DeepNLP/ICML-2024-Accepted-Papers huggingface dataset:
Contrastive Learning for Clinical Outcome Prediction with Partial Data Sources
Authors: Meng Xia, Jonathan Wilson, Benjamin Goldstein, Ricardo Henao

The use of machine learning models to predict clinical outcomes from (longitudinal) electronic health record (EHR) data is becoming increasingly popular due to advances in deep architectures, representation learning, and the growing availability of large EHR datasets. Existing models generally assume access to the same data sources during both training and inference stages. However, this assumption is often challenged by the fact that real-world clinical datasets originate from various data sources (with distinct sets of covariates), which though can be available for training (in a research or retrospective setting), are more realistically only partially available (a subset of such sets) for inference when deployed. So motivated, we introduce Contrastive Learning for clinical Outcome Prediction with Partial data Sources (CLOPPS), that trains encoders to capture information across different data sources and then leverages them to build classifiers restricting access to a single data source. This approach can be used with existing cross-sectional or longitudinal outcome classification models. We present experiments on two real-world datasets demonstrating that CLOPPS consistently outperforms strong baselines in several practical scenarios.
Position: Rethinking Post-Hoc Search-Based Neural Approaches for Solving Large-Scale Traveling Salesman Problems
Authors: Yifan Xia, Xianliang Yang, Zichuan Liu, Zhihao Liu, Lei Song, Jiang Bian

Recent advancements in solving large-scale traveling salesman problems (TSP) utilize the heatmap-guided Monte Carlo tree search (MCTS) paradigm, where machine learning (ML) models generate heatmaps, indicating the probability distribution of each edge being part of the optimal solution, to guide MCTS in solution finding. However, our theoretical and experimental analysis raises doubts about the effectiveness of ML-based heatmap generation. In support of this, we demonstrate that a simple baseline method can outperform complex ML approaches in heatmap generation. Furthermore, we question the practical value of the heatmap-guided MCTS paradigm. To substantiate this, our findings show its inferiority to the LKH-3 heuristic despite the paradigm’s reliance on problem-specific, hand-crafted strategies. For the future, we suggest research directions focused on developing more theoretically sound heatmap generation methods and exploring autonomous, generalizable ML approaches for combinatorial problems. The code is available for review: https://github.com/xyfffff/rethink_mcts_for_tsp.
Delving into the Convergence of Generalized Smooth Minimax Optimization
Authors: Wenhan Xian, Ziyi Chen, Heng Huang

Minimax optimization is fundamental and important for enormous machine learning applications such as generative adversarial network, adversarial training, and robust optimization. Recently, a variety of minimax algorithms with theoretical guarantees based on Lipschitz smoothness have been proposed. However, these algorithms could fail to converge in practice because the requisite Lipschitz smooth condition may not hold even in some classic minimax problems. We will present some counterexamples to reveal this divergence issue. Thus, to fill this gap, we are motivated to delve into the convergence analysis of minimax algorithms under a relaxed Lipschitz smoothness condition, i.e., generalized smoothness. We prove that variants of basic minimax optimization algorithms GDA, SGDA, GDmax and SGDmax can still converge in generalized smooth problems, and hence their theoretical guarantees can be extended to a wider range of applications. We also conduct a numerical experiment to validate the performance of our proposed algorithms.
Differentially Private Post-Processing for Fair Regression
Authors: Ruicheng Xian, Qiaobo Li, Gautam Kamath, Han Zhao

This paper describes a differentially private post-processing algorithm for learning fair regressors satisfying statistical parity, addressing privacy concerns of machine learning models trained on sensitive data, as well as fairness concerns of their potential to propagate historical biases. Our algorithm can be applied to post-process any given regressor to improve fairness by remapping its outputs. It consists of three steps: first, the output distributions are estimated privately via histogram density estimation and the Laplace mechanism, then their Wasserstein barycenter is computed, and the optimal transports to the barycenter are used for post-processing to satisfy fairness. We analyze the sample complexity of our algorithm and provide fairness guarantee, revealing a trade-off between the statistical bias and variance induced from the choice of the number of bins in the histogram, in which using less bins always favors fairness at the expense of error.
Towards Neural Architecture Search through Hierarchical Generative Modeling
Authors: Lichuan Xiang, Łukasz Dudziak, Mohamed S Abdelfattah, Abhinav Mehrotra, Nicholas Donald Lane, Hongkai Wen

