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Applications · Health

Felix Wagner, Pramit Saha, Harry Anthony, Alison Noble, Konstantinos Kamnitsas

Safe deployment of machine learning (ML) models in safety-critical domains such as medical imaging requires detecting inputs with characteristics not seen during training, known as out-of-distribution (OOD) detection, to prevent unreliable predictions. Effective OOD detection after deployment could benefit from access to the training data, enabling direct comparison between test samples and the training data distribution to identify differences. State-of-the-art OOD detection methods, however, either discard the training data after deployment or assume that test samples and training data are centrally stored together, an assumption that rarely holds in real-world settings. This is because shipping the training data with the deployed model is usually impossible due to the size of training databases, as well as proprietary or privacy constraints. We introduce the Isolation Network, an OOD detection framework that quantifies the difficulty of separating a target test sample from the training data by solving a binary classification task. We then propose Decentralized Isolation Networks (DIsoN), which enables the comparison of training and test data when data-sharing is impossible, by exchanging only model parameters between the remote computational nodes of training and deployment. We further extend DIsoN with class-conditioning, comparing a target sample solely with training data of its predicted class. We evaluate DIsoN on four medical imaging datasets (dermatology, chest X-ray, breast ultrasound, histopathology) across 12 OOD detection tasks. DIsoN performs favorably against existing methods while respecting data-privacy. This decentralized OOD detection framework opens the way for a new type of service that ML developers could provide along with their models: providing remote, secure utilization of their training data for OOD detection services. Code available at: https://github.com/FelixWag/DIsoN

Applications · Physics

Guillaume Pourcel, Maxence Ernoult

Deep State Space Models (SSMs) reignite physics-grounded compute paradigms, as RNNs could natively be embodied into dynamical systems. This calls for dedicated learning algorithms obeying to core physical principles, with efficient techniques to simulate these systems and guide their design. We propose \emph{Recurrent Hamiltonian Echo Learning} (RHEL), an algorithm which provably computes loss gradients as finite differences of physical trajectories of non-dissipative, \emph{Hamiltonian systems}. In ML terms, RHEL only requires three ``forward passes'' irrespective of model size, without explicit Jacobian computation, nor incurring any variance in the gradient estimation. Motivated by the potential to implement our algorithm in non-digital physical systems, we first introduce RHEL in \emph{continuous time} and demonstrate its formal equivalence with the continuous adjoint state method. To facilitate the simulation of Hamiltonian systems trained by RHEL, we propose a \emph{discrete-time} version of RHEL which is equivalent to Backpropagation Through Time (BPTT) when applied to a class of recurrent modules which we call \emph{Hamiltonian Recurrent Units} (HRUs). This setting allows us to demonstrate the scalability of RHEL by generalizing these results to hierarchies of HRUs, which we call \emph{Hamiltonian SSMs} (HSSMs). We apply RHEL to train HSSMs with linear and nonlinear dynamics on a variety of time-series tasks ranging from mid-range to long-range classification and regression with sequence length reaching $\sim 50k$. We show that RHEL consistently matches the performance of BPTT across all models and tasks. This work opens new doors for the design of scalable, energy-efficient physical systems endowed with self-learning capabilities for sequence modelling.

Computer Vision · Classification and Understanding

Jiaqi Zhang, Juntuo Wang, Zhixin Sun, John Zou, Randall Balestriero

Large-scale vision foundation models such as DINOv2 boast impressive performances by leveraging massive architectures and training datasets. The expense of large-scale pre-training puts such research out of reach for many, hence limiting scientific advancements. We thus propose a novel pretraining strategy for DINOv2 that simultaneously accelerates convergence–and strengthens robustness to common corruptions as a by-product. Our approach involves a frequency filtering curriculum–low-frequency being seen first–and the Gaussian noise patching augmentation. Applied to a ViT-B/16 backbone trained on ImageNet-1K, while pre-training time is reduced by 1.6×–from 16.64 to 10.32 NVIDIA L40S days–and FLOPs by 2.25×, our method still achieves matching robustness in corruption benchmarks (ImageNet-C) and maintains competitive linear probing performance compared with the DINOv2 baseline. This dual benefit of efficiency and robustness makes large-scale self-supervised foundation modeling more attainable, while opening the door to novel exploration around data curriculum and augmentation as a means to improve self-supervised learning models robustness.

