Siyuan Liu

Xiaoyang Chen, Jinjian Wu, Wenjiao Lyu et al.

Automatic segmentation of brain MR images into white matter (WM), gray matter (GM), and cerebrospinal fluid (CSF) is critical for tissue volumetric analysis and cortical surface reconstruction. Due to dramatic structural and appearance changes associated with developmental and aging processes, existing brain tissue segmentation methods are only viable for specific age groups. Consequently, methods developed for one age group may fail for another. In this paper, we make the first attempt to segment brain tissues across the entire human lifespan (0-100 years of age) using a unified deep learning model. To overcome the challenges related to structural variability underpinned by biological processes, intensity inhomogeneity, motion artifacts, scanner-induced differences, and acquisition protocols, we propose to use contrastive learning to improve the quality of feature representations in a latent space for effective lifespan tissue segmentation. We compared our approach with commonly used segmentation methods on a large-scale dataset of 2,464 MR images. Experimental results show that our model accurately segments brain tissues across the lifespan and outperforms existing methods.

Siyuan Liu, Tinghong Chen, Xinghan Li et al.

Data selection during supervised fine-tuning (SFT) can critically change the behavior of large language models (LLMs). Although existing work has studied the effect of selecting data based on heuristics such as perplexity, difficulty, or length, the reported findings are often inconsistent or context-dependent. In this work, we systematically study the role of data difficulty in fine-tuning from both empirical and theoretical perspectives, and find that there is no universally optimal difficulty level; rather, its effectiveness depends on the dataset size. We show that for a fixed data budget, there exists an optimal data difficulty for SFT, and that this optimal difficulty shifts toward harder data as the data budget increases. To explain this phenomenon, we conduct controlled synthetic experiments that reveal a simple underlying mechanism: the interplay between the (in-distribution) generalization gap and the extrapolation gap. We further support this mechanism through a theoretical analysis using PAC-Bayesian generalization bounds. Overall, our results clarify how data size and difficulty jointly affect the trade-off between generalization and extrapolation in SFT, providing guidance for difficulty-based data selection under certain model and data conditions.

Veera Raghava Reddy Kovvuri, Siyuan Liu, Monika Seisenberger et al.

Feature attribution XAI algorithms enable their users to gain insight into the underlying patterns of large datasets through their feature importance calculation. Existing feature attribution algorithms treat all features in a dataset homogeneously, which may lead to misinterpretation of consequences of changing feature values. In this work, we consider partitioning features into controllable and uncontrollable parts and propose the Controllable fActor Feature Attribution (CAFA) approach to compute the relative importance of controllable features. We carried out experiments applying CAFA to two existing datasets and our own COVID-19 non-pharmaceutical control measures dataset. Experimental results show that with CAFA, we are able to exclude influences from uncontrollable features in our explanation while keeping the full dataset for prediction.

Xiaoyan Liu, Zehui Dong, Zhiwei Xu et al.

Advanced researches on connected vehicles have recently targeted to the integration of vehicle-to-everything (V2X) networks with Machine Learning (ML) tools and distributed decision making. Federated learning (FL) is emerging as a new paradigm to train machine learning (ML) models in distributed systems, including vehicles in V2X networks. Rather than sharing and uploading the training data to the server, the updating of model parameters (e.g., neural networks' weights and biases) is applied by large populations of interconnected vehicles, acting as local learners. Despite these benefits, the limitation of existing approaches is the centralized optimization which relies on a server for aggregation and fusion of local parameters, leading to the drawback of a single point of failure and scaling issues for increasing V2X network size. Meanwhile, in intelligent transport scenarios, data collected from onboard sensors are redundant, which degrades the performance of aggregation. To tackle these problems, we explore a novel idea of decentralized data processing and introduce a federated learning framework for in-network vehicles, C-DFL(Consensus based Decentralized Federated Learning), to tackle federated learning on connected vehicles and improve learning quality. Extensive simulations have been implemented to evaluate the performance of C-DFL, that demonstrates C-DFL outperforms the performance of conventional methods in all cases.

Jingbo Zhou, Qi Guo, H. V. Jagadish et al.

We propose a novel generic inverted index framework on the GPU (called GENIE), aiming to reduce the programming complexity of the GPU for parallel similarity search of different data types. Not every data type and similarity measure are supported by GENIE, but many popular ones are. We present the system design of GENIE, and demonstrate similarity search with GENIE on several data types along with a theoretical analysis of search results. A new concept of locality sensitive hashing (LSH) named $τ$-ANN search, and a novel data structure c-PQ on the GPU are also proposed for achieving this purpose. Extensive experiments on different real-life datasets demonstrate the efficiency and effectiveness of our framework. The implemented system has been released as open source.

Woon Yee Ng, Li Rong Wang, Siyuan Liu et al.

