Wang, Zhenyu
Large Language Models in Bioinformatics: A Survey
Wang, Zhenyu, Wang, Zikang, Jiang, Jiyue, Chen, Pengan, Shi, Xiangyu, Li, Yu
Large Language Models (LLMs) are revolutionizing bioinformatics, enabling advanced analysis of DNA, RNA, proteins, and single-cell data. This survey provides a systematic review of recent advancements, focusing on genomic sequence modeling, RNA structure prediction, protein function inference, and single-cell transcriptomics. Meanwhile, we also discuss several key challenges, including data scarcity, computational complexity, and cross-omics integration, and explore future directions such as multimodal learning, hybrid AI models, and clinical applications. By offering a comprehensive perspective, this paper underscores the transformative potential of LLMs in driving innovations in bioinformatics and precision medicine.
LogitLens4LLMs: Extending Logit Lens Analysis to Modern Large Language Models
Wang, Zhenyu
This paper introduces LogitLens4LLMs, a toolkit that extends the Logit Lens technique to modern large language models. While Logit Lens has been a crucial method for understanding internal representations of language models, it was previously limited to earlier model architectures. Our work overcomes the limitations of existing implementations, enabling the technique to be applied to state-of-the-art architectures (such as Qwen-2.5 and Llama-3.1) while automating key analytical workflows. By developing component-specific hooks to capture both attention mechanisms and MLP outputs, our implementation achieves full compatibility with the HuggingFace transformer library while maintaining low inference overhead. The toolkit provides both interactive exploration and batch processing capabilities, supporting large-scale layer-wise analyses. Through open-sourcing our implementation, we aim to facilitate deeper investigations into the internal mechanisms of large-scale language models. The toolkit is openly available at https://github.com/zhenyu-02/LogitLens4LLMs.
RoboMIND: Benchmark on Multi-embodiment Intelligence Normative Data for Robot Manipulation
Wu, Kun, Hou, Chengkai, Liu, Jiaming, Che, Zhengping, Ju, Xiaozhu, Yang, Zhuqin, Li, Meng, Zhao, Yinuo, Xu, Zhiyuan, Yang, Guang, Zhao, Zhen, Li, Guangyu, Jin, Zhao, Wang, Lecheng, Mao, Jilei, Wang, Xinhua, Fan, Shichao, Liu, Ning, Ren, Pei, Zhang, Qiang, Lyu, Yaoxu, Liu, Mengzhen, He, Jingyang, Luo, Yulin, Gao, Zeyu, Li, Chenxuan, Gu, Chenyang, Fu, Yankai, Wu, Di, Wang, Xingyu, Chen, Sixiang, Wang, Zhenyu, An, Pengju, Qian, Siyuan, Zhang, Shanghang, Tang, Jian
Developing robust and general-purpose robotic manipulation policies is a key goal in the field of robotics. To achieve effective generalization, it is essential to construct comprehensive datasets that encompass a large number of demonstration trajectories and diverse tasks. Unlike vision or language data that can be collected from the Internet, robotic datasets require detailed observations and manipulation actions, necessitating significant investment in hardware-software infrastructure and human labor. While existing works have focused on assembling various individual robot datasets, there remains a lack of a unified data collection standard and insufficient diversity in tasks, scenarios, and robot types. In this paper, we introduce RoboMIND (Multi-embodiment Intelligence Normative Data for Robot manipulation), featuring 55k real-world demonstration trajectories across 279 diverse tasks involving 61 different object classes. RoboMIND is collected through human teleoperation and encompasses comprehensive robotic-related information, including multi-view RGB-D images, proprioceptive robot state information, end effector details, and linguistic task descriptions. To ensure dataset consistency and reliability during policy learning, RoboMIND is built on a unified data collection platform and standardized protocol, covering four distinct robotic embodiments. We provide a thorough quantitative and qualitative analysis of RoboMIND across multiple dimensions, offering detailed insights into the diversity of our datasets. In our experiments, we conduct extensive real-world testing with four state-of-the-art imitation learning methods, demonstrating that training with RoboMIND data results in a high manipulation success rate and strong generalization. Our project is at https://x-humanoid-robomind.github.io/.
Causal Invariance Learning via Efficient Optimization of a Nonconvex Objective
Wang, Zhenyu, Hu, Yifan, Bรผhlmann, Peter, Guo, Zijian
Data from multiple environments offer valuable opportunities to uncover causal relationships among variables. Leveraging the assumption that the causal outcome model remains invariant across heterogeneous environments, state-of-the-art methods attempt to identify causal outcome models by learning invariant prediction models and rely on exhaustive searches over all (exponentially many) covariate subsets. These approaches present two major challenges: 1) determining the conditions under which the invariant prediction model aligns with the causal outcome model, and 2) devising computationally efficient causal discovery algorithms that scale polynomially, instead of exponentially, with the number of covariates. To address both challenges, we focus on the additive intervention regime and propose nearly necessary and sufficient conditions for ensuring that the invariant prediction model matches the causal outcome model. Exploiting the essentially necessary identifiability conditions, we introduce Negative Weight Distributionally Robust Optimization (NegDRO), a nonconvex continuous minimax optimization whose global optimizer recovers the causal outcome model. Unlike standard group DRO problems that maximize over the simplex, NegDRO allows negative weights on environment losses, which break the convexity. Despite its nonconvexity, we demonstrate that a standard gradient method converges to the causal outcome model, and we establish the convergence rate with respect to the sample size and the number of iterations. Our algorithm avoids exhaustive search, making it scalable especially when the number of covariates is large. The numerical results further validate the efficiency of the proposed method.
