Xinzhe Zheng

Haoyang Su, Renqi Chen, Shixiang Tang et al.

The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery. Although recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation and experimental design, they fall short of replicating the collaborative nature of real-world scientific practices, where diverse experts work together in teams to tackle complex problems. To address the limitations, we propose an LLM-based multi-agent system, i.e., Virtual Scientists (VirSci), designed to mimic the teamwork inherent in scientific research. VirSci organizes a team of agents to collaboratively generate, evaluate, and refine research ideas. Through comprehensive experiments, we demonstrate that this multi-agent approach outperforms the state-of-the-art method in producing novel scientific ideas. We further investigate the collaboration mechanisms that contribute to its tendency to produce ideas with higher novelty, offering valuable insights to guide future research and illuminating pathways toward building a robust system for autonomous scientific discovery. The code is available at https://github.com/open-sciencelab/Virtual-Scientists.

Sijie Ji, Xinzhe Zheng, Jiawei Sun et al.

Mental health disorders are among the most prevalent diseases worldwide, affecting nearly one in four people. Despite their widespread impact, the intervention rate remains below 25%, largely due to the significant cooperation required from patients for both diagnosis and intervention. The core issue behind this low treatment rate is stigma, which discourages over half of those affected from seeking help. This paper presents MindGuard, an accessible, stigma-free, and professional mobile mental healthcare system designed to provide mental health first aid. The heart of MindGuard is an innovative edge LLM, equipped with professional mental health knowledge, that seamlessly integrates objective mobile sensor data with subjective Ecological Momentary Assessment records to deliver personalized screening and intervention conversations. We conduct a broad evaluation of MindGuard using open datasets spanning four years and real-world deployment across various mobile devices involving 20 subjects for two weeks. Remarkably, MindGuard achieves results comparable to GPT-4 and outperforms its counterpart with more than 10 times the model size. We believe that MindGuard paves the way for mobile LLM applications, potentially revolutionizing mental healthcare practices by substituting self-reporting and intervention conversations with passive, integrated monitoring within daily life, thus ensuring accessible and stigma-free mental health support.

Zishan Liu, Zecong Tang, RuoCheng Wu et al.

The automated generation of interactive 3D cities is a critical challenge with broad applications in autonomous driving, virtual reality, and embodied intelligence. While recent advances in generative models and procedural techniques have improved the realism of city generation, existing methods often struggle with high-fidelity asset creation, controllability, and manipulation. In this work, we introduce CityGenAgent, a natural language-driven framework for hierarchical procedural generation of high-quality 3D cities. Our approach decomposes city generation into two interpretable components, Block Program and Building Program. To ensure structural correctness and semantic alignment, we adopt a two-stage learning strategy: (1) Supervised Fine-Tuning (SFT). We train BlockGen and BuildingGen to generate valid programs that adhere to schema constraints, including non-self-intersecting polygons and complete fields; (2) Reinforcement Learning (RL). We design Spatial Alignment Reward to enhance spatial reasoning ability and Visual Consistency Reward to bridge the gap between textual descriptions and the visual modality. Benefiting from the programs and the models' generalization, CityGenAgent supports natural language editing and manipulation. Comprehensive evaluations demonstrate superior semantic alignment, visual quality, and controllability compared to existing methods, establishing a robust foundation for scalable 3D city generation.

Xinzhe Zheng, Hao Du, Fanding Xu et al.

Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on isolated pairwise evaluations, overlooking a model's capability to reconstruct biologically meaningful PPI networks, which is crucial for biology research. To address this gap, we introduce PRING, the first comprehensive benchmark that evaluates protein-protein interaction prediction from a graph-level perspective. PRING curates a high-quality, multi-species PPI network dataset comprising 21,484 proteins and 186,818 interactions, with well-designed strategies to address both data redundancy and leakage. Building on this golden-standard dataset, we establish two complementary evaluation paradigms: (1) topology-oriented tasks, which assess intra and cross-species PPI network construction, and (2) function-oriented tasks, including protein complex pathway prediction, GO module analysis, and essential protein justification. These evaluations not only reflect the model's capability to understand the network topology but also facilitate protein function annotation, biological module detection, and even disease mechanism analysis. Extensive experiments on four representative model categories, consisting of sequence similarity-based, naive sequence-based, protein language model-based, and structure-based approaches, demonstrate that current PPI models have potential limitations in recovering both structural and functional properties of PPI networks, highlighting the gap in supporting real-world biological applications. We believe PRING provides a reliable platform to guide the development of more effective PPI prediction models for the community. The dataset and source code of PRING are available at https://github.com/SophieSarceau/PRING.