Explaining machine learning (ML) predictions has become crucial as ML models are increasingly deployed in high-stakes domains such as healthcare. While SHapley Additive exPlanations (SHAP) is widely used for model interpretability, it fails to differentiate between causality and correlation, often misattributing feature importance when features are highly correlated. We propose Causal SHAP, a novel framework that integrates causal relationships into feature attribution while preserving many desirable properties of SHAP. By combining the Peter-Clark (PC) algorithm for causal discovery and the Intervention Calculus when the DAG is Absent (IDA) algorithm for causal strength quantification, our approach addresses the weakness of SHAP. Specifically, Causal SHAP reduces attribution scores for features that are merely correlated with the target, as validated through experiments on both synthetic and real-world datasets. This study contributes to the field of Explainable AI (XAI) by providing a practical framework for causal-aware model explanations. Our approach is particularly valuable in domains such as healthcare, where understanding true causal relationships is critical for informed decision-making.

Siyuan Liu, Wenjing Liu, Zhiwei Xu et al.

Empowered by large language models (LLMs), intelligent agents have become a popular paradigm for interacting with open environments to facilitate AI deployment. However, hallucinations generated by LLMs-where outputs are inconsistent with facts-pose a significant challenge, undermining the credibility of intelligent agents. Only if hallucinations can be mitigated, the intelligent agents can be used in real-world without any catastrophic risk. Therefore, effective detection and mitigation of hallucinations are crucial to ensure the dependability of agents. Unfortunately, the related approaches either depend on white-box access to LLMs or fail to accurately identify hallucinations. To address the challenge posed by hallucinations of intelligent agents, we present HalMit, a novel black-box watchdog framework that models the generalization bound of LLM-empowered agents and thus detect hallucinations without requiring internal knowledge of the LLM's architecture. Specifically, a probabilistic fractal sampling technique is proposed to generate a sufficient number of queries to trigger the incredible responses in parallel, efficiently identifying the generalization bound of the target agent. Experimental evaluations demonstrate that HalMit significantly outperforms existing approaches in hallucination monitoring. Its black-box nature and superior performance make HalMit a promising solution for enhancing the dependability of LLM-powered systems.

Luyuan Xie, Manqing Lin, Siyuan Liu et al.

In medical image segmentation, personalized cross-silo federated learning (FL) is becoming popular for utilizing varied data across healthcare settings to overcome data scarcity and privacy concerns. However, existing methods often suffer from client drift, leading to inconsistent performance and delayed training. We propose a new framework, Personalized Federated Learning via Feature Enhancement (pFLFE), designed to mitigate these challenges. pFLFE consists of two main stages: feature enhancement and supervised learning. The first stage improves differentiation between foreground and background features, and the second uses these enhanced features for learning from segmentation masks. We also design an alternative training approach that requires fewer communication rounds without compromising segmentation quality, even with limited communication resources. Through experiments on three medical segmentation tasks, we demonstrate that pFLFE outperforms the state-of-the-art methods.

He Zhang, Chang Liu, Zun Wang et al.

Predicting the mean-field Hamiltonian matrix in density functional theory is a fundamental formulation to leverage machine learning for solving molecular science problems. Yet, its applicability is limited by insufficient labeled data for training. In this work, we highlight that Hamiltonian prediction possesses a self-consistency principle, based on which we propose self-consistency training, an exact training method that does not require labeled data. It distinguishes the task from predicting other molecular properties by the following benefits: (1) it enables the model to be trained on a large amount of unlabeled data, hence addresses the data scarcity challenge and enhances generalization; (2) it is more efficient than running DFT to generate labels for supervised training, since it amortizes DFT calculation over a set of queries. We empirically demonstrate the better generalization in data-scarce and out-of-distribution scenarios, and the better efficiency over DFT labeling. These benefits push forward the applicability of Hamiltonian prediction to an ever-larger scale.

Xiaoyang Chen, Junjie Zhao, Siyuan Liu et al.

Cortical surface reconstruction (CSR) from MRI is key to investigating brain structure and function. While recent deep learning approaches have significantly improved the speed of CSR, a substantial amount of runtime is still needed to map the cortex to a topologically-correct spherical manifold to facilitate downstream geometric analyses. Moreover, this mapping is possible only if the topology of the surface mesh is homotopic to a sphere. Here, we present a method for simultaneous CSR and spherical mapping efficiently within seconds. Our approach seamlessly connects two sub-networks for white and pial surface generation. Residual diffeomorphic deformations are learned iteratively to gradually warp a spherical template mesh to the white and pial surfaces while preserving mesh topology and uniformity. The one-to-one vertex correspondence between the template sphere and the cortical surfaces allows easy and direct mapping of geometric features like convexity and curvature to the sphere for visualization and downstream processing. We demonstrate the efficacy of our approach on infant brain MRI, which poses significant challenges to CSR due to tissue contrast changes associated with rapid brain development during the first postnatal year. Performance evaluation based on a dataset of infants from 0 to 12 months demonstrates that our method substantially enhances mesh regularity and reduces geometric errors, outperforming state-of-the-art deep learning approaches, all while maintaining high computational efficiency.

