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$α$-TCAV: A Unified Framework for Testing with Concept Activation Vectors

arXiv.org Machine Learning

Concept Activation Vectors (CAVs) are a fundamental tool for concept-based explainability in deep learning, yet their practical utility is limited by statistical instability. We analyze the stochastic nature of CAVs and the Testing with CAVs (TCAV) method, deriving the distributions of major CAV classes including PatternCAV, FastCAV, and ridge regression-based CAVs. We then identify a fundamental flaw in the standard TCAV score: its reliance on a discontinuous indicator function induces non-decaying variance in critical regimes. To address this, we introduce $α$-TCAV, a generalized framework that replaces the indicator with a parameterized smooth function, yielding a unified probabilistic formulation that subsumes both TCAV and Multi-TCAV. We characterize the induced distributions of sensitivity scores and different TCAV variants, showing that established state-of-the-art choices lack theoretical justification. We provide principled guidance on tuning the parameter in $α$-TCAV -- either to imitate Multi-TCAV at substantially lower computational cost, or to obtain a calibrated Bayes-optimal probabilistic measure of a concept's influence. Finally, our analysis yields practical recommendations that challenge established routines: most notably, allocating the full sampling budget to a single CAV rather than splitting it across several.


Testing General Relativity Through Gravitational Wave Classification: A Convolutional Neural Network Framework

arXiv.org Machine Learning

We present a machine learning framework for testing general relativity (GR) with gravitational wave signals from binary black hole mergers. Using the source parameters of 173 BBH events from the GWTC catalog as a realistic astrophysical population, we generate simulated GR waveforms and construct beyond GR (BGR) waveforms by applying controlled phase deformations. We introduce a response function formalism that provides a systematic framework for quantifying how any observable responds to modifications of GR. We train convolutional neural networks (CNNs) on two input representations: whitened waveforms and a response function type observable derived from the waveform mismatch, which isolates the effect of phase deviations from the bulk signal. Using response functions as the CNN input improves the classification sensitivity by a factor of approximately 33 compared to whitened waveforms, demonstrating that the choice of observable representation is as important as the classifier architecture. We study the fundamental limits of this classification through Bayes optimal error analysis, averaging methods that reveal coherent patterns hidden in noise, and a comparison between CNN accuracy and a single feature classifier as a proxy for human performance. At all deformation scales, the CNN outperforms the best single feature approach. We extend the framework to physically motivated theories using the parameterized post Einsteinian (ppE) formalism and apply it to massive gravity, where the classifier detects deviations for graviton masses of order $m_g \sim 10^{-23}\;\mathrm{eV}/c^2$ with aLIGO design sensitivity.


Simultaneous Long-tailed Recognition and Multi-modal Fusion for Highly Imbalanced Multi-modal Data

arXiv.org Machine Learning

As datasets continue to expand in size and complexity, these models have become increasingly sophisticated, with deeper architectures and greater expressive power. Despite these advances, DNNs trained on imbalanced class distributions often exhibit a tendency to favor majority classes, leading to degraded performance on underrepresented classes [18, 39, 27, 17]. Because many real-world datasets follow long-tailed distributions in which minority classes can contain critical and informative patterns, developing methods that enable DNNs to learn effectively from imbalanced data is essential to prevent the loss of valuable information from these rare classes [26, 34, 16]. Moreover, data encountered in real-world applications are frequently multi-modal, meaning that observations originate from heterogeneous sources [6, 29, 7, 35]. To make effective use of such heterogeneous inputs, a wide range of multi-modal learning approaches have been proposed that exploit complementary information across modalities to enhance predictive performance [10, 5]. Common strategies integrate multiple modalities into a unified representation, using techniques that span from straightforward feature-level concatenation [19, 11, 12] to more sophisticated neural architectures that learn joint representations in an end-to-end manner [20, 32]. Although prior research has extensively studied class imbalance and multi-modal data separately, relatively little attentionhas beengiven to settings where bothchallenges arise si2 multaneously. Developing methods that can effectively handle long-tailed class distributions in conjunction with multi-modal inputs is therefore essential in many real-world applications. In the medical domain, for instance, datasets often contain far more samples from healthy individuals than from patients with specific conditions, while also encompassing diverse datatypes such asimagingdata(e.g., X-rays)alongsideauxiliary informationincluding demographics and clinical histories.