Xinzhe Zheng, Sijie Ji, Yipeng Pan et al.

Inertial tracking is vital for robotic IoT and has gained popularity thanks to the ubiquity of low-cost inertial measurement units and deep learning-powered tracking algorithms. Existing works, however, have not fully utilized IMU measurements, particularly magnetometers, nor have they maximized the potential of deep learning to achieve the desired accuracy. To address these limitations, we introduce NeurIT, which elevates tracking accuracy to a new level. NeurIT employs a Time-Frequency Block-recurrent Transformer (TF-BRT) at its core, combining both RNN and Transformer to learn representative features in both time and frequency domains. To fully utilize IMU information, we strategically employ body-frame differentiation of magnetometers, considerably reducing the tracking error. We implement NeurIT on a customized robotic platform and conduct evaluation in various indoor environments. Experimental results demonstrate that NeurIT achieves a mere 1-meter tracking error over a 300-meter distance. Notably, it significantly outperforms state-of-the-art baselines by 48.21% on unseen data. Moreover, NeurIT demonstrates robustness in large urban complexes and performs comparably to the visual-inertial approach (Tango Phone) in vision-favored conditions while surpassing it in feature-sparse settings. We believe NeurIT takes an important step forward toward practical neural inertial tracking for ubiquitous and scalable tracking of robotic things. NeurIT is open-sourced here: https://github.com/aiot-lab/NeurIT.

Xinzhe Zheng, Zhen-Qun Yang, Haoran Xie et al.

Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of Natural Language Processing (NLP) tasks, but require substantial memory and computational resources. Binary quantization, which compresses model weights from 16-bit Brain Float to 1-bit representations in {-1, 1}, offers significant reductions in storage and inference costs. However, such aggressive quantization often leads to notable performance degradation compared to more conservative 4-bit quantization methods. In this research, we propose a novel optimization objective tailored for binary quantization, along with three algorithms designed to realize it effectively. Our method enhances blocked quantization by dynamically identifying optimal unstructured sub-matrices through adaptive grouping strategies. Experimental results demonstrate that our approach achieves an average bit length of just 1.007 bits, while maintaining high model quality. Specifically, our quantized LLaMA 3.2 3B model attains a perplexity of 8.23, remarkably close to the original 7.81, and surpasses previous SOTA BiLLM with a perplexity of only 123.90. Furthermore, our method is competitive with SOTA 4-bit approaches such as GPTQ in both performance and efficiency. The compression process is highly efficient, requiring only 14 seconds to quantize the full LLaMA 3.2 3B weights on a single CPU core, with the entire process completing in under 100 minutes and exhibiting embarrassingly parallel properties. Code - https://github.com/johnnyzheng0636/WGM_bi_quan

Sijie Ji, Xinzhe Zheng, Chenshu Wu

There is an ongoing debate regarding the potential of Large Language Models (LLMs) as foundational models seamlessly integrated with Cyber-Physical Systems (CPS) for interpreting the physical world. In this paper, we carry out a case study to answer the following question: Are LLMs capable of zero-shot human activity recognition (HAR). Our study, HARGPT, presents an affirmative answer by demonstrating that LLMs can comprehend raw IMU data and perform HAR tasks in a zero-shot manner, with only appropriate prompts. HARGPT inputs raw IMU data into LLMs and utilizes the role-play and think step-by-step strategies for prompting. We benchmark HARGPT on GPT4 using two public datasets of different inter-class similarities and compare various baselines both based on traditional machine learning and state-of-the-art deep classification models. Remarkably, LLMs successfully recognize human activities from raw IMU data and consistently outperform all the baselines on both datasets. Our findings indicate that by effective prompting, LLMs can interpret raw IMU data based on their knowledge base, possessing a promising potential to analyze raw sensor data of the physical world effectively.

Renqi Chen, Xinzhe Zheng, Haoyang Su et al.