Neural Architecture Search (NAS) aims to automate deep neural network design across various applications, while a good search space design is core to NAS performance. A too-narrow search space may fail to cover diverse task requirements, whereas a too-broad one can escalate computational expenses and reduce efficiency. %We propose automatically generating the search space to tailor it to specific task conditions, optimizing search costs and producing viable architectures. In this work, we aim to address this challenge by leaning on the recent advances in generative modelling – we propose a novel method that can navigate through an extremely large, general-purpose initial search space efficiently by training a two-level generative model hierarchy. The first level uses Conditional Continuous Normalizing Flow (CCNF) for micro-cell design, while the second employs a transformer-based sequence generator to craft macro architectures aligned with task needs and architectural constraints. To ensure computational feasibility, we pretrain the generative models in a task-agnostic manner using a metric space of graph and zero-cost (ZC) similarities between architectures. We show our approach can achieve state-of-the-art performance among other low-cost NAS methods across different tasks on CIFAR-10/100, ImageNet and NAS-Bench-360.
Towards a Self-contained Data-driven Global Weather Forecasting Framework
Authors: Yi Xiao, Lei Bai, Wei Xue, Hao Chen, Kun Chen, Kang Chen, Tao Han, Wanli Ouyang

Data-driven weather forecasting models are advancing rapidly, yet they rely on initial states (i.e., analysis states) typically produced by traditional data assimilation algorithms. Four-dimensional variational assimilation (4DVar) is one of the most widely adopted data assimilation algorithms in numerical weather prediction centers; it is accurate but computationally expensive. In this paper, we aim to couple the AI forecasting model, FengWu, with 4DVar to build a self-contained data-driven global weather forecasting framework, FengWu-4DVar. To achieve this, we propose an AI-embedded 4DVar algorithm that includes three components: (1) a 4DVar objective function embedded with the FengWu forecasting model and its error representation to enhance efficiency and accuracy; (2) a spherical-harmonic-transform-based (SHT-based) approximation strategy for capturing the horizontal correlation of background error; and (3) an auto-differentiation (AD) scheme for determining the optimal analysis fields. Experimental results show that under the ERA5 simulated observational data with varying proportions and noise levels, FengWu-4DVar can generate accurate analysis fields; remarkably, it has achieved stable self-contained global weather forecasts for an entire year for the first time, demonstrating its potential for real-world applications. Additionally, our framework is approximately 100 times faster than the traditional 4DVar algorithm under similar experimental conditions, highlighting its significant computational efficiency.
Category-Aware Active Domain Adaptation
Authors: Wenxiao Xiao, Jiuxiang Gu, Hongfu Liu

Active domain adaptation has shown promising results in enhancing unsupervised domain adaptation (DA), by actively selecting and annotating a small amount of unlabeled samples from the target domain. Despite its effectiveness in boosting overall performance, the gain usually concentrates on the categories that are readily improvable, while challenging categories that demand the utmost attention are often overlooked by existing models. To alleviate this discrepancy, we propose a novel category-aware active DA method that aims to boost the adaptation for the individual category without adversely affecting others. Specifically, our approach identifies the unlabeled data that are most important for the recognition of the targeted category. Our method assesses the impact of each unlabeled sample on the recognition loss of the target data via the influence function, which allows us to directly evaluate the sample importance, without relying on indirect measurements used by existing methods. Comprehensive experiments and in-depth explorations demonstrate the efficacy of our method on category-aware active DA over three datasets.
Improved Operator Learning by Orthogonal Attention
Authors: Zipeng Xiao, Zhongkai Hao, Bokai Lin, Zhijie Deng, Hang Su

