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Causal inference and model interpretability are gaining increasing attention, particularly in the biomedical domain. Despite recent advance, decorrelating features in nonlinear environments with human-interpretable representations remains underexplored. In this study, we introduce a novel method called causal rule generation with target trial emulation framework (CRTRE), which applies randomize trial design principles to estimate the causal effect of association rules. We then incorporate such association rules for the downstream applications such as prediction of disease onsets. Extensive experiments on six healthcare datasets, including synthetic data, real-world disease collections, and MIMIC-III/IV, demonstrate the model's superior performance. Specifically, our method achieved a $\beta$ error of 0.907, outperforming DWR (1.024) and SVM (1.141). On real-world datasets, our model achieved accuracies of 0.789, 0.920, and 0.300 for Esophageal Cancer, Heart Disease, and Cauda Equina Syndrome prediction task, respectively, consistently surpassing baseline models. On the ICD code prediction tasks, it achieved AUC Macro scores of 92.8 on MIMIC-III and 96.7 on MIMIC-IV, outperforming the state-of-the-art models KEPT and MSMN. Expert evaluations further validate the model's effectiveness, causality, and interpretability.

We develop a first-order accelerated algorithm for a class of constrained bilinear saddle-point problems with applications to network systems. The algorithm is a modified time-varying primal-dual version of an accelerated mirror-descent dynamics. It deals with constraints such as simplices and convex set constraints effectively, and converges with a rate of $O(1/t^2)$. Furthermore, we employ the acceleration scheme to constrained distributed optimization and bilinear zero-sum games, and obtain two variants of distributed accelerated algorithms.

We consider seeking generalized Nash equilibria (GNE) for noncooperative games with coupled nonlinear constraints over networks. We first revisit a well-known gradientplay dynamics from a passivity-based perspective, and address that the strict monotonicity on pseudo-gradients is a critical assumption to ensure the exact convergence of the dynamics. Then we propose two novel passivity-based gradient-play dynamics by introducing parallel feedforward compensators (PFCs) and output feedback compensators (OFCs). We show that the proposed dynamics can reach exact GNEs in merely monotone regimes if the PFCs are strictly passive or the OFCs are output strictly passive. Following that, resorting to passivity, we develop a unifying framework to generalize the gradient-play dynamics, and moreover, design a class of explicit passive-based dynamics with convergence guarantees. In addition, we explore the relation between the proposed dynamics and some existing methods, and extend our results to partial-decision information settings.

Modern deep neural networks often require distributed training with many workers due to their large size. As the number of workers increases, communication overheads become the main bottleneck in data-parallel minibatch stochastic gradient methods with per-iteration gradient synchronization. Local gradient methods like Local SGD reduce communication by only synchronizing model parameters and/or gradients after several local steps. Despite an understanding of their convergence and the importance of batch sizes for training efficiency and generalization, optimal batch sizes for local gradient methods are difficult to determine. We introduce adaptive batch size strategies for local gradient methods that increase batch sizes adaptively to reduce minibatch gradient variance. We provide convergence guarantees under homogeneous data conditions and support our claims with image classification and language modeling experiments, demonstrating the effectiveness of our strategies for both training efficiency and generalization.

As cyber attacks grow increasingly sophisticated and stealthy, it becomes more imperative and challenging to detect intrusion from normal behaviors. Through fine-grained causality analysis, provenance-based intrusion detection systems (PIDS) demonstrated a promising capacity to distinguish benign and malicious behaviors, attracting widespread attention from both industry and academia. Among diverse approaches, rule-based PIDS stands out due to its lightweight overhead, real-time capabilities, and explainability. However, existing rule-based systems suffer low detection accuracy, especially the high false alarms, due to the lack of fine-grained rules and environment-specific configurations. In this paper, we propose CAPTAIN, a rule-based PIDS capable of automatically adapting to diverse environments. Specifically, we propose three adaptive parameters to adjust the detection configuration with respect to nodes, edges, and alarm generation thresholds. We build a differentiable tag propagation framework and utilize the gradient descent algorithm to optimize these adaptive parameters based on the training data. We evaluate our system using data from DARPA Engagements and simulated environments. The evaluation results demonstrate that CAPTAIN enhances rule-based PIDS with learning capabilities, resulting in improved detection accuracy, reduced detection latency, lower runtime overhead, and more interpretable detection procedures and results compared to the state-of-the-art (SOTA) PIDS., Comment: Accepted to NDSS 2025. Camera-ready version with supplementary materials

