A reliable uncertainty estimation method is the foundation of many modern out-of-distribution (OOD) detectors, which are critical for safe deployments of deep learning models in the open world. In this work, we propose TULiP, a theoretically-driven post-hoc uncertainty estimator for OOD detection. Our approach considers a hypothetical perturbation applied to the network before convergence. Based on linearized training dynamics, we bound the effect of such perturbation, resulting in an uncertainty score computable by perturbing model parameters. Ultimately, our approach computes uncertainty from a set of sampled predictions. We visualize our bound on synthetic regression and classification datasets. Furthermore, we demonstrate the effectiveness of TULiP using large-scale OOD detection benchmarks for image classification. Our method exhibits state-of-the-art performance, particularly for near-distribution samples.
By replacing standard non-linearities with polynomial activations, Polynomial Neural Networks (PNNs) are pivotal for applications such as privacy-preserving inference via Homomorphic Encryption (HE). However, training PNNs effectively presents a significant challenge: low-degree polynomials can limit model expressivity, while higher-degree polynomials, crucial for capturing complex functions, often suffer from numerical instability and gradient explosion. We introduce a robust and versatile training framework featuring two synergistic innovations: 1) a novel Boundary Loss that exponentially penalizes activation inputs outside a predefined stable range, and 2) Selective Gradient Clipping that effectively tames gradient magnitudes while preserving essential Batch Normalization statistics. We demonstrate our framework's broad efficacy by training PNNs within deep architectures composed of HE-compatible layers (e.g., linear layers, average pooling, batch normalization, as used in ResNet variants) across diverse image, audio, and human activity recognition datasets. These models consistently achieve high accuracy with low-degree polynomial activations (such as degree 2) and, critically, exhibit stable training and strong performance with polynomial degrees up to 22, where standard methods typically fail or suffer severe degradation. Furthermore, the performance of these PNNs achieves a remarkable parity, closely approaching that of their original ReLU-based counterparts. Extensive ablation studies validate the contributions of our techniques and guide hyperparameter selection. We confirm the HE-compatibility of the trained models, advancing the practical deployment of accurate, stable, and secure deep learning inference.
Machine learning explainability aims to make the decision-making process of black-box models more transparent by finding the most important input features for a given prediction task. Recent works have proposed composing explanations from semantic concepts (e.g., colors, patterns, shapes) that are inherently interpretable to the user of a model. However, these methods generally ignore the communicative context of explanation-the ability of the user to understand the prediction of the model from the explanation. For example, while a medical doctor might understand an explanation in terms of clinical markers, a patient may need a more accessible explanation to make sense of the same diagnosis. In this paper, we address this gap with listener-adaptive explanations. We propose an iterative procedure grounded in principles of pragmatic reasoning and the rational speech act to generate explanations that maximize communicative utility. Our procedure only needs access to pairwise preferences between candidate explanations, relevant in real-world scenarios where a listener model may not be available. We evaluate our method in image classification tasks, demonstrating improved alignment between explanations and listener preferences across three datasets. Furthermore, we perform a user study that demonstrates our explanations increase communicative utility.
Conformal prediction enables the construction of high-coverage prediction sets for any pre-trained model, guaranteeing that the true label lies within the set with a specified probability. However, these sets do not provide probability estimates for individual labels, limiting their practical use. In this paper, we propose, to the best of our knowledge, the first method for assigning calibrated probabilities to elements of a conformal prediction set. Our approach frames this as an adaptive calibration problem, selecting an input-specific temperature parameter to match the desired coverage level. Experiments on several challenging image classification datasets demonstrate that our method maintains coverage guarantees while significantly reducing expected calibration error.
