Performance Analysis
Estimating weighted areas under the ROC curve
Exponential bounds on the estimation error are given for the plug-in estimator of weighted areas under the ROC curve. The bounds hold for single score functions and uniformly over classes of functions, whose complexity can be controlled by Gaussian or Rademacher averages. The results justify learning algorithms which select score functions to maximize the empirical partial area under the curve (pAUC). They also illustrate the use of some recent advances in the theory of nonlinear empirical processes.
Bootstrapping neural processes
Unlike in the traditional statistical modeling for which a user typically hand-specify a prior, Neural Processes (NPs) implicitly define a broad class of stochastic processes with neural networks. Given a data stream, NP learns a stochastic process that best describes the data. While this data-driven'' way of learning stochastic processes has proven to handle various types of data, NPs still relies on an assumption that uncertainty in stochastic processes is modeled by a single latent variable, which potentially limits the flexibility. To this end, we propose the Bootstrapping Neural Process (BNP), a novel extension of the NP family using the bootstrap. The bootstrap is a classical data-driven technique for estimating uncertainty, which allows BNP to learn the stochasticity in NPs without assuming a particular form.
A Unified Detection Framework for Inference-Stage Backdoor Defenses
Backdoor attacks involve inserting poisoned samples during training, resulting in a model containing a hidden backdoor that can trigger specific behaviors without impacting performance on normal samples. These attacks are challenging to detect, as the backdoored model appears normal until activated by the backdoor trigger, rendering them particularly stealthy. In this study, we devise a unified inference-stage detection framework to defend against backdoor attacks. We first rigorously formulate the inference-stage backdoor detection problem, encompassing various existing methods, and discuss several challenges and limitations. We then propose a framework with provable guarantees on the false positive rate or the probability of misclassifying a clean sample. Further, we derive the most powerful detection rule to maximize the detection power, namely the rate of accurately identifying a backdoor sample, given a false positive rate under classical learning scenarios.
CARLANE: A Lane Detection Benchmark for Unsupervised Domain Adaptation from Simulation to multiple Real-World Domains
Unsupervised Domain Adaptation demonstrates great potential to mitigate domain shifts by transferring models from labeled source domains to unlabeled target domains. While Unsupervised Domain Adaptation has been applied to a wide variety of complex vision tasks, only few works focus on lane detection for autonomous driving. This can be attributed to the lack of publicly available datasets. To facilitate research in these directions, we propose CARLANE, a 3-way sim-to-real domain adaptation benchmark for 2D lane detection. These datasets are built from three different domains, which cover diverse scenes and contain a total of 163K unique images, 118K of which are annotated.
ParK: Sound and Efficient Kernel Ridge Regression by Feature Space Partitions
We introduce ParK, a new large-scale solver for kernel ridge regression. Our approach combines partitioning with random projections and iterative optimization to reduce space and time complexity while provably maintaining the same statistical accuracy. In particular, constructing suitable partitions directly in the feature space rather than in the input space, we promote orthogonality between the local estimators, thus ensuring that key quantities such as local effective dimension and bias remain under control. We characterize the statistical-computational tradeoff of our model, and demonstrate the effectiveness of our method by numerical experiments on large-scale datasets.
Kolmogorov-Arnold Neural Networks for High-Entropy Alloys Design
Bandyopadhyay, Yagnik, Avlani, Harshil, Zhuang, Houlong L.
A wide range of deep learning-based machine learning techniques are extensively applied to the design of high-entropy alloys (HEAs), yielding numerous valuable insights. Kolmogorov-Arnold Networks (KAN) is a recently developed architecture that aims to improve both the accuracy and interpretability of input features. In this work, we explore three different datasets for HEA design and demonstrate the application of KAN for both classification and regression models. In the first example, we use a KAN classification model to predict the probability of single-phase formation in high-entropy carbide ceramics based on various properties such as mixing enthalpy and valence electron concentration. In the second example, we employ a KAN regression model to predict the yield strength and ultimate tensile strength of HEAs based on their chemical composition and process conditions including annealing time, cold rolling percentage, and homogenization temperature. The third example involves a KAN classification model to determine whether a certain composition is an HEA or non-HEA, followed by a KAN regressor model to predict the bulk modulus of the identified HEA, aiming to identify HEAs with high bulk modulus. In all three examples, KAN either outperform or match the performance in terms of accuracy such as F1 score for classification and Mean Square Error (MSE), and coefficient of determination (R2) for regression of the multilayer perceptron (MLP) by demonstrating the efficacy of KAN in handling both classification and regression tasks. We provide a promising direction for future research to explore advanced machine learning techniques, which lead to more accurate predictions and better interpretability of complex materials, ultimately accelerating the discovery and optimization of HEAs with desirable properties.