Computer Vision · Classification and Understanding

Tianchen Zhao, Xuanbai Chen, Zhihua Li, Jun Fang, DONGSHENG An, Xiang Xu, Zhuowen Tu, Yifan Xing

Recent generative data augmentation methods conditioned on both image and text prompts struggle to balance between fidelity and diversity, as it is challenging to preserve essential image details while aligning with varied text prompts. This challenge arises because representations in the synthesis process often become entangled with non-essential input image attributes such as environmental contexts, creating conflicts with text prompts intended to modify these elements. To address this, we propose a personalized image generation framework that uses a salient concept-aware image embedding model to reduce the influence of irrelevant visual details during the synthesis process, thereby maintaining intuitive alignment between image and text inputs. By generating images that better preserve class-discriminative features with additional controlled variations, our framework effectively enhances the diversity of training datasets and thereby improves the robustness of downstream models. Our approach demonstrates superior performance across eight fine-grained vision datasets, outperforming state-of-the-art augmentation methods with averaged classification accuracy improvements by 0.73\% and 6.5\% under conventional and long-tail settings, respectively.

Computer Vision · Classification and Understanding

Marc Lafon, Gustavo Vargas Hakim, Clément Rambour, Christian Desrosiers, Nicolas THOME

Vision-language models (VLMs) like CLIP exhibit strong zero-shot capabilities but often fail to generalize under distribution shifts. Test-time adaptation (TTA) allows models to update at inference time without labeled data, typically via entropy minimization. However, this objective is fundamentally misaligned with the contrastive image-text training of VLMs, limiting adaptation performance and introducing failure modes such as pseudo-label drift and class collapse. We propose CLIPTTA, a new gradient-based TTA method for vision-language models that leverages a soft contrastive loss aligned with CLIP’s pre-training objective. We provide a theoretical analysis of CLIPTTA’s gradients, showing how its batch-aware design mitigates the risk of collapse. We further extend CLIPTTA to the open-set setting, where both in-distribution (ID) and out-of-distribution (OOD) samples are encountered, using an Outlier Contrastive Exposure (OCE) loss to improve OOD detection. Evaluated on 75 datasets spanning diverse distribution shifts, CLIPTTA consistently outperforms entropy-based objectives and is highly competitive with state-of-the-art TTA methods, outperforming them on a large number of datasets and exhibiting more stable performance across diverse shifts.

Applications · Physics

Wahid Bhimji, Ragansu Chakkappai, Po-Wen Chang, Yuan-Tang Chou, Sascha Diefenbacher, Jordan Dudley, Ibrahim Elsharkawy, Steven Farrell, Aishik Ghosh, Cristina Giordano 等

The FAIR Universe – HiggsML Uncertainty Challenge focused on measuring the physical properties of elementary particles with imperfect simulators. Participants were required to compute and report confidence intervals for a parameter of interest regarding the Higgs boson while accounting for various systematic (epistemic) uncertainties. The dataset is a tabular dataset of 28 features and 280 million instances. Each instance represents a simulated proton-proton collision as observed at CERN’s Large Hadron Collider in Geneva, Switzerland. The features of these simulations were chosen to capture key characteristics of different types of particles. These include primary attributes, such as the energy and three-dimensional momentum of the particles, as well as derived attributes, which are calculated from the primary ones using domain-specific knowledge. Additionally, a label feature designates each instance’s type of proton-proton collision, distinguishing the Higgs boson events of interest from three background sources. As outlined in this paper, the permanent dataset release allows long-term benchmarking of new techniques. The leading submissions, including Contrastive Normalising Flows and Density Ratios estimation through classification, are described. Our challenge has brought together the physics and machine learning communities to advance our understanding and methodologies in handling systematic uncertainties within AI techniques.

