Yijun Tian

Lincan Li, Wei Shao, Wei Dong et al.

The aspiration of the next generation's autonomous driving (AD) technology relies on the dedicated integration and interaction among intelligent perception, prediction, planning, and low-level control. There has been a huge bottleneck regarding the upper bound of autonomous driving algorithm performance, a consensus from academia and industry believes that the key to surmount the bottleneck lies in data-centric autonomous driving technology. Recent advancement in AD simulation, closed-loop model training, and AD big data engine have gained some valuable experience. However, there is a lack of systematic knowledge and deep understanding regarding how to build efficient data-centric AD technology for AD algorithm self-evolution and better AD big data accumulation. To fill in the identified research gaps, this article will closely focus on reviewing the state-of-the-art data-driven autonomous driving technologies, with an emphasis on the comprehensive taxonomy of autonomous driving datasets characterized by milestone generations, key features, data acquisition settings, etc. Furthermore, we provide a systematic review of the existing benchmark closed-loop AD big data pipelines from the industrial frontier, including the procedure of closed-loop frameworks, key technologies, and empirical studies. Finally, the future directions, potential applications, limitations and concerns are discussed to arouse efforts from both academia and industry for promoting the further development of autonomous driving. The project repository is available at: https://github.com/LincanLi98/Awesome-Data-Centric-Autonomous-Driving.

Lirong Wu, Yijun Tian, Yufei Huang et al.

Protein-Protein Interactions (PPIs) are fundamental in various biological processes and play a key role in life activities. The growing demand and cost of experimental PPI assays require computational methods for efficient PPI prediction. While existing methods rely heavily on protein sequence for PPI prediction, it is the protein structure that is the key to determine the interactions. To take both protein modalities into account, we define the microenvironment of an amino acid residue by its sequence and structural contexts, which describe the surrounding chemical properties and geometric features. In addition, microenvironments defined in previous work are largely based on experimentally assayed physicochemical properties, for which the "vocabulary" is usually extremely small. This makes it difficult to cover the diversity and complexity of microenvironments. In this paper, we propose Microenvironment-Aware Protein Embedding for PPI prediction (MPAE-PPI), which encodes microenvironments into chemically meaningful discrete codes via a sufficiently large microenvironment "vocabulary" (i.e., codebook). Moreover, we propose a novel pre-training strategy, namely Masked Codebook Modeling (MCM), to capture the dependencies between different microenvironments by randomly masking the codebook and reconstructing the input. With the learned microenvironment codebook, we can reuse it as an off-the-shelf tool to efficiently and effectively encode proteins of different sizes and functions for large-scale PPI prediction. Extensive experiments show that MAPE-PPI can scale to PPI prediction with millions of PPIs with superior trade-offs between effectiveness and computational efficiency than the state-of-the-art competitors.

Lirong Wu, Yijun Tian, Haitao Lin et al.

Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is crucial. To tackle the scarcity of annotated mutation data, pre-training with massive unlabeled data has emerged as a promising solution. However, this process faces a series of challenges: (1) complex higher-order dependencies among multiple (more than paired) structural scales have not yet been fully captured; (2) it is rarely explored how mutations alter the local conformation of the surrounding microenvironment; (3) pre-training is costly, both in data size and computational burden. In this paper, we first construct a hierarchical prompt codebook to record common microenvironmental patterns at different structural scales independently. Then, we develop a novel codebook pre-training task, namely masked microenvironment modeling, to model the joint distribution of each mutation with their residue types, angular statistics, and local conformational changes in the microenvironment. With the constructed prompt codebook, we encode the microenvironment around each mutation into multiple hierarchical prompts and combine them to flexibly provide information to wild-type and mutated protein complexes about their microenvironmental differences. Such a hierarchical prompt learning framework has demonstrated superior performance and training efficiency over state-of-the-art pre-training-based methods in mutation effect prediction and a case study of optimizing human antibodies against SARS-CoV-2.

Chengyuan Deng, Yiqun Duan, Xin Jin et al.

Large Language Models (LLMs) have achieved unparalleled success across diverse language modeling tasks in recent years. However, this progress has also intensified ethical concerns, impacting the deployment of LLMs in everyday contexts. This paper provides a comprehensive survey of ethical challenges associated with LLMs, from longstanding issues such as copyright infringement, systematic bias, and data privacy, to emerging problems like truthfulness and social norms. We critically analyze existing research aimed at understanding, examining, and mitigating these ethical risks. Our survey underscores integrating ethical standards and societal values into the development of LLMs, thereby guiding the development of responsible and ethically aligned language models.