We introduce an Outlier-Efficient Modern Hopfield Model (termed $\mathrm{OutEffHop}$) and use it to address the outlier inefficiency problem of {training} gigantic transformer-based models. Our main contribution is a novel associative memory model facilitating \textit{outlier-efficient} associative memory retrievals. Interestingly, this memory model manifests a model-based interpretation of an outlier-efficient attention mechanism (${\rm Softmax}_1$): it is an approximation of the memory retrieval process of $\mathrm{OutEffHop}$. Methodologically, this allows us to introduce novel outlier-efficient Hopfield layers as powerful alternatives to traditional attention mechanisms, with superior post-quantization performance. Theoretically, the Outlier-Efficient Modern Hopfield Model retains and improves the desirable properties of standard modern Hopfield models, including fixed point convergence and exponential storage capacity. Empirically, we demonstrate the efficacy of the proposed model across large-scale transformer-based and Hopfield-based models (including BERT, OPT, ViT, and STanHop-Net), benchmarking against state-of-the-art methods like $\mathtt{Clipped\_Softmax}$ and $\mathtt{Gated\_Attention}$. Notably, $\mathrm{OutEffHop}$ achieves an average reduction of 22+\% in average kurtosis and 26+\% in the maximum infinity norm of model outputs across four models. Code is available at \href{https://github.com/MAGICS-LAB/OutEffHop}{GitHub}; models are on \href{https://huggingface.co/collections/magicslabnu/outeffhop-6610fcede8d2cda23009a98f}{Hugging Face Hub}; future updates are on \href{https://arxiv.org/abs/2404.03828}{arXiv}., Comment: Accepted at ICML 2024; v2 updated to camera-ready version; Code available at https://github.com/MAGICS-LAB/OutEffHop; Models are on Hugging Face: https://huggingface.co/collections/magicslabnu/outeffhop-6610fcede8d2cda23009a98f

We introduce the \textbf{B}i-Directional \textbf{S}parse \textbf{Hop}field Network (\textbf{BiSHop}), a novel end-to-end framework for deep tabular learning. BiSHop handles the two major challenges of deep tabular learning: non-rotationally invariant data structure and feature sparsity in tabular data. Our key motivation comes from the recent established connection between associative memory and attention mechanisms. Consequently, BiSHop uses a dual-component approach, sequentially processing data both column-wise and row-wise through two interconnected directional learning modules. Computationally, these modules house layers of generalized sparse modern Hopfield layers, a sparse extension of the modern Hopfield model with adaptable sparsity. Methodologically, BiSHop facilitates multi-scale representation learning, capturing both intra-feature and inter-feature interactions, with adaptive sparsity at each scale. Empirically, through experiments on diverse real-world datasets, we demonstrate that BiSHop surpasses current SOTA methods with significantly less HPO runs, marking it a robust solution for deep tabular learning., Comment: 31 pages; Code available at https://github.com/MAGICS-LAB/BiSHop

We present STanHop-Net (Sparse Tandem Hopfield Network) for multivariate time series prediction with memory-enhanced capabilities. At the heart of our approach is STanHop, a novel Hopfield-based neural network block, which sparsely learns and stores both temporal and cross-series representations in a data-dependent fashion. In essence, STanHop sequentially learn temporal representation and cross-series representation using two tandem sparse Hopfield layers. In addition, StanHop incorporates two additional external memory modules: a Plug-and-Play module and a Tune-and-Play module for train-less and task-aware memory-enhancements, respectively. They allow StanHop-Net to swiftly respond to certain sudden events. Methodologically, we construct the StanHop-Net by stacking STanHop blocks in a hierarchical fashion, enabling multi-resolution feature extraction with resolution-specific sparsity. Theoretically, we introduce a sparse extension of the modern Hopfield model (Generalized Sparse Modern Hopfield Model) and show that it endows a tighter memory retrieval error compared to the dense counterpart without sacrificing memory capacity. Empirically, we validate the efficacy of our framework on both synthetic and real-world settings.

We present a new formulation for structured information extraction (SIE) from visually rich documents. It aims to address the limitations of existing IOB tagging or graph-based formulations, which are either overly reliant on the correct ordering of input text or struggle with decoding a complex graph. Instead, motivated by anchor-based object detectors in vision, we represent an entity as an anchor word and a bounding box, and represent entity linking as the association between anchor words. This is more robust to text ordering, and maintains a compact graph for entity linking. The formulation motivates us to introduce 1) a DOCument TRansformer (DocTr) that aims at detecting and associating entity bounding boxes in visually rich documents, and 2) a simple pre-training strategy that helps learn entity detection in the context of language. Evaluations on three SIE benchmarks show the effectiveness of the proposed formulation, and the overall approach outperforms existing solutions.