Foundation models have achieved great success across diverse domains, including remote sensing (RS), thanks to their versatility and strong generalization abilities. However, most RS foundation models are designed for multispectral data, while hyperspectral imagery (HSI) - with its hundreds of spectral bands - remains less explored. Fine-tuning such models for downstream tasks is also challenging, often demanding considerable memory and storage. In this paper, we propose an efficient framework to fine-tune SpectralGPT, a multispectral foundation model, for hyperspectral image classification (HSIC). We explore several Parameter-Efficient Fine-Tuning (PEFT) methods, including Low-Rank Adaptation (LoRA), Kronecker-based adaptation (KronA), Low-Rank Kronecker (LoKr), and the recent LoRA+, which uses distinct learning rates for low-rank adapters scaled by a factor lambda. Inspired by LoRA+, we introduce KronA+, which applies a similar mechanism to the Kronecker matrices. We evaluate our approach on five datasets from different sensors, showing competitive performance with state-of-the-art HSI models. Our full fine-tuning (FFT) setup for SpectralGPT even outperforms a dedicated hyperspectral foundation model on some datasets while requiring only a quarter of the training epochs. Under the same number of epochs, KronA+ reaches similar performance with far fewer trainable parameters - just 0.056 percent - and adds only approximately 0.2 megabytes of storage, making it the most effective PEFT method tested.
Generalization of deep-learning-based (DL) computer vision algorithms to various image perturbations is hard to establish and remains an active area of research. The majority of past analyses focused on the images already captured, whereas effects of the image formation pipeline and environment are less studied. In this paper, we address this issue by analyzing the impact of capture conditions, such as camera parameters and lighting, on DL model performance on 3 vision tasks -- image classification, object detection, and visual question answering (VQA). To this end, we assess capture bias in common vision datasets and create a new benchmark, SNAP (for $\textbf{S}$hutter speed, ISO se$\textbf{N}$sitivity, and $\textbf{AP}$erture), consisting of images of objects taken under controlled lighting conditions and with densely sampled camera settings. We then evaluate a large number of DL vision models and show the effects of capture conditions on each selected vision task. Lastly, we conduct an experiment to establish a human baseline for the VQA task. Our results show that computer vision datasets are significantly biased, the models trained on this data do not reach human accuracy even on the well-exposed images, and are susceptible to both major exposure changes and minute variations of camera settings. Code and data can be found at https://github.com/ykotseruba/SNAP
The design of optimization algorithms for neural networks remains a critical challenge, with most existing methods relying on heuristic adaptations of gradient-based approaches. This paper introduces KO (Kinetics-inspired Optimizer), a novel neural optimizer inspired by kinetic theory and partial differential equation (PDE) simulations. We reimagine the training dynamics of network parameters as the evolution of a particle system governed by kinetic principles, where parameter updates are simulated via a numerical scheme for the Boltzmann transport equation (BTE) that models stochastic particle collisions. This physics-driven approach inherently promotes parameter diversity during optimization, mitigating the phenomenon of parameter condensation, i.e. collapse of network parameters into low-dimensional subspaces, through mechanisms analogous to thermal diffusion in physical systems. We analyze this property, establishing both a mathematical proof and a physical interpretation. Extensive experiments on image classification (CIFAR-10/100, ImageNet) and text classification (IMDB, Snips) tasks demonstrate that KO consistently outperforms baseline optimizers (e.g., Adam, SGD), achieving accuracy improvements while computation cost remains comparable.
Fine-grained edited image detection of localized edits in images is crucial for assessing content authenticity, especially given that modern diffusion models and image editing methods can produce highly realistic manipulations. However, this domain faces three challenges: (1) Binary classifiers yield only a global real-or-fake label without providing localization; (2) Traditional computer vision methods often rely on costly pixel-level annotations; and (3) No large-scale, high-quality dataset exists for modern image-editing detection techniques. To address these gaps, we develop an automated data-generation pipeline to create FragFake, the first dedicated benchmark dataset for edited image detection, which includes high-quality images from diverse editing models and a wide variety of edited objects. Based on FragFake, we utilize Vision Language Models (VLMs) for the first time in the task of edited image classification and edited region localization. Experimental results show that fine-tuned VLMs achieve higher average Object Precision across all datasets, significantly outperforming pretrained models. We further conduct ablation and transferability analyses to evaluate the detectors across various configurations and editing scenarios. To the best of our knowledge, this work is the first to reformulate localized image edit detection as a vision-language understanding task, establishing a new paradigm for the field. We anticipate that this work will establish a solid foundation to facilitate and inspire subsequent research endeavors in the domain of multimodal content authenticity.
