Zhu, Jiajun
Targetless Intrinsics and Extrinsic Calibration of Multiple LiDARs and Cameras with IMU using Continuous-Time Estimation
Lv, Yuezhang, Zhang, Yunzhou, Lu, Chao, Zhu, Jiajun, Wu, Song
Accurate spatiotemporal calibration is a prerequisite for multisensor fusion. However, sensors are typically asynchronous, and there is no overlap between the fields of view of cameras and LiDARs, posing challenges for intrinsic and extrinsic parameter calibration. To address this, we propose a calibration pipeline based on continuous-time and bundle adjustment (BA) capable of simultaneous intrinsic and extrinsic calibration (6 DOF transformation and time offset). We do not require overlapping fields of view or any calibration board. Firstly, we establish data associations between cameras using Structure from Motion (SFM) and perform self-calibration of camera intrinsics. Then, we establish data associations between LiDARs through adaptive voxel map construction, optimizing for extrinsic calibration within the map. Finally, by matching features between the intensity projection of LiDAR maps and camera images, we conduct joint optimization for intrinsic and extrinsic parameters. This pipeline functions in texture-rich structured environments, allowing simultaneous calibration of any number of cameras and LiDARs without the need for intricate sensor synchronization triggers. Experimental results demonstrate our method's ability to fulfill co-visibility and motion constraints between sensors without accumulating errors.
Understanding and Mitigating Bottlenecks of State Space Models through the Lens of Recency and Over-smoothing
Wang, Peihao, Cai, Ruisi, Wang, Yuehao, Zhu, Jiajun, Srivastava, Pragya, Wang, Zhangyang, Li, Pan
Structured State Space Models (SSMs) have emerged as alternatives to transformers. While SSMs are often regarded as effective in capturing long-sequence dependencies, we rigorously demonstrate that they are inherently limited by strong recency bias. Our empirical studies also reveal that this bias impairs the models' ability to recall distant information and introduces robustness issues. Our scaling experiments then discovered that deeper structures in SSMs can facilitate the learning of long contexts. However, subsequent theoretical analysis reveals that as SSMs increase in depth, they exhibit another inevitable tendency toward over-smoothing, e.g., token representations becoming increasingly indistinguishable. This fundamental dilemma between recency and over-smoothing hinders the scalability of existing SSMs. Inspired by our theoretical findings, we propose to polarize two channels of the state transition matrices in SSMs, setting them to zero and one, respectively, simultaneously addressing recency bias and over-smoothing. Experiments demonstrate that our polarization technique consistently enhances the associative recall accuracy of long-range tokens and unlocks SSMs to benefit further from deeper architectures. All source codes are released at https://github.com/VITA-Group/SSM-Bottleneck.
Rethinking Addressing in Language Models via Contexualized Equivariant Positional Encoding
Zhu, Jiajun, Wang, Peihao, Cai, Ruisi, Lee, Jason D., Li, Pan, Wang, Zhangyang
Transformers rely on both content-based and position-based addressing mechanisms to make predictions, but existing positional encoding techniques often diminish the effectiveness of position-based addressing. Many current methods enforce rigid patterns in attention maps, limiting the ability to model long-range dependencies and adapt to diverse tasks. Additionally, most positional encodings are learned as general biases, lacking the specialization required for different instances within a dataset. To address this, we propose con$\textbf{T}$extualized equivari$\textbf{A}$nt $\textbf{P}$osition $\textbf{E}$mbedding ($\textbf{TAPE}$), a novel framework that enhances positional embeddings by incorporating sequence content across layers. TAPE introduces dynamic, context-aware positional encodings, overcoming the constraints of traditional fixed patterns. By enforcing permutation and orthogonal equivariance, TAPE ensures the stability of positional encodings during updates, improving robustness and adaptability. Our method can be easily integrated into pre-trained transformers, offering parameter-efficient fine-tuning with minimal overhead. Extensive experiments shows that TAPE achieves superior performance in language modeling, arithmetic reasoning, and long-context retrieval tasks compared to existing positional embedding techniques.
Detect, Investigate, Judge and Determine: A Novel LLM-based Framework for Few-shot Fake News Detection
Liu, Ye, Zhu, Jiajun, Zhang, Kai, Tang, Haoyu, Zhang, Yanghai, Liu, Xukai, Liu, Qi, Chen, Enhong
Few-Shot Fake News Detection (FS-FND) aims to distinguish inaccurate news from real ones in extremely low-resource scenarios. This task has garnered increased attention due to the widespread dissemination and harmful impact of fake news on social media. Large Language Models (LLMs) have demonstrated competitive performance with the help of their rich prior knowledge and excellent in-context learning abilities. However, existing methods face significant limitations, such as the Understanding Ambiguity and Information Scarcity, which significantly undermine the potential of LLMs. To address these shortcomings, we propose a Dual-perspective Augmented Fake News Detection (DAFND) model, designed to enhance LLMs from both inside and outside perspectives. Specifically, DAFND first identifies the keywords of each news article through a Detection Module. Subsequently, DAFND creatively designs an Investigation Module to retrieve inside and outside valuable information concerning to the current news, followed by another Judge Module to derive its respective two prediction results. Finally, a Determination Module further integrates these two predictions and derives the final result. Extensive experiments on two publicly available datasets show the efficacy of our proposed method, particularly in low-resource settings.