Applications · Language, Speech and Dialog

Yongxin He, Shan Zhang, Yixuan Cao, Lei Ma, Ping Luo

Detecting AI-involved text is essential for combating misinformation, plagiarism, and academic misconduct. However, AI text generation includes diverse collaborative processes (AI-written text edited by humans, human-written text edited by AI, and AI-generated text refined by other AI), where various or even new LLMs could be involved. Texts generated through these varied processes exhibit complex characteristics, presenting significant challenges for detection. Current methods model these processes rather crudely, primarily employing binary classification (purely human vs. AI-involved) or multi-classification (treating human-AI collaboration as a new class). We observe that representations of texts generated through different processes exhibit inherent clustering relationships. Therefore, we propose DETree, a novel approach that models the relationships among different processes as a Hierarchical Affinity Tree structure, and introduces a specialized loss function that aligns text representations with this tree. To facilitate this learning, we developed RealBench, a comprehensive benchmark dataset that automatically incorporates a wide spectrum of hybrid texts produced through various human-AI collaboration processes. Our method improves performance in hybrid text detection tasks and significantly enhances robustness and generalization in out-of-distribution scenarios, particularly in few-shot learning conditions, further demonstrating the promise of training-based approaches in OOD settings. Our code and dataset are available at https://github.com/heyongxin233/DETree.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Xin Yao, Haiyang Zhao, Yimin Chen, Jiawei Guo, Kecheng Huang, Ming Zhao

The Contrastive Language-Image Pretraining (CLIP) model has significantly advanced vision-language modeling by aligning image-text pairs from large-scale web data through self-supervised contrastive learning. Yet, its reliance on uncurated Internet-sourced data exposes it to data poisoning and backdoor risks. While existing studies primarily investigate image-based attacks, the text modality, which is equally central to CLIP's training, remains underexplored. In this work, we introduce ToxicTextCLIP, a framework for generating high-quality adversarial texts that target CLIP during the pre-training phase. The framework addresses two key challenges: semantic misalignment caused by background inconsistency with the target class, and the scarcity of background-consistent texts. To this end, ToxicTextCLIP iteratively applies: 1) a background-aware selector that prioritizes texts with background content aligned to the target class, and 2) a background-driven augmenter that generates semantically coherent and diverse poisoned samples. Extensive experiments on classification and retrieval tasks show that ToxicTextCLIP achieves up to 95.83\% poisoning success and 98.68% backdoor Hit@1, while bypassing RoCLIP, CleanCLIP and SafeCLIP defenses. The source code can be accessed via https://github.com/xinyaocse/ToxicTextCLIP/.

Deep Learning · Graph Neural Networks

Snir Hordan, Maya Bechler-Speicher, Gur Lifshitz, Nadav Dym

Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among non-isomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors for positional encoding in MPNNs and Graph Transformers. The expressive power of such Spectrally-enhanced GNNs (SGNNs) is usually evaluated via the $k$-WL graph isomorphism test hierarchy and homomorphism counting. Yet, these frameworks align poorly with the graph spectra, yielding limited insight into SGNNs' expressive power. In this paper, we leverage a well-studied paradigm of classifying graphs by their largest eigenvalue multiplicity to introduce an expressivity hierarchy for SGNNs. We then prove that many SGNNs are incomplete even on graphs with distinct eigenvalues. To mitigate this deficiency, we adapt rotation equivariant neural networks to the graph spectra setting, yielding equiEPNN, a novel SGNN that provably improves upon contemporary SGNNs' expressivity on simple spectrum graphs. We then demonstrate that equiEPNN achieves perfect eigenvector canonicalization on ZINC, and performs favorably on image classification on MNIST-Superpixel and graph property regression on ZINC, compared to leading spectral methods.