Deep learning has advanced computational pathology but expert annotations remain scarce. Few-shot learning mitigates annotation burdens yet suffers from overfitting and discriminative feature mischaracterization. In addition, the current few-shot multiple instance learning (MIL) approaches leverage pretrained vision-language models to alleviate these issues, but at the cost of complex preprocessing and high computational cost. We propose a Squeeze-and-Recalibrate (SR) block, a drop-in replacement for linear layers in MIL models to address these challenges. The SR block comprises two core components: a pair of low-rank trainable matrices (squeeze pathway, SP) that reduces parameter count and imposes a bottleneck to prevent spurious feature learning, and a frozen random recalibration matrix that preserves geometric structure, diversifies feature directions, and redefines the optimization objective for the SP. We provide theoretical guarantees that the SR block can approximate any linear mapping to arbitrary precision, thereby ensuring that the performance of a standard MIL model serves as a lower bound for its SR-enhanced counterpart. Extensive experiments demonstrate that our SR-MIL models consistently outperform prior methods while requiring significantly fewer parameters and no architectural changes.
This paper introduces a rigorous mathematical framework for neural network explainability, and more broadly for the explainability of equivariant operators called Group Equivariant Operators (GEOs) based on Group Equivariant Non-Expansive Operators (GENEOs) transformations. The central concept involves quantifying the distance between GEOs by measuring the non-commutativity of specific diagrams. Additionally, the paper proposes a definition of interpretability of GEOs according to a complexity measure that can be defined according to each user preferences. Moreover, we explore the formal properties of this framework and show how it can be applied in classical machine learning scenarios, like image classification with convolutional neural networks.
Activation functions are fundamental elements of deep learning architectures as they significantly influence training dynamics. ReLU, while widely used, is prone to the dying neuron problem, which has been mitigated by variants such as LeakyReLU, PReLU, and ELU that better handle negative neuron outputs. Recently, self-gated activations like GELU and Swish have emerged as state-of-the-art alternatives, leveraging their smoothness to ensure stable gradient flow and prevent neuron inactivity. In this work, we introduce the Gompertz Linear Unit (GoLU), a novel self-gated activation function defined as $\mathrm{GoLU}(x) = x \, \mathrm{Gompertz}(x)$, where $\mathrm{Gompertz}(x) = e^{-e^{-x}}$. The GoLU activation leverages the right-skewed asymmetry in the Gompertz function to reduce variance in the latent space more effectively compared to GELU and Swish, while preserving robust gradient flow. Extensive experiments across diverse tasks, including Image Classification, Language Modeling, Semantic Segmentation, Object Detection, Instance Segmentation, and Diffusion, highlight GoLU's superior performance relative to state-of-the-art activation functions, establishing GoLU as a robust alternative to existing activation functions.
This paper introduces a discriminator-free adversarial-based approach termed DDA-MLIC for Unsupervised Domain Adaptation (UDA) in the context of Multi-Label Image Classification (MLIC). While recent efforts have explored adversarial-based UDA methods for MLIC, they typically include an additional discriminator subnet. Nevertheless, decoupling the classification and the discrimination tasks may harm their task-specific discriminative power. Herein, we address this challenge by presenting a novel adversarial critic directly derived from the task-specific classifier. Specifically, we employ a two-component Gaussian Mixture Model (GMM) to model both source and target predictions, distinguishing between two distinct clusters. Instead of using the traditional Expectation Maximization (EM) algorithm, our approach utilizes a Deep Neural Network (DNN) to estimate the parameters of each GMM component. Subsequently, the source and target GMM parameters are leveraged to formulate an adversarial loss using the Fr\'echet distance. The proposed framework is therefore not only fully differentiable but is also cost-effective as it avoids the expensive iterative process usually induced by the standard EM method. The proposed method is evaluated on several multi-label image datasets covering three different types of domain shift. The obtained results demonstrate that DDA-MLIC outperforms existing state-of-the-art methods in terms of precision while requiring a lower number of parameters. The code is made publicly available at github.com/cvi2snt/DDA-MLIC.