This work presents orthogonal attention for constructing neural operators to serve as surrogates to model the solutions of a family of Partial Differential Equations (PDEs). The motivation is that the kernel integral operator, which is usually at the core of neural operators, can be reformulated with orthonormal eigenfunctions. Inspired by the success of the neural approximation of eigenfunctions (Deng et al., 2022), we opt to directly parameterize the involved eigenfunctions with flexible neural networks (NNs), based on which the input function is then transformed by the rule of kernel integral. Surprisingly, the resulting NN module bears a striking resemblance to regular attention mechanisms, albeit without softmax. Instead, it incorporates an orthogonalization operation that provides regularization during model training and helps mitigate overfitting, particularly in scenarios with limited data availability. In practice, the orthogonalization operation can be implemented with minimal additional overheads. Experiments on six standard neural operator benchmark datasets comprising both regular and irregular geometries show that our method can outperform competing baselines with decent margins.
Improving Transformers with Dynamically Composable Multi-Head Attention
Authors: Da Xiao, Qingye Meng, Shengping Li, Xingyuan Yuan

Multi-Head Attention (MHA) is a key component of Transformer. In MHA, attention heads work independently, causing problems such as low-rank bottleneck of attention score matrices and head redundancy. We propose Dynamically Composable Multi-Head Attention (DCMHA), a parameter and computation efficient attention architecture that tackles the shortcomings of MHA and increases the expressive power of the model by dynamically composing attention heads. At the core of DCMHA is a Compose function that transforms the attention score and weight matrices in an input-dependent way. DCMHA can be used as a drop-in replacement of MHA in any transformer architecture to obtain the corresponding DCFormer. DCFormer significantly outperforms Transformer on different architectures and model scales in language modeling, matching the performance of models with 1.7x-2.0x compute. For example, DCPythia-6.9B outperforms open source Pythia-12B on both pretraining perplexity and downstream task evaluation.
Uniformly Stable Algorithms for Adversarial Training and Beyond
Authors: Jiancong Xiao, Jiawei Zhang, Zhi-Quan Luo, Asuman E. Ozdaglar

In adversarial machine learning, neural networks suffer from a significant issue known as robust overfitting, where the robust test accuracy decreases over epochs (Rice et al., 2020). Recent research conducted by Xing et al., 2021;Xiao et al., 2022 has focused on studying the uniform stability of adversarial training. Their investigations revealed that SGD-based adversarial training fails to exhibit uniform stability, and the derived stability bounds align with the observed phenomenon of robust overfitting in experiments. This finding motivates us to develop uniformly stable algorithms specifically tailored for adversarial training. To this aim, we introduce Moreau envelope-$\mathcal{A}$ (ME-$\mathcal{A}$), a variant of the Moreau Envelope-type algorithm. We employ a Moreau envelope function to reframe the original problem as a min-min problem, separating the non-strong convexity and non-smoothness of the adversarial loss. Then, this approach alternates between solving the inner and outer minimization problems to achieve uniform stability without incurring additional computational overhead. In practical scenarios, we demonstrate the efficacy of ME-$\mathcal{A}$ in mitigating the issue of robust overfitting. Beyond its application in adversarial training, this represents a fundamental result in uniform stability analysis, as ME-$\mathcal{A}$ is the first algorithm to exhibit uniform stability for weakly-convex, non-smooth problems.
Temporal Spiking Neural Networks with Synaptic Delay for Graph Reasoning
Authors: Mingqing Xiao, Yixin Zhu, Di He, Zhouchen Lin