pLDDT-Predictor: High-speed Protein Screening Using Transformer and ESM2
Chae, Joongwon, Wang, Zhenyu, Gul, Ijaz, Ji, Jiansong, Chen, Zhenglin, Qin, Peiwu
Recent advancements in protein structure prediction, particularly AlphaFold2, have revolutionized structural biology by achieving near-experimental accuracy ($\text{average RMSD} < 1.5\text{\AA}$). However, the computational demands of these models (approximately 30 minutes per protein on an RTX 4090) significantly limit their application in high-throughput protein screening. While large language models like ESM (Evolutionary Scale Modeling) have shown promise in extracting structural information directly from protein sequences, rapid assessment of protein structure quality for large-scale analyses remains a major challenge. We introduce pLDDT-Predictor, a high-speed protein screening tool that achieves a $250,000\times$ speedup compared to AlphaFold2 by leveraging pre-trained ESM2 protein embeddings and a Transformer architecture. Our model predicts AlphaFold2's pLDDT (predicted Local Distance Difference Test) scores with a Pearson correlation of 0.7891 and processes proteins in just 0.007 seconds on average. Using a comprehensive dataset of 1.5 million diverse protein sequences (ranging from 50 to 2048 amino acids), we demonstrate that pLDDT-Predictor accurately classifies high-confidence structures (pLDDT $>$ 70) with 91.2\% accuracy and achieves an MSE of 84.8142 compared to AlphaFold2's predictions. The source code and pre-trained models are freely available at \url{https://github.com/jw-chae/pLDDT_Predictor}, enabling the research community to perform rapid, large-scale protein structure quality assessments.
Efficient Mixture-of-Expert for Video-based Driver State and Physiological Multi-task Estimation in Conditional Autonomous Driving
Wang, Jiyao, Yang, Xiao, Wang, Zhenyu, Wei, Ximeng, Wang, Ange, He, Dengbo, Wu, Kaishun
Road safety remains a critical challenge worldwide, with approximately 1.35 million fatalities annually attributed to traffic accidents, often due to human errors. As we advance towards higher levels of vehicle automation, challenges still exist, as driving with automation can cognitively over-demand drivers if they engage in non-driving-related tasks (NDRTs), or lead to drowsiness if driving was the sole task. This calls for the urgent need for an effective Driver Monitoring System (DMS) that can evaluate cognitive load and drowsiness in SAE Level-2/3 autonomous driving contexts. In this study, we propose a novel multi-task DMS, termed VDMoE, which leverages RGB video input to monitor driver states non-invasively. By utilizing key facial features to minimize computational load and integrating remote Photoplethysmography (rPPG) for physiological insights, our approach enhances detection accuracy while maintaining efficiency. Additionally, we optimize the Mixture-of-Experts (MoE) framework to accommodate multi-modal inputs and improve performance across different tasks. A novel prior-inclusive regularization method is introduced to align model outputs with statistical priors, thus accelerating convergence and mitigating overfitting risks. We validate our method with the creation of a new dataset (MCDD), which comprises RGB video and physiological indicators from 42 participants, and two public datasets. Our findings demonstrate the effectiveness of VDMoE in monitoring driver states, contributing to safer autonomous driving systems. The code and data will be released.
PortLLM: Personalizing Evolving Large Language Models with Training-Free and Portable Model Patches
Khan, Rana Muhammad Shahroz, Li, Pingzhi, Yun, Sukwon, Wang, Zhenyu, Nirjon, Shahriar, Wong, Chau-Wai, Chen, Tianlong
As large language models (LLMs) increasingly shape the AI landscape, fine-tuning pretrained models has become more popular than in the pre-LLM era for achieving optimal performance in domain-specific tasks. However, pretrained LLMs such as ChatGPT are periodically evolved, i.e., model parameters are frequently updated), making it challenging for downstream users with limited resources to keep up with fine-tuning the newest LLMs for their domain application. Even though fine-tuning costs have nowadays been reduced thanks to the innovations of parameter-efficient fine-tuning such as LoRA, not all downstream users have adequate computing for frequent personalization. Moreover, access to fine-tuning datasets, particularly in sensitive domains such as healthcare, could be time-restrictive, making it crucial to retain the knowledge encoded in earlier fine-tuned rounds for future adaptation. In this paper, we present PortLLM, a training-free framework that (i) creates an initial lightweight model update patch to capture domain-specific knowledge, and (ii) allows a subsequent seamless plugging for the continual personalization of evolved LLM at minimal cost. Our extensive experiments cover seven representative datasets, from easier question-answering tasks {BoolQ, SST2} to harder reasoning tasks {WinoGrande, GSM8K}, and models including {Mistral-7B, Llama2, Llama3.1, and Gemma2}, validating the portability of our designed model patches and showcasing the effectiveness of our proposed framework. For instance, PortLLM achieves comparable performance to LoRA fine-tuning with reductions of up to 12.2x in GPU memory usage. Finally, we provide theoretical justifications to understand the portability of our model update patches, which offers new insights into the theoretical dimension of LLMs' personalization.