Knowledge distillation (KD) is a valuable technique for compressing large deep learning models into smaller, edge-suitable networks. However, conventional KD frameworks rely on pre-trained high-capacity teacher networks, which introduce significant challenges such as increased memory/storage requirements, additional training costs, and ambiguity in selecting an appropriate teacher for a given student model. Although a teacher-free distillation (self-distillation) has emerged as a promising alternative, many existing approaches still rely on architectural modifications or complex training procedures, which limit their generality and efficiency. To address these limitations, we propose a novel framework based on teacher-free distillation that operates using a single student network without any auxiliary components, architectural modifications, or additional learnable parameters. Our approach is built on a simple yet highly effective augmentation, called intra-class patch swap augmentation. This augmentation simulates a teacher-student dynamic within a single model by generating pairs of intra-class samples with varying confidence levels, and then applying instance-to-instance distillation to align their predictive distributions. Our method is conceptually simple, model-agnostic, and easy to implement, requiring only a single augmentation function. Extensive experiments across image classification, semantic segmentation, and object detection show that our method consistently outperforms both existing self-distillation baselines and conventional teacher-based KD approaches. These results suggest that the success of self-distillation could hinge on the design of the augmentation itself. Our codes are available at https://github.com/hchoi71/Intra-class-Patch-Swap.
Vision Mamba has recently emerged as a promising alternative to Transformer-based architectures, offering linear complexity in sequence length while maintaining strong modeling capacity. However, its adaptation to visual inputs is hindered by challenges in 2D-to-1D patch serialization and weak scalability across input resolutions. Existing serialization strategies such as raster scanning disrupt local spatial continuity and limit the model's ability to generalize across scales. In this paper, we propose FractalMamba++, a robust vision backbone that leverages fractal-based patch serialization via Hilbert curves to preserve spatial locality and enable seamless resolution adaptability. To address long-range dependency fading in high-resolution inputs, we further introduce a Cross-State Routing (CSR) mechanism that enhances global context propagation through selective state reuse. Additionally, we propose a Positional-Relation Capture (PRC) module to recover local adjacency disrupted by curve inflection points. Extensive experiments on image classification, semantic segmentation, object detection, and change detection demonstrate that FractalMamba++ consistently outperforms previous Mamba-based backbones, particularly under high-resolution settings.
The pursuit of decision safety in clinical applications highlights the potential of concept-based methods in medical imaging. While these models offer active interpretability, they often suffer from concept leakages, where unintended information within soft concept representations undermines both interpretability and generalizability. Moreover, most concept-based models focus solely on local explanations (instance-level), neglecting the global decision logic (dataset-level). To address these limitations, we propose Concept Rule Learner (CRL), a novel framework to learn Boolean logical rules from binarized visual concepts. CRL employs logical layers to capture concept correlations and extract clinically meaningful rules, thereby providing both local and global interpretability. Experiments on two medical image classification tasks show that CRL achieves competitive performance with existing methods while significantly improving generalizability to out-of-distribution data. The code of our work is available at https://github.com/obiyoag/crl.
We study Transformers through the perspective of optimal control theory, using tools from continuous-time formulations to derive actionable insights into training and architecture design. This framework improves the performance of existing Transformer models while providing desirable theoretical guarantees, including generalization and robustness. Our framework is designed to be plug-and-play, enabling seamless integration with established Transformer models and requiring only slight changes to the implementation. We conduct seven extensive experiments on tasks motivated by text generation, sentiment analysis, image classification, and point cloud classification. Experimental results show that the framework improves the test performance of the baselines, while being more parameter-efficient. On character-level text generation with nanoGPT, our framework achieves a 46% reduction in final test loss while using 42% fewer parameters. On GPT-2, our framework achieves a 5.6% reduction in final test loss, demonstrating scalability to larger models. To the best of our knowledge, this is the first work that applies optimal control theory to both the training and architecture of Transformers. It offers a new foundation for systematic, theory-driven improvements and moves beyond costly trial-and-error approaches.