Computer Vision · Classification and Understanding

Kuan Zhang, Chengliang Chai, Jingzhe Xu, Chi Zhang, Han Han, Ye Yuan, Guoren Wang, Lei Cao

Recent studies indicate that deep neural networks degrade in generalization performance under noisy supervision. Existing methods focus on isolating clean subsets or correcting noisy labels, facing limitations such as high computational costs, heavy hyperparameter tuning process, and coarse-grained optimization. To address these challenges, we propose a novel two-stage noisy learning framework that enables instance-level optimization through a dynamically weighted loss function, avoiding hyperparameter tuning. To obtain stable and accurate information about noise modeling, we introduce a simple yet effective metric, termed $\textit{wrong event}$, which dynamically models the cleanliness and difficulty of individual samples while maintaining computational costs. Our framework first collects $\textit{wrong event}$ information and builds a strong base model. Then we perform noise-robust training on the base model, using a probabilistic model to handle the $\textit{wrong event}$ information of samples. Experiments on six synthetic and real-world LNL benchmarks demonstrate our method surpasses state-of-the-art methods in performance, achieves a nearly 75\% reduction in storage and computational time, strongly improving model scalability. Our code is available at https://github.com/iTheresaApocalypse/IDO.

General Machine Learning · Representation Learning

Xiyuan Zhang, Danielle Maddix Robinson, Junming Yin, Nick Erickson, Abdul Fatir Ansari, Boran Han, Shuai Zhang, Leman Akoglu, Christos Faloutsos, Michael Mahoney 等

Since the seminal work of TabPFN, research on tabular foundation models (TFMs) based on in-context learning (ICL) has challenged long-standing paradigms in machine learning. Without seeing any real-world data, models pretrained on purely synthetic datasets generalize remarkably well across diverse datasets, often using only a moderate number of in-context examples. This shifts the focus in tabular machine learning from model architecture design to the design of synthetic datasets, or, more precisely, to the prior distributions that generate them. Yet the guiding principles for prior design remain poorly understood. This work marks the first attempt to address the gap. We systematically investigate and identify key properties of synthetic priors that allow pretrained TFMs to generalize well. Based on these insights, we introduce Mitra, a TFM trained on a curated mixture of synthetic priors selected for their diversity, distinctiveness, and performance on real-world tabular data. Mitra consistently outperforms state-of-the-art TFMs, such as TabPFNv2 and TabICL, across both classification and regression benchmarks, with better sample efficiency.

Probabilistic Methods

Meshi Bashari, Roy Maor Lotan, Yonghoon Lee, Edgar Dobriban, Yaniv Romano

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 (SPI), 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, SPI provably achieves finite-sample coverage guarantees without making any assumptions about the real and synthetic data distributions. When the score distributions are well aligned, SPI yields substantially tighter and more informative prediction sets than standard conformal prediction. Experiments on image classification---augmenting data with synthetic diffusion-model generated images---and on tabular regression demonstrate notable improvements in predictive efficiency in data-scarce settings.

Social Aspects · Accountability, Transparency and Interpretability

Lorenzo Basile, Valentino Maiorca, Diego Doimo, Francesco Locatello, Alberto Cazzaniga

Language and vision-language models have shown impressive performance across a wide range of tasks, but their internal mechanisms remain only partly understood. In this work, we study how individual attention heads in text-generative models specialize in specific semantic or visual attributes. Building on an established interpretability method, we reinterpret the practice of probing intermediate activations with the final decoding layer through the lens of signal processing. This lets us analyze multiple samples in a principled way and rank attention heads based on their relevance to target concepts. Our results show consistent patterns of specialization at the head level across both unimodal and multimodal transformers. Remarkably, we find that editing as few as 1% of the heads, selected using our method, can reliably suppress or enhance targeted concepts in the model output. We validate our approach on language tasks such as question answering and toxicity mitigation, as well as vision-language tasks including image classification and captioning. Our findings highlight an interpretable and controllable structure within attention layers, offering simple tools for understanding and editing large-scale generative models.