Intelligent Computing Social Modeling and Methodological Innovations in Political Science in the Era of Large Language Models
Wang, Zhenyu, Xu, Yi, Wang, Dequan, Zhou, Lingfeng, Zhou, Yiqi
The recent wave of artificial intelligence, epitomized by large language models (LLMs), has presented opportunities and challenges for methodological innovation in political science, sparking discussions on a potential paradigm shift in the social sciences. However, how can we understand the impact of LLMs on knowledge production and paradigm transformation in the social sciences from a comprehensive perspective that integrates technology and methodology? What are LLMs' specific applications and representative innovative methods in political science research? These questions, particularly from a practical methodological standpoint, remain underexplored. This paper proposes the "Intelligent Computing Social Modeling" (ICSM) method to address these issues by clarifying the critical mechanisms of LLMs. ICSM leverages the strengths of LLMs in idea synthesis and action simulation, advancing intellectual exploration in political science through "simulated social construction" and "simulation validation." By simulating the U.S. presidential election, this study empirically demonstrates the operational pathways and methodological advantages of ICSM. By integrating traditional social science paradigms, ICSM not only enhances the quantitative paradigm's capability to apply big data to assess the impact of factors but also provides qualitative paradigms with evidence for social mechanism discovery at the individual level, offering a powerful tool that balances interpretability and predictability in social science research. The findings suggest that LLMs will drive methodological innovation in political science through integration and improvement rather than direct substitution.
Characterizing Disparity Between Edge Models and High-Accuracy Base Models for Vision Tasks
Wang, Zhenyu, Nirjon, Shahriar
Edge devices, with their widely varying capabilities, support a diverse range of edge AI models. This raises the question: how does an edge model differ from a high-accuracy (base) model for the same task? We introduce XDELTA, a novel explainable AI tool that explains differences between a high-accuracy base model and a computationally efficient but lower-accuracy edge model. To achieve this, we propose a learning-based approach to characterize the model difference, named the DELTA network, which complements the feature representation capability of the edge network in a compact form. To construct DELTA, we propose a sparsity optimization framework that extracts the essence of the base model to ensure compactness and sufficient feature representation capability of DELTA, and implement a negative correlation learning approach to ensure it complements the edge model. We conduct a comprehensive evaluation to test XDELTA's ability to explain model discrepancies, using over 1.2 million images and 24 models, and assessing real-world deployments with six participants. XDELTA excels in explaining differences between base and edge models (arbitrary pairs as well as compressed base models) through geometric and concept-level analysis, proving effective in real-world applications.
Multi-AUV Cooperative Underwater Multi-Target Tracking Based on Dynamic-Switching-enabled Multi-Agent Reinforcement Learning
Wang, Shengbo, Lin, Chuan, Han, Guangjie, Zhu, Shengchao, Li, Zhixian, Wang, Zhenyu
With the rapid development of underwater communication, sensing, automation, robot technologies, autonomous underwater vehicle (AUV) swarms are gradually becoming popular and have been widely promoted in ocean exploration and underwater tracking or surveillance, etc. However, the complex underwater environment poses significant challenges for AUV swarm-based accurate tracking for the underwater moving targets. In this paper, we aim at proposing a multi-AUV cooperative underwater multi-target tracking algorithm especially when the real underwater factors are taken into account.We first give normally modelling approach for the underwater sonar-based detection and the ocean current interference on the target tracking process.Then, we regard the AUV swarm as a underwater ad-hoc network and propose a novel Multi-Agent Reinforcement Learning (MARL) architecture towards the AUV swarm based on Software-Defined Networking (SDN).It enhances the flexibility and scalability of the AUV swarm through centralized management and distributed operations.Based on the proposed MARL architecture, we propose the "dynamic-attention switching" and "dynamic-resampling switching" mechanisms, to enhance the efficiency and accuracy of AUV swarm cooperation during task execution.Finally, based on a proposed AUV classification method, we propose an efficient cooperative tracking algorithm called ASMA.Evaluation results demonstrate that our proposed tracking algorithm can perform precise underwater multi-target tracking, comparing with many of recent research products in terms of convergence speed and tracking accuracy.