Towards Understanding Sensitive and Decisive Patterns in Explainable AI: A Case Study of Model Interpretation in Geometric Deep Learning
Zhu, Jiajun, Miao, Siqi, Ying, Rex, Li, Pan
The interpretability of machine learning models has gained increasing attention, particularly in scientific domains where high precision and accountability are crucial. This research focuses on distinguishing between two critical data patterns -- sensitive patterns (model-related) and decisive patterns (task-related) -- which are commonly used as model interpretations but often lead to confusion. Specifically, this study compares the effectiveness of two main streams of interpretation methods: post-hoc methods and self-interpretable methods, in detecting these patterns. Recently, geometric deep learning (GDL) has shown superior predictive performance in various scientific applications, creating an urgent need for principled interpretation methods. Therefore, we conduct our study using several representative GDL applications as case studies. We evaluate thirteen interpretation methods applied to three major GDL backbone models, using four scientific datasets to assess how well these methods identify sensitive and decisive patterns. Our findings indicate that post-hoc methods tend to provide interpretations better aligned with sensitive patterns, whereas certain self-interpretable methods exhibit strong and stable performance in detecting decisive patterns. Additionally, our study offers valuable insights into improving the reliability of these interpretation methods. For example, ensembling post-hoc interpretations from multiple models trained on the same task can effectively uncover the task's decisive patterns.
Retrosynthesis Prediction via Search in (Hyper) Graph
Lan, Zixun, Hong, Binjie, Zhu, Jiajun, Zeng, Zuo, Liu, Zhenfu, Yu, Limin, Ma, Fei
Predicting reactants from a specified core product stands as a fundamental challenge within organic synthesis, termed retrosynthesis prediction. Recently, semi-template-based methods and graph-edits-based methods have achieved good performance in terms of both interpretability and accuracy. However, due to their mechanisms these methods cannot predict complex reactions, e.g., reactions with multiple reaction center or attaching the same leaving group to more than one atom. In this study we propose a semi-template-based method, the \textbf{Retro}synthesis via \textbf{S}earch \textbf{i}n (Hyper) \textbf{G}raph (RetroSiG) framework to alleviate these limitations. In the proposed method, we turn the reaction center identification and the leaving group completion tasks as tasks of searching in the product molecular graph and leaving group hypergraph respectively. As a semi-template-based method RetroSiG has several advantages. First, RetroSiG is able to handle the complex reactions mentioned above by its novel search mechanism. Second, RetroSiG naturally exploits the hypergraph to model the implicit dependencies between leaving groups. Third, RetroSiG makes full use of the prior, i.e., one-hop constraint. It reduces the search space and enhances overall performance. Comprehensive experiments demonstrated that RetroSiG achieved competitive results. Furthermore, we conducted experiments to show the capability of RetroSiG in predicting complex reactions. Ablation experiments verified the efficacy of specific elements, such as the one-hop constraint and the leaving group hypergraph.
Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns
Sun, Yifei, Zhu, Qi, Yang, Yang, Wang, Chunping, Fan, Tianyu, Zhu, Jiajun, Chen, Lei
Recently, the paradigm of pre-training and fine-tuning graph neural networks has been intensively studied and applied in a wide range of graph mining tasks. Its success is generally attributed to the structural consistency between pre-training and downstream datasets, which, however, does not hold in many real-world scenarios. Existing works have shown that the structural divergence between pre-training and downstream graphs significantly limits the transferability when using the vanilla fine-tuning strategy. This divergence leads to model overfitting on pre-training graphs and causes difficulties in capturing the structural properties of the downstream graphs. In this paper, we identify the fundamental cause of structural divergence as the discrepancy of generative patterns between the pre-training and downstream graphs. Furthermore, we propose G-Tuning to preserve the generative patterns of downstream graphs. Given a downstream graph G, the core idea is to tune the pre-trained GNN so that it can reconstruct the generative patterns of G, the graphon W. However, the exact reconstruction of a graphon is known to be computationally expensive. To overcome this challenge, we provide a theoretical analysis that establishes the existence of a set of alternative graphons called graphon bases for any given graphon. By utilizing a linear combination of these graphon bases, we can efficiently approximate W. This theoretical finding forms the basis of our proposed model, as it enables effective learning of the graphon bases and their associated coefficients. Compared with existing algorithms, G-Tuning demonstrates an average improvement of 0.5% and 2.6% on in-domain and out-of-domain transfer learning experiments, respectively.