratives from 29 children in a kindergarten, covering four distinct play areas over one semester. According to the evaluation results from eight professionals, the LLM-based approach achieved high accuracy in identifying cognitive, motor, and social abilities, with accuracy exceeding 90% in most domains. Moreover, significant differences in developmental outcomes were observed across play settings, highlighting each area's unique contributions to specific abilities. These findings confirm that the proposed approach is effective in identifying children's development across various free play settings. This study demonstrates the potential of integrating LLMs and learning analytics to provide child-centered insights into developmental trajectories, offering educators valuable data to support personalized learning and enhance early childhood education practices.

Hongyu Song, Jincheng Yu, Jiantao Qiu et al.

For scenes such as floods and earthquakes, the disaster area is large, and rescue time is tight. Multi-UAV exploration is more efficient than a single UAV. Existing UAV exploration work is modeled as a Coverage Path Planning (CPP) task to achieve full coverage of the area in the presence of obstacles. However, the endurance capability of UAV is limited, and the rescue time is urgent. Thus, even using multiple UAVs cannot achieve complete disaster area coverage in time. Therefore, in this paper we propose a multi-Agent Endurance-limited CPP (MAEl-CPP) problem based on a priori heatmap of the disaster area, which requires the exploration of more valuable areas under limited energy. Furthermore, we propose a path planning algorithm for the MAEl-CPP problem, by ranking the possible disaster areas according to their importance through satellite or remote aerial images and completing path planning according to the importance level. Experimental results show that our proposed algorithm is at least twice as effective as the existing method in terms of search efficiency.

Yuzi Yan, Xiaoxiang Li, Xinyou Qiu et al.

Multi-agent formation as well as obstacle avoidance is one of the most actively studied topics in the field of multi-agent systems. Although some classic controllers like model predictive control (MPC) and fuzzy control achieve a certain measure of success, most of them require precise global information which is not accessible in harsh environments. On the other hand, some reinforcement learning (RL) based approaches adopt the leader-follower structure to organize different agents' behaviors, which sacrifices the collaboration between agents thus suffering from bottlenecks in maneuverability and robustness. In this paper, we propose a distributed formation and obstacle avoidance method based on multi-agent reinforcement learning (MARL). Agents in our system only utilize local and relative information to make decisions and control themselves distributively. Agent in the multi-agent system will reorganize themselves into a new topology quickly in case that any of them is disconnected. Our method achieves better performance regarding formation error, formation convergence rate and on-par success rate of obstacle avoidance compared with baselines (both classic control methods and another RL-based method). The feasibility of our method is verified by both simulation and hardware implementation with Ackermann-steering vehicles.

Santiago Mazuelas, Yuan Shen, Aritz Pérez

The maximum entropy principle advocates to evaluate events' probabilities using a distribution that maximizes entropy among those that satisfy certain expectations' constraints. Such principle can be generalized for arbitrary decision problems where it corresponds to minimax approaches. This paper establishes a framework for supervised classification based on the generalized maximum entropy principle that leads to minimax risk classifiers (MRCs). We develop learning techniques that determine MRCs for general entropy functions and provide performance guarantees by means of convex optimization. In addition, we describe the relationship of the presented techniques with existing classification methods, and quantify MRCs performance in comparison with the proposed bounds and conventional methods.