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 Performance Analysis


Generalization Error Rates in Kernel Regression: The Crossover from the Noiseless to Noisy Regime

Neural Information Processing Systems

In this manuscript we consider Kernel Ridge Regression (KRR) under the Gaussian design. Exponents for the decay of the excess generalization error of KRR have been reported in various works under the assumption of power-law decay of eigenvalues of the features co-variance. These decays were, however, provided for sizeably different setups, namely in the noiseless case with constant regularization and in the noisy optimally regularized case. Intermediary settings have been left substantially uncharted. In this work, we unify and extend this line of work, providing characterization of all regimes and excess error decay rates that can be observed in terms of the interplay of noise and regularization.


Approximate Cross-Validation for Structured Models

Neural Information Processing Systems

Many modern data analyses benefit from explicitly modeling dependence structure in data -- such as measurements across time or space, ordered words in a sentence, or genes in a genome. A gold standard evaluation technique is structured cross-validation (CV), which leaves out some data subset (such as data within a time interval or data in a geographic region) in each fold. But CV here can be prohibitively slow due to the need to re-run already-expensive learning algorithms many times. Previous work has shown approximate cross-validation (ACV) methods provide a fast and provably accurate alternative in the setting of empirical risk minimization. But this existing ACV work is restricted to simpler models by the assumptions that (i) data across CV folds are independent and (ii) an exact initial model fit is available. In structured data analyses, both these assumptions are often untrue.


Estimating weighted areas under the ROC curve

Neural Information Processing Systems

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

Neural Information Processing Systems

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

Neural Information Processing Systems

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

Neural Information Processing Systems

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

Neural Information Processing Systems

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

arXiv.org Artificial Intelligence

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

arXiv.org Artificial Intelligence

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

arXiv.org Artificial Intelligence

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.