Accurate segmentation of ultrasound images is essential for reliable medical diagnoses but is challenged by poor image quality and scarce labeled data. Prior approaches have relied on manually designed, complex network architectures to improve multi-scale feature extraction. However, such handcrafted models offer limited gains when prior knowledge is inadequate and are prone to overfitting on small datasets. In this paper, we introduce DeNAS-ViT, a data-efficient NAS-optimized Vision Transformer, the first method to leverage neural architecture search (NAS) for ultrasound image segmentation by automatically optimizing model architecture through token-level search. Specifically, we propose an efficient NAS module that performs multi-scale token search prior to the ViT's attention mechanism, effectively capturing both contextual and local features while minimizing computational costs. Given ultrasound's data scarcity and NAS's inherent data demands, we further develop a NAS-guided semi-supervised learning (SSL) framework. This approach integrates network independence and contrastive learning within a stage-wise optimization strategy, significantly enhancing model robustness under limited-data conditions. Extensive experiments on public datasets demonstrate that DeNAS-ViT achieves state-of-the-art performance, maintaining robustness with minimal labeled data. Moreover, we highlight DeNAS-ViT's generalization potential beyond ultrasound imaging, underscoring its broader applicability.

Xinzhe Zheng, Sijie Ji, Jiawei Sun et al.

Mental health risk is a critical global public health challenge, necessitating innovative and reliable assessment methods. With the development of large language models (LLMs), they stand out to be a promising tool for explainable mental health care applications. Nevertheless, existing approaches predominantly rely on subjective textual mental records, which can be distorted by inherent mental uncertainties, leading to inconsistent and unreliable predictions. To address these limitations, this paper introduces ProMind-LLM. We investigate an innovative approach integrating objective behavior data as complementary information alongside subjective mental records for robust mental health risk assessment. Specifically, ProMind-LLM incorporates a comprehensive pipeline that includes domain-specific pretraining to tailor the LLM for mental health contexts, a self-refine mechanism to optimize the processing of numerical behavioral data, and causal chain-of-thought reasoning to enhance the reliability and interpretability of its predictions. Evaluations of two real-world datasets, PMData and Globem, demonstrate the effectiveness of our proposed methods, achieving substantial improvements over general LLMs. We anticipate that ProMind-LLM will pave the way for more dependable, interpretable, and scalable mental health case solutions.

Xinzhe Zheng, Shiyu Jiang, Gustavo Seabra et al.

Deep generative models are rapidly advancing structure-based drug design, offering substantial promise for generating small molecule ligands that bind to specific protein targets. However, most current approaches assume a rigid protein binding pocket, neglecting the intrinsic flexibility of proteins and the conformational rearrangements induced by ligand binding, limiting their applicability in practical drug discovery. Here, we propose Apo2Mol, a diffusion-based generative framework for 3D molecule design that explicitly accounts for conformational flexibility in protein binding pockets. To support this, we curate a dataset of over 24,000 experimentally resolved apo-holo structure pairs from the Protein Data Bank, enabling the characterization of protein structure changes associated with ligand binding. Apo2Mol employs a full-atom hierarchical graph-based diffusion model that simultaneously generates 3D ligand molecules and their corresponding holo pocket conformations from input apo states. Empirical studies demonstrate that Apo2Mol can achieve state-of-the-art performance in generating high-affinity ligands and accurately capture realistic protein pocket conformational changes.

Xinzhe Zheng, Zhen-Qun Yang, Jiannong Cao et al.

Talent identification plays a critical role in promoting student development. However, traditional approaches often rely on manual processes or focus narrowly on academic achievement, and typically delaying intervention until the higher education stage. This oversight overlooks diverse non-academic talents and misses opportunities for early intervention. To address this gap, this study introduces TalentPredictor, a novel semi-supervised multi-modal neural network that combines Transformer, LSTM, and ANN architectures. This model is designed to predict seven different talent types--academic, sport, art, leadership, service, technology, and others--in secondary school students within an offline educational setting. Drawing on existing offline educational data from 1,041 local secondary students, TalentPredictor overcomes the limitations of traditional talent identification methods. By clustering various award records into talent categories and extracting features from students' diverse learning behaviors, it achieves high prediction accuracy (0.908 classification accuracy, 0.908 ROCAUC). This demonstrates the potential of machine learning to identify diverse talents early in student development.