Spiking neural networks (SNNs) are investigated as biologically inspired models of neural computation, distinguished by their computational capability and energy efficiency due to precise spiking times and sparse spikes with event-driven computation. A significant question is how SNNs can emulate human-like graph-based reasoning of concepts and relations, especially leveraging the temporal domain optimally. This paper reveals that SNNs, when amalgamated with synaptic delay and temporal coding, are proficient in executing (knowledge) graph reasoning. It is elucidated that spiking time can function as an additional dimension to encode relation properties via a neural-generalized path formulation. Empirical results highlight the efficacy of temporal delay in relation processing and showcase exemplary performance in diverse graph reasoning tasks. The spiking model is theoretically estimated to achieve $20\times$ energy savings compared to non-spiking counterparts, deepening insights into the capabilities and potential of biologically inspired SNNs for efficient reasoning. The code is available at https://github.com/pkuxmq/GRSNN.
Efficient Contrastive Learning for Fast and Accurate Inference on Graphs
Authors: Teng Xiao, Huaisheng Zhu, Zhiwei Zhang, Zhimeng Guo, Charu C. Aggarwal, Suhang Wang, Vasant G Honavar

Graph contrastive learning has made remarkable advances in settings where there is a scarcity of task-specific labels. Despite these advances, the significant computational overhead for representation inference incurred by existing methods that rely on intensive message passing makes them unsuitable for latency-constrained applications. In this paper, we present GraphECL, a simple and efficient contrastive learning method for fast inference on graphs. GraphECL does away with the need for expensive message passing during inference. Specifically, it introduces a novel coupling of the MLP and GNN models, where the former learns to computationally efficiently mimic the computations performed by the latter. We provide a theoretical analysis showing why MLP can capture essential structural information in neighbors well enough to match the performance of GNN in downstream tasks. The extensive experiments on widely used real-world benchmarks that show that GraphECL achieves superior performance and inference efficiency compared to state-of-the-art graph constrastive learning (GCL) methods on homophilous and heterophilous graphs.
CCM: Real-Time Controllable Visual Content Creation Using Text-to-Image Consistency Models
Authors: Jie Xiao, Kai Zhu, Han Zhang, Zhiheng Liu, Yujun Shen, Zhantao Yang, Ruili Feng, Yu Liu, Xueyang Fu, Zheng-Jun Zha

Consistency Models (CMs) have showed a promise in creating high-quality images with few steps. However, the way to add new conditional controls to the pre-trained CMs has not been explored. In this paper, we explore the pivotal subject of leveraging the generative capacity and efficiency of consistency models to facilitate controllable visual content creation via ControlNet. First, it is observed that ControlNet trained for diffusion models (DMs) can be directly applied to CMs for high-level semantic controls but sacrifice image low-level details and realism. To tackle with this issue, we develop a CMs-tailored training strategy for ControlNet using the consistency training. It is substantiated that ControlNet can be successfully established through the consistency training technique. Besides, a unified adapter can be trained utilizing the consistency training, which enhances the adaptation of DM’s ControlNet. We quantitatively and qualitatively evaluate all strategies across various conditional controls, including sketch, hed, canny, depth, human pose, low-resolution image and masked image, with the pre-trained text-to-image latent consistency models.
Intersecting-Boundary-Sensitive Fingerprinting for Tampering Detection of DNN Models
Authors: Bai Xiaofan, Chaoxiang He, Xiaojing Ma, Bin Benjamin Zhu, Hai Jin

Cloud-based AI services offer numerous benefits but also introduce vulnerabilities, allowing for tampering with deployed DNN models, ranging from injecting malicious behaviors to reducing computing resources. Fingerprint samples are generated to query models to detect such tampering. In this paper, we present Intersecting-Boundary-Sensitive Fingerprinting (IBSF), a novel method for black-box integrity verification of DNN models using only top-1 labels. Recognizing that tampering with a model alters its decision boundary, IBSF crafts fingerprint samples from normal samples by maximizing the partial Shannon entropy of a selected subset of categories to position the fingerprint samples near decision boundaries where the categories in the subset intersect. These fingerprint samples are almost indistinguishable from their source samples. We theoretically establish and confirm experimentally that these fingerprint samples’ expected sensitivity to tampering increases with the cardinality of the subset. Extensive evaluation demonstrates that IBSF surpasses existing state-of-the-art fingerprinting methods, particularly with larger subset cardinality, establishing its state-of-the-art performance in black-box tampering detection using only top-1 labels. The IBSF code is available at https://github.com/CGCL-codes/IBSF.
Learning to Explore in POMDPs with Informational Rewards
Authors: Annie Xie, Logan Mondal Bhamidipaty, Evan Zheran Liu, Joey Hong, Sergey Levine, Chelsea Finn