02bf86214e264535e3412283e817deaa-AuthorFeedback.pdf

Neural Information Processing Systems

We thank the reviewers for their insightful feedback, and we appreciate the opportunity to improve our paper. We will1 address typos and notational inconsistencies in the updated version.2 Response to Reviewer 1:3 We would like to emphasize that Theorem 1 is the most important contribution of our paper due to its generality.4 By considering the set of all possible classifiers, it provides lower bounds on adversarial robustness for any pair of5 class-conditional distributions. As we show in our experimental results in Section 6, we are able to obtain lower bounds6 for arbitrary real-world datasets by constructing the empirical distribution for these. In our estimation, these results7 serve to provide theoretical validation for adversarial training for low perturbation budgets as well as to highlight the8 gap to optimality for higher budgets.9


02a32ad2669e6fe298e607fe7cc0e1a0-AuthorFeedback.pdf

Neural Information Processing Systems

We thank all the reviewers (R1,R2,R3) for their feedback and suggestions.1 Table A: Multi-task comparison across task weights. We have per-2 formed loss balancing with five different weights t3 in the multi-task loss Lm = t Lc +(1 t) Lr for4 the classification and regression losses. The results5 on OmniArt are reported in Table A. Our proposal6 is robust to the weight value, tuning the task weight7 is not vital. We obtain a moderate gain for both clas-8 sification and regression with a weight of t = 0.25.9 For the multi-task baseline, emphasizing regression10 reduces the regression error, as the gradient magnitude of the regression loss is much lower than the one for the11 classification loss.


Deflation-Free Optimal Scoring

arXiv.org Machine Learning

Sparse Optimal Scoring (SOS) reformulates linear discriminant analysis to enable feature selection through elastic net regularization, making it well-suited for high-dimensional settings where the number of features exceeds observations. Most existing SOS methods use deflation-based strategies that compute discriminant vectors sequentially, which can propagate errors and produce suboptimal solutions. We propose a novel approach that estimates all discriminant vectors simultaneously under an explicit global orthogonality constraint, which we call Deflation-Free Sparse Optimal Scoring (DFSOS). DFSOS combines Bregman iteration with orthogonality-constrained optimization, decomposing the problem into tractable subproblems for scoring vectors, discriminant vectors, and orthogonality enforcement. We establish convergence to stationary points of the augmented Lagrangian under mild conditions. Extensive experiments using synthetic data and real-world time series data demonstrate that DFSOS achieves classification accuracy comparable to or better than existing deflation-based methods. These results indicate that deflation-free approaches offer a robust and effective framework for sparse discriminant analysis in high-dimensional problems.


High-dimensional Semi-supervised Classification via the Fermat Distance

arXiv.org Machine Learning

Semi-supervised classification, where unlabeled data are massive but labeled data are limited, often arises in machine learning applications. We address this challenge under high-dimensional data by leveraging the manifold and cluster assumptions. Based on the Fermat distance, a density-sensitive metric that naturally encodes the cluster assumption, we propose the weighted $k$-nearest neighbors (NN) classifier and multidimensional scaling (MDS)-induced classifiers. The use of MDS with a large target dimension allows the effective application of linear classifiers to complex manifold data. Theoretically, we derive a sharp lower bound for the expected excess risk within clusters and prove that the weighted $k$-NN classifier utilizing the true Fermat distance is minimax optimal. Furthermore, we explicitly quantify the utility of unlabeled data by showing that the error arising from estimating the Fermat distance decays exponentially with the pooled sample size. Such a rate is much faster than the related rates in the literature. Extensive experiments on synthetic and real datasets demonstrate competitive or superior performance of our approaches compared to state-of-the-art graph-based semi-supervised classifiers.


Adaptive Topological Feature via Persistent Homology: Filtration Learning for Point Clouds

Neural Information Processing Systems

Machine learning for point clouds has been attracting much attention, with many applications in various fields, such as shape recognition and material science. For enhancing the accuracy of such machine learning methods, it is often effective to incorporate global topological features, which are typically extracted by persistent homology. In the calculation of persistent homology for a point cloud, we choose a filtration for the point cloud, an increasing sequence of spaces. Since the performance of machine learning methods combined with persistent homology is highly affected by the choice of a filtration, we need to tune it depending on data and tasks. In this paper, we propose a framework that learns a filtration adaptively with the use of neural networks. In order to make the resulting persistent homology isometry-invariant, we develop a neural network architecture with such invariance. Additionally, we show a theoretical result on a finite-dimensional approximation of filtration functions, which justifies the proposed network architecture. Experimental results demonstrated the efficacy of our framework in several classification tasks.



Results

Neural Information Processing Systems

In addition to CYCLIP described in 2, we train two more instantiations of it by keeping either of the two consistency regularizers active in the loss objective (Eq. The instantiation trained by setting λ1 = 0and λ2 = 0.5is termed as C-CYCLIP as only cross-modal consistency regularizer term is added to the loss objective. Similarly, we get I-CYCLIP where only in-modal consistency regularizer is added to the loss by setting λ1 = 0.5 and λ2 = 0. We evaluate C-CYCLIP and I-CYCLIP on most of the experiments discussed in the main text to understand their zero-shot transfer ability on standard datasets and robustness to natural distribution shifts. A.1 Zero-shot Transfer Table 7 presents our results of the zero-shot transfer experiment described in 3.1. We find that CYCLIP outperforms its sub-variants and the CLIP model on the ImageNet1K dataset.