Siyuan Liu, Pew-Thian Yap

Harmonization improves data consistency and is central to effective integration of diverse imaging data acquired across multiple sites. Recent deep learning techniques for harmonization are predominantly supervised in nature and hence require imaging data of the same human subjects to be acquired at multiple sites. Data collection as such requires the human subjects to travel across sites and is hence challenging, costly, and impractical, more so when sufficient sample size is needed for reliable network training. Here we show how harmonization can be achieved with a deep neural network that does not rely on traveling human phantom data. Our method disentangles site-specific appearance information and site-invariant anatomical information from images acquired at multiple sites and then employs the disentangled information to generate the image of each subject for any target site. We demonstrate with more than 6,000 multi-site T1- and T2-weighted images that our method is remarkably effective in generating images with realistic site-specific appearances without altering anatomical details. Our method allows retrospective harmonization of data in a wide range of existing modern large-scale imaging studies, conducted via different scanners and protocols, without additional data collection.

Orcun Yalcin, Xiuyi Fan, Siyuan Liu

Explainable AI has attracted much research attention in recent years with feature attribution algorithms, which compute "feature importance" in predictions, becoming increasingly popular. However, there is little analysis of the validity of these algorithms as there is no "ground truth" in the existing datasets to validate their correctness. In this work, we develop a method to quantitatively evaluate the correctness of XAI algorithms by creating datasets with known explanation ground truth. To this end, we focus on the binary classification problems. String datasets are constructed using formal language derived from a grammar. A string is positive if and only if a certain property is fulfilled. Symbols serving as explanation ground truth in a positive string are part of an explanation if and only if they contributes to fulfilling the property. Two popular feature attribution explainers, Local Interpretable Model-agnostic Explanations (LIME) and SHapley Additive exPlanations (SHAP), are used in our experiments.We show that: (1) classification accuracy is positively correlated with explanation accuracy; (2) SHAP provides more accurate explanations than LIME; (3) explanation accuracy is negatively correlated with dataset complexity.

Xiuyi Fan, Siyuan Liu, Jiarong Chen et al.

Since COVID-19 was first identified in December 2019, various public health interventions have been implemented across the world. As different measures are implemented at different countries at different times, we conduct an assessment of the relative effectiveness of the measures implemented in 18 countries and regions using data from 22/01/2020 to 02/04/2020. We compute the top one and two measures that are most effective for the countries and regions studied during the period. Two Explainable AI techniques, SHAP and ECPI, are used in our study; such that we construct (machine learning) models for predicting the instantaneous reproduction number ($R_t$) and use the models as surrogates to the real world and inputs that the greatest influence to our models are seen as measures that are most effective. Across-the-board, city lockdown and contact tracing are the two most effective measures. For ensuring $R_t<1$, public wearing face masks is also important. Mass testing alone is not the most effective measure although when paired with other measures, it can be effective. Warm temperature helps for reducing the transmission.

Ke-Wei Huang, Mengke Qiao, Xuanqi Liu et al.

This paper proposes a new deep-learning method to construct test statistics by computer vision and metrics learning. The application highlighted in this paper is applying computer vision on Q-Q plot to construct a new test statistic for normality test. To the best of our knowledge, there is no similar application documented in the literature. Traditionally, there are two families of approaches for verifying the probability distribution of a random variable. Researchers either subjectively assess the Q-Q plot or objectively use a mathematical formula, such as Kolmogorov-Smirnov test, to formally conduct a normality test. Graphical assessment by human beings is not rigorous whereas normality test statistics may not be accurate enough when the uniformly most powerful test does not exist. It may take tens of years for statistician to develop a new test statistic that is more powerful statistically. Our proposed method integrates four components based on deep learning: an image representation learning component of a Q-Q plot, a dimension reduction component, a metrics learning component that best quantifies the differences between two Q-Q plots for normality test, and a new normality hypothesis testing process. Our experimentation results show that the machine-learning-based test statistics can outperform several widely-used traditional normality tests. This study provides convincing evidence that the proposed method could objectively create a powerful test statistic based on Q-Q plots and this method could be modified to construct many more powerful test statistics for other applications in the future.

Yuan Yuan, Siyuan Liu, Jiawei Zhang et al.

We consider the single image super-resolution problem in a more general case that the low-/high-resolution pairs and the down-sampling process are unavailable. Different from traditional super-resolution formulation, the low-resolution input is further degraded by noises and blurring. This complicated setting makes supervised learning and accurate kernel estimation impossible. To solve this problem, we resort to unsupervised learning without paired data, inspired by the recent successful image-to-image translation applications. With generative adversarial networks (GAN) as the basic component, we propose a Cycle-in-Cycle network structure to tackle the problem within three steps. First, the noisy and blurry input is mapped to a noise-free low-resolution space. Then the intermediate image is up-sampled with a pre-trained deep model. Finally, we fine-tune the two modules in an end-to-end manner to get the high-resolution output. Experiments on NTIRE2018 datasets demonstrate that the proposed unsupervised method achieves comparable results as the state-of-the-art supervised models.