Decoding the linguistic intricacies of the genome is a crucial problem in biology, and pre-trained foundational models such as DNABERT and Nucleotide Transformer have made significant strides in this area. Existing works have largely hinged on k-mer, fixed-length permutations of A, T, C, and G, as the token of the genome language due to its simplicity. However, we argue that the computation and sample inefficiencies introduced by k-mer tokenization are primary obstacles in developing large genome foundational models. We provide conceptual and empirical insights into genome tokenization, building on which we propose to replace k-mer tokenization with Byte Pair Encoding (BPE), a statistics-based data compression algorithm that constructs tokens by iteratively merging the most frequent co-occurring genome segment in the corpus. We demonstrate that BPE not only overcomes the limitations of k-mer tokenization but also benefits from the computational efficiency of non-overlapping tokenization. Based on these insights, we introduce DNABERT-2, a refined genome foundation model that adapts an efficient tokenizer and employs multiple strategies to overcome input length constraints, reduce time and memory expenditure, and enhance model capability. Furthermore, we identify the absence of a comprehensive and standardized benchmark for genome understanding as another significant impediment to fair comparative analysis. In response, we propose the Genome Understanding Evaluation (GUE), a comprehensive multi-species genome classification dataset that amalgamates $36$ distinct datasets across $9$ tasks, with input lengths ranging from $70$ to $10000$. Through comprehensive experiments on the GUE benchmark, we demonstrate that DNABERT-2 achieves comparable performance to the state-of-the-art model with $21 \times$ fewer parameters and approximately $92 \times$ less GPU time in pre-training., Comment: Accepted by ICLR 2024

We introduce the concept of programmable feature engineering for time series modeling and propose a feature programming framework. This framework generates large amounts of predictive features for noisy multivariate time series while allowing users to incorporate their inductive bias with minimal effort. The key motivation of our framework is to view any multivariate time series as a cumulative sum of fine-grained trajectory increments, with each increment governed by a novel spin-gas dynamical Ising model. This fine-grained perspective motivates the development of a parsimonious set of operators that summarize multivariate time series in an abstract fashion, serving as the foundation for large-scale automated feature engineering. Numerically, we validate the efficacy of our method on several synthetic and real-world noisy time series datasets., Comment: 21 pages, accepted to ICML2023. Code is available at https://github.com/SirAlex900/FeatureProgramming

Predicting attention regions of interest is an important yet challenging task for self-driving systems. Existing methodologies rely on large-scale labeled traffic datasets that are labor-intensive to obtain. Besides, the huge domain gap between natural scenes and traffic scenes in current datasets also limits the potential for model training. To address these challenges, we are the first to introduce an unsupervised way to predict self-driving attention by uncertainty modeling and driving knowledge integration. Our approach's Uncertainty Mining Branch (UMB) discovers commonalities and differences from multiple generated pseudo-labels achieved from models pre-trained on natural scenes by actively measuring the uncertainty. Meanwhile, our Knowledge Embedding Block (KEB) bridges the domain gap by incorporating driving knowledge to adaptively refine the generated pseudo-labels. Quantitative and qualitative results with equivalent or even more impressive performance compared to fully-supervised state-of-the-art approaches across all three public datasets demonstrate the effectiveness of the proposed method and the potential of this direction. The code will be made publicly available., Comment: ICCV 2023

The material science literature contains up-to-date and comprehensive scientific knowledge of materials. However, their content is unstructured and diverse, resulting in a significant gap in providing sufficient information for material design and synthesis. To this end, we used natural language processing (NLP) and computer vision (CV) techniques based on convolutional neural networks (CNN) to discover valuable experimental-based information about nanomaterials and synthesis methods in energy-material-related publications. Our first system, TextMaster, extracts opinions from texts and classifies them into challenges and opportunities, achieving 94% and 92% accuracy, respectively. Our second system, GraphMaster, realizes data extraction of tables and figures from publications with 98.3\% classification accuracy and 4.3% data extraction mean square error. Our results show that these systems could assess the suitability of materials for a certain application by evaluation of synthesis insights and case analysis with detailed references. This work offers a fresh perspective on mining knowledge from scientific literature, providing a wide swatch to accelerate nanomaterial research through CNN., Comment: Paper at NeurIPS 2022 AI for Science: Progress and Promises