Unpacking Failure Modes of Generative Policies: Runtime Monitoring of Consistency and Progress
Agia, Christopher, Sinha, Rohan, Yang, Jingyun, Cao, Zi-ang, Antonova, Rika, Pavone, Marco, Bohg, Jeannette
Robot behavior policies trained via imitation learning are prone to failure under conditions that deviate from their training data. Thus, algorithms that monitor learned policies at test time and provide early warnings of failure are necessary to facilitate scalable deployment. We propose Sentinel, a runtime monitoring framework that splits the detection of failures into two complementary categories: 1) Erratic failures, which we detect using statistical measures of temporal action consistency, and 2) task progression failures, where we use Vision Language Models (VLMs) to detect when the policy confidently and consistently takes actions that do not solve the task. Our approach has two key strengths. First, because learned policies exhibit diverse failure modes, combining complementary detectors leads to significantly higher accuracy at failure detection. Second, using a statistical temporal action consistency measure ensures that we quickly detect when multimodal, generative policies exhibit erratic behavior at negligible computational cost. In contrast, we only use VLMs to detect failure modes that are less time-sensitive. We demonstrate our approach in the context of diffusion policies trained on robotic mobile manipulation domains in both simulation and the real world. By unifying temporal consistency detection and VLM runtime monitoring, Sentinel detects 18% more failures than using either of the two detectors alone and significantly outperforms baselines, thus highlighting the importance of assigning specialized detectors to complementary categories of failure. Qualitative results are made available at https://sites.google.com/stanford.edu/sentinel.
KnowGraph: Knowledge-Enabled Anomaly Detection via Logical Reasoning on Graph Data
Zhou, Andy, Xu, Xiaojun, Raghunathan, Ramesh, Lal, Alok, Guan, Xinze, Yu, Bin, Li, Bo
Graph-based anomaly detection is pivotal in diverse security applications, such as fraud detection in transaction networks and intrusion detection for network traffic. Standard approaches, including Graph Neural Networks (GNNs), often struggle to generalize across shifting data distributions. Meanwhile, real-world domain knowledge is more stable and a common existing component of real-world detection strategies. To explicitly integrate such knowledge into data-driven models such as GCNs, we propose KnowGraph, which integrates domain knowledge with data-driven learning for enhanced graph-based anomaly detection. KnowGraph comprises two principal components: (1) a statistical learning component that utilizes a main model for the overarching detection task, augmented by multiple specialized knowledge models that predict domain-specific semantic entities; (2) a reasoning component that employs probabilistic graphical models to execute logical inferences based on model outputs, encoding domain knowledge through weighted first-order logic formulas. Extensive experiments on these large-scale real-world datasets show that KnowGraph consistently outperforms state-of-the-art baselines in both transductive and inductive settings, achieving substantial gains in average precision when generalizing to completely unseen test graphs. Further ablation studies demonstrate the effectiveness of the proposed reasoning component in improving detection performance, especially under extreme class imbalance. These results highlight the potential of integrating domain knowledge into data-driven models for high-stakes, graph-based security applications.
DA-Code: Agent Data Science Code Generation Benchmark for Large Language Models
Huang, Yiming, Luo, Jianwen, Yu, Yan, Zhang, Yitong, Lei, Fangyu, Wei, Yifan, He, Shizhu, Huang, Lifu, Liu, Xiao, Zhao, Jun, Liu, Kang
We introduce DA-Code, a code generation benchmark specifically designed to assess LLMs on agent-based data science tasks. This benchmark features three core elements: First, the tasks within DA-Code are inherently challenging, setting them apart from traditional code generation tasks and demanding advanced coding skills in grounding and planning. Second, examples in DA-Code are all based on real and diverse data, covering a wide range of complex data wrangling and analytics tasks. Third, to solve the tasks, the models must utilize complex data science programming languages, to perform intricate data processing and derive the answers. We set up the benchmark in a controllable and executable environment that aligns with real-world data analysis scenarios and is scalable. The annotators meticulously design the evaluation suite to ensure the accuracy and robustness of the evaluation. We develop the DA-Agent baseline. Experiments show that although the baseline performs better than other existing frameworks, using the current best LLMs achieves only 30.5% accuracy, leaving ample room for improvement. We release our benchmark at https://da-code-bench.github.io.
Impact of Missing Values in Machine Learning: A Comprehensive Analysis
Ahmad, Abu Fuad, Sayeed, Md Shohel, Alshammari, Khaznah, Ahmed, Istiaque
Machine learning (ML) has become a ubiquitous tool across various domains of data mining and big data analysis. The efficacy of ML models depends heavily on high-quality datasets, which are often complicated by the presence of missing values. Consequently, the performance and generalization of ML models are at risk in the face of such datasets. This paper aims to examine the nuanced impact of missing values on ML workflows, including their types, causes, and consequences. Our analysis focuses on the challenges posed by missing values, including biased inferences, reduced predictive power, and increased computational burdens. The paper further explores strategies for handling missing values, including imputation techniques and removal strategies, and investigates how missing values affect model evaluation metrics and introduces complexities in cross-validation and model selection. The study employs case studies and real-world examples to illustrate the practical implications of addressing missing values. Finally, the discussion extends to future research directions, emphasizing the need for handling missing values ethically and transparently. The primary goal of this paper is to provide insights into the pervasive impact of missing values on ML models and guide practitioners toward effective strategies for achieving robust and reliable model outcomes.