Standard exploration methods typically rely on random coverage of the state space or coverage-promoting exploration bonuses. However, in partially observed settings, the biggest exploration challenge is often posed by the need to discover information-gathering strategies—e.g., an agent that has to navigate to a location in traffic might learn to first check traffic conditions and then choose a route. In this work, we design a POMDP agent that gathers information about the hidden state, using ideas from the meta-exploration literature. Our approach provides an exploration bonus that rewards the agent for gathering information about the state that is relevant for completing the task. While this requires the agent to know what this information is during training, it can obtained in several ways: in the most general case, off-policy algorithms can leverage knowledge about the entire trajectory to determine such information in hindsight, but the user can also provide prior knowledge (e.g., privileged information) to help inform the training process. Through experiments in several partially-observed environments, we find that our approach is competitive with prior methods when minimal exploration is needed, but substantially outperforms them when more complex strategies are required. Our algorithm also shows the ability to learn without any privileged information, by reasoning about the entire trajectory in hindsight and and effectively using any information it reveals about the hidden state.
Automating the Selection of Proxy Variables of Unmeasured Confounders
Authors: Feng Xie, Zhengming Chen, Shanshan Luo, Wang Miao, Ruichu Cai, Zhi Geng

Recently, interest has grown in the use of proxy variables of unobserved confounding for inferring the causal effect in the presence of unmeasured confounders from observational data. One difficulty inhibiting the practical use is finding valid proxy variables of unobserved confounding to a target causal effect of interest. These proxy variables are typically justified by background knowledge. In this paper, we investigate the estimation of causal effects among multiple treatments and a single outcome, all of which are affected by unmeasured confounders, within a linear causal model, without prior knowledge of the validity of proxy variables. To be more specific, we first extend the existing proxy variable estimator, originally addressing a single unmeasured confounder, to accommodate scenarios where multiple unmeasured confounders exist between the treatments and the outcome. Subsequently, we present two different sets of precise identifiability conditions for selecting valid proxy variables of unmeasured confounders, based on the second-order statistics and higher-order statistics of the data, respectively. Moreover, we propose two data-driven methods for the selection of proxy variables and for the unbiased estimation of causal effects. Theoretical analysis demonstrates the correctness of our proposed algorithms. Experimental results on both synthetic and real-world data show the effectiveness of the proposed approach.
FedREDefense: Defending against Model Poisoning Attacks for Federated Learning using Model Update Reconstruction Error
Authors: Yueqi Xie, Minghong Fang, Neil Zhenqiang Gong

Federated Learning (FL) faces threats from model poisoning attacks. Existing defenses, typically relying on cross-client/global information to mitigate these attacks, fall short when faced with non-IID data distributions and/or a large number of malicious clients. To address these challenges, we present FedREDefense. Unlike existing methods, it doesn’t hinge on similar distributions across clients or a predominant presence of benign clients. Instead, it assesses the likelihood that a client’s model update is a product of genuine training, solely based on the characteristics of the model update itself. Our key finding is that model updates stemming from genuine training can be approximately reconstructed with some distilled local knowledge, while those from deliberate handcrafted model poisoning attacks cannot. Drawing on this distinction, FedREDefense identifies and filters out malicious clients based on the discrepancies in their model update Reconstruction Errors. Empirical tests on three benchmark datasets confirm that FedREDefense successfully filters model poisoning attacks in FL—even in scenarios with high non-IID degrees and large numbers of malicious clients.