Decentralized optimization is an emerging paradigm in distributed learning in which agents achieve network-wide solutions by peer-to-peer communication without the central server. Since communication tends to be slower than computation, when each agent communicates with only a few neighboring agents per iteration, they can complete iterations faster than with more agents or a central server. However, the total number of iterations to reach a network-wide solution is affected by the speed at which the agents' information is ``mixed'' by communication. We found that popular communication topologies either have large maximum degrees (such as stars and complete graphs) or are ineffective at mixing information (such as rings and grids). To address this problem, we propose a new family of topologies, EquiTopo, which has an (almost) constant degree and a network-size-independent consensus rate that is used to measure the mixing efficiency. In the proposed family, EquiStatic has a degree of $\Theta(\ln(n))$, where $n$ is the network size, and a series of time-dependent one-peer topologies, EquiDyn, has a constant degree of 1. We generate EquiDyn through a certain random sampling procedure. Both of them achieve an $n$-independent consensus rate. We apply them to decentralized SGD and decentralized gradient tracking and obtain faster communication and better convergence, theoretically and empirically. Our code is implemented through BlueFog and available at \url{https://github.com/kexinjinnn/EquiTopo}, Comment: NeurIPS 2022

Causal inference and model interpretability research are gaining increasing attention, especially in the domains of healthcare and bioinformatics. Despite recent successes in this field, decorrelating features under nonlinear environments with human interpretable representations has not been adequately investigated. To address this issue, we introduce a novel method with a variable decorrelation regularizer to handle both linear and nonlinear confounding. Moreover, we employ association rules as new representations using association rule mining based on the original features to further proximate human decision patterns to increase model interpretability. Extensive experiments are conducted on four healthcare datasets (one synthetically generated and three real-world collections on different diseases). Quantitative results in comparison to baseline approaches on parameter estimation and causality computation indicate the model's superior performance. Furthermore, expert evaluation given by healthcare professionals validates the effectiveness and interpretability of the proposed model.

Medication for neurological diseases such as the Parkinson's disease usually happens remotely away from hospitals. Such out-of-lab environments pose challenges in collecting timely and accurate health status data. Individual differences in behavioral signals collected from wearable sensors also lead to difficulties in adopting current general machine learning analysis pipelines. To address these challenges, we present a method for predicting the medication status of Parkinson's disease patients using the public mPower dataset, which contains 62,182 remote multi-modal test records collected on smartphones from 487 patients. The proposed method shows promising results in predicting three medication statuses objectively: Before Medication (AUC=0.95), After Medication (AUC=0.958), and Another Time (AUC=0.976) by examining patient-wise historical records with the attention weights learned through a Transformer model. Our method provides an innovative way for personalized remote health sensing in a timely and objective fashion which could benefit a broad range of similar applications., Comment: Accepted to ICDH-2023. Camera ready with supplementary material

Large-scale e-commerce sites can collect and analyze a large number of user preferences and behaviors, and thus can recommend highly trusted products to users. However, it is very difficult for individuals or non-corporate groups to obtain large-scale user data. Therefore, we consider whether knowledge of the decision-making domain can be used to obtain user preferences and combine it with content-based filtering to design an information retrieval system. This study describes the process of building a product information browsing support system with high satisfaction based on product similarity and multiple other perspectives about products on the Internet. We present the architecture of the proposed system and explain the working principle of its constituent modules. Finally, we demonstrate the effectiveness of the proposed system through an evaluation experiment and a questionnaire., Comment: 6 pages, 5 figures, IEEE/WIC/ACM International Conference on Web Intelligence (WI-IAT'21)

To solve distributed optimization efficiently with various constraints and nonsmooth functions, we propose a distributed mirror descent algorithm with embedded Bregman damping, as a generalization of conventional distributed projection-based algorithms. In fact, our continuous-time algorithm well inherits good capabilities of mirror descent approaches to rapidly compute explicit solutions to the problems with some specific constraint structures. Moreover, we rigorously prove the convergence of our algorithm, along with the boundedness of the trajectory and the accuracy of the solution.

Deep learning algorithms mine knowledge from the training data and thus would likely inherit the dataset's bias information. As a result, the obtained model would generalize poorly and even mislead the decision process in real-life applications. We propose to remove the bias information misused by the target task with a cross-sample adversarial debiasing (CSAD) method. CSAD explicitly extracts target and bias features disentangled from the latent representation generated by a feature extractor and then learns to discover and remove the correlation between the target and bias features. The correlation measurement plays a critical role in adversarial debiasing and is conducted by a cross-sample neural mutual information estimator. Moreover, we propose joint content and local structural representation learning to boost mutual information estimation for better performance. We conduct thorough experiments on publicly available datasets to validate the advantages of the proposed method over state-of-the-art approaches.