Sequential Monte Carlo (SMC) methods offer a principled approach to Bayesian uncertainty quantification but are traditionally limited by the need for full-batch gradient evaluations. We introduce a scalable variant by incorporating Stochastic Gradient Hamiltonian Monte Carlo (SGHMC) proposals into SMC, enabling efficient mini-batch based sampling. Our resulting SMCSGHMC algorithm outperforms standard stochastic gradient descent (SGD) and deep ensembles across image classification, out-of-distribution (OOD) detection, and transfer learning tasks. We further show that SMCSGHMC mitigates overfitting and improves calibration, providing a flexible, scalable pathway for converting pretrained neural networks into well-calibrated Bayesian models.
Conformal prediction is a framework for predictive inference with a distribution-free, finite-sample guarantee. However, it tends to provide uninformative prediction sets when calibration data are scarce. This paper introduces Synthetic-powered predictive inference (SPPI), a novel framework that incorporates synthetic data -- e.g., from a generative model -- to improve sample efficiency. At the core of our method is a score transporter: an empirical quantile mapping that aligns nonconformity scores from trusted, real data with those from synthetic data. By carefully integrating the score transporter into the calibration process, SPPI provably achieves finite-sample coverage guarantees without making any assumptions about the real and synthetic data distributions. When the score distributions are well aligned, SPPI yields substantially tighter and more informative prediction sets than standard conformal prediction. Experiments on image classification and tabular regression demonstrate notable improvements in predictive efficiency in data-scarce settings.
Semi-supervised learning (SSL) alleviates the cost of data labeling process by exploiting unlabeled data, and has achieved promising results on various tasks such as image classification. Meanwhile, the Pretrain-Finetuning paradigm has garnered significant attention in recent years, and exploiting pre-trained models could also reduce the requirement of labeled data in downstream tasks. Therefore, a question naturally occurs: \emph{When the labeled data is scarce in the target tasks, should we exploit unlabeled data or pre-trained models?} To answer this question, we select pre-trained Vision-Language Models (VLMs) as representative pretrain-finetuning instances and propose \textit{Few-shot SSL} -- a framework that enables fair comparison between these two paradigms by controlling the amount of labeled data used. Extensive experiments across various settings demonstrate that pre-trained VLMs generally outperform SSL methods in nearly all cases, except when the data has low resolution or lacks clear semantic structure. Therefore, we encourage future SSL research to compare with pre-trained models and explore deeper integration, such as using pre-trained knowledge to enhance pseudo-labeling. To support future research, we release our unified reproduction and evaluation framework. Codes are available \href{https://anonymous.4open.science/r/Rethinking-SSL-and-Pretrain-Finetuning-5566 }{here}.
Few-shot classification of hyperspectral images (HSI) faces the challenge of scarce labeled samples. Self-Supervised learning (SSL) and Few-Shot Learning (FSL) offer promising avenues to address this issue. However, existing methods often struggle to adapt to the spatial geometric diversity of HSIs and lack sufficient spectral prior knowledge. To tackle these challenges, we propose a method, Spectral-Spatial Self-Supervised Learning for Few-Shot Hyperspectral Image Classification (S4L-FSC), aimed at improving the performance of few-shot HSI classification. Specifically, we first leverage heterogeneous datasets to pretrain a spatial feature extractor using a designed Rotation-Mirror Self-Supervised Learning (RM-SSL) method, combined with FSL. This approach enables the model to learn the spatial geometric diversity of HSIs using rotation and mirroring labels as supervisory signals, while acquiring transferable spatial meta-knowledge through few-shot learning. Subsequently, homogeneous datasets are utilized to pretrain a spectral feature extractor via a combination of FSL and Masked Reconstruction Self-Supervised Learning (MR-SSL). The model learns to reconstruct original spectral information from randomly masked spectral vectors, inferring spectral dependencies. In parallel, FSL guides the model to extract pixel-level discriminative features, thereby embedding rich spectral priors into the model. This spectral-spatial pretraining method, along with the integration of knowledge from heterogeneous and homogeneous sources, significantly enhances model performance. Extensive experiments on four HSI datasets demonstrate the effectiveness and superiority of the proposed S4L-FSC approach for few-shot HSI classification.