General Machine Learning · Representation Learning

Ziwen Wang, Jiajun Fan, Thao Nguyen, Heng Ji, Ge Liu

Contrastive learning has proven to be highly efficient and adaptable in shaping representation spaces across diverse modalities by pulling similar samples together and pushing dissimilar ones apart. However, two key limitations persist: (1) Without explicit regulation of the embedding distribution, semantically related instances can inadvertently be pushed apart unless complementary signals guide pair selection, and (2) excessive reliance on large in-batch negatives and tailored augmentations hinders generalization. To address these limitations, we propose Variational Supervised Contrastive Learning (VarCon), which reformulates supervised contrastive learning as variational inference over latent class variables and maximizes a posterior-weighted evidence lower bound (ELBO) that replaces exhaustive pair-wise comparisons for efficient class-aware matching and grants fine-grained control over intra-class dispersion in the embedding space. Trained exclusively on image data, our experiments on CIFAR-10, CIFAR-100, ImageNet-100, and ImageNet-1K show that VarCon (1) achieves state-of-the-art performance for contrastive learning frameworks, reaching 79.36% Top-1 accuracy on ImageNet-1K and 78.29% on CIFAR-100 with a ResNet-50 encoder while converging in just 200 epochs; (2) yields substantially clearer decision boundaries and semantic organization in the embedding space, as evidenced by KNN classification, hierarchical clustering results, and transfer-learning assessments; and (3) demonstrates superior performance in few-shot learning than supervised baseline and superior robustness across various augmentation strategies.

Computer Vision · Classification and Understanding

Yanghao Wang, Long Chen

Although today's pretrained discriminative vision-language models (e.g., CLIP) have demonstrated strong perception abilities, such as zero-shot image classification, they also suffer from the bag-of-words problem and spurious bias. To mitigate these problems, some pioneering studies leverage powerful generative models (e.g., pretrained diffusion models) to realize generalizable image classification, dubbed Diffusion Classifier (DC). Specifically, by randomly sampling a Gaussian noise, DC utilizes the differences of denoising effects with different category conditions to classify categories. Unfortunately, an inherent and notorious weakness of existing DCs is noise instability: different random sampled noises lead to significant performance changes. To achieve stable classification performance, existing DCs always ensemble the results of hundreds of sampled noises, which significantly reduces the classification speed. To this end, we firstly explore the role of noise in DC, and conclude that: there are some ``good noises'' that can relieve the instability. Meanwhile, we argue that these good noises should meet two principles: 1) Frequency Matching: noise should destroy the specific frequency signals; 2) Spatial Matching: noise should destroy the specific spatial areas. Regarding both principles, we propose a novel Noise Optimization method to learn matching (i.e., good) noise for DCs: NoOp. For frequency matching, NoOp first optimizes a dataset-specific noise: Given a dataset and a timestep $t$, optimize one randomly initialized parameterized noise. For Spatial Matching, NoOp trains a Meta-Network that adopts an image as input and outputs image-specific noise offset. The sum of optimized noise and noise offset will be used in DC to replace random noise. Extensive ablations on various datasets demonstrated the effectiveness of NoOp. It is worth noting that our noise optimization is orthogonal to existing optimization methods (e.g., prompt tuning), our NoOP can even benefit from these methods to further boost performance.

Theory · Learning Theory

Dravyansh Sharma, Alec Sun

Machine learning is now ubiquitous in societal decision-making, for example in evaluating job candidates or loan applications, and it is increasingly important to take into account how classified agents will react to the learning algorithms. The majority of recent literature on strategic classification has focused on reducing and countering deceptive behaviors by the classified agents, but recent work of Attias et al. identifies surprising properties of learnability when the agents genuinely improve in order to attain the desirable classification, such as smaller generalization error than standard PAC-learning. In this paper we characterize so-called learnability with improvements across multiple new axes. We introduce an asymmetric variant of minimally consistent concept classes and use it to provide an exact characterization of proper learning with improvements in the realizable setting. While prior work studies learnability only under general, arbitrary agent improvement regions, we give positive results for more natural Euclidean ball improvement sets. In particular, we characterize improper learning under a generative assumption on the data distribution. We further show how to learn in more challenging settings, achieving lower generalization error under well-studied bounded noise models and obtaining mistake bounds in realizable and agnostic online learning. We resolve open questions posed by Attias et al. for both proper and improper learning.

Computer Vision · Classification and Understanding

Simone Azeglio, Olivier Marre, Peter Neri, Ulisse Ferrari

We propose a novel enhancement to Convolutional Neural Networks (CNNs) by incorporating learnable higher-order convolutions inspired by nonlinear biological visual processing. Our model extends the classical convolution operator using a Volterra-like expansion to capture multiplicative interactions observed in biological vision. Through extensive evaluation on standard benchmarks and synthetic datasets, we demonstrate that our architecture consistently outperforms traditional CNN baselines, achieving optimal performance with 3rd/4th order expansions. Systematic perturbation analysis and Representational Similarity Analysis reveal that different orders of convolution process distinct aspects of visual information, aligning with the statistical properties of natural images. This biologically-inspired approach offers both improved performance and deeper insights into visual information processing.

Theory · Learning Theory

Liming Wang, Muhammad Jehanzeb Mirza, Yishu Gong, Yuan Gong, Jiaqi Zhang, Brian Tracey, Katerina Placek, Marco Vilela, Jim Glass

This paper presents a novel theoretical framework for understanding how diffusion models can learn disentangled representations with commonly used weak supervision such as partial labels and multiple views. Within this framework, we establish identifiability conditions for diffusion models to disentangle latent variable models with \emph{stochastic}, \emph{non-invertible} mixing processes. We also prove \emph{finite-sample global convergence} for diffusion models to disentangle independent subspace models. To validate our theory, we conduct extensive disentanglement experiments on subspace recovery in latent subspace Gaussian mixture models, image colorization, denoising, and voice conversion for speech classification. Our experiments show that training strategies inspired by our theory, such as style guidance regularization, consistently enhance disentanglement performance.

Applications · Neuroscience, Cognitive Science

Zixiang Yin, Jiarui Li, Zhengming Ding

Decoding visual signals holds an appealing potential to unravel the complexities of cognition and perception. While recent reconstruction tasks leverage powerful generative models to produce high-fidelity images from neural recordings, they often pay limited attention to the underlying neural representations and rely heavily on pretrained priors. As a result, they provide little insight into how individual voxels encode and differentiate semantic content or how these representations vary across subjects. To mitigate this gap, we present an $i$nsightful **M**ulti-subject **I**nvariant **N**eural **D**ecoding ($i$MIND) model, which employs a novel dual-decoding framework--both biometric and semantic decoding--to offer neural interpretability in a data-driven manner and deepen our understanding of brain-based visual functionalities. Our $i$MIND model operates through three core steps: establishing a shared neural representation space across subjects using a ViT-based masked autoencoder, disentangling neural features into complementary subject-specific and object-specific components, and performing dual decoding to support both biometric and semantic classification tasks. Experimental results demonstrate that $i$MIND achieves state-of-the-art decoding performance with minimal scalability limitations. Furthermore, $i$MIND empirically generates voxel-object activation fingerprints that reveal object-specific neural patterns and enable investigation of subject-specific variations in attention to identical stimuli. These findings provide a foundation for more interpretable and generalizable subject-invariant neural decoding, advancing our understanding of the voxel semantic selectivity as well as the neural vision processing dynamics.

Computer Vision · Classification and Understanding

Masih Aminbeidokhti, Subhankar Roy, Eric Granger, Elisa Ricci, Marco Pedersoli

Real-world datasets typically exhibit long-tailed (LT) distributions, where a few head classes dominate and many tail classes are severely underrepresented. While recent work shows that parameter-efficient fine-tuning (PEFT) methods like LoRA and AdaptFormer preserve tail-class performance on foundation models such as CLIP, we find that they do so at the cost of head-class accuracy. We identify the head-tail ratio, the proportion of head to tail classes, as a crucial but overlooked factor influencing this trade-off. Through controlled experiments on CIFAR100 with varying imbalance ratio ($\rho$) and head-tail ratio ($\eta$), we show that PEFT excels in tail-heavy scenarios but degrades in more balanced and head-heavy distributions. To overcome these limitations, we propose LT-Soups, a two-stage model soups framework designed to generalize across diverse LT regimes. In the first stage, LT-Soups averages models fine-tuned on balanced subsets to reduce head-class bias; in the second, it fine-tunes only the classifier on the full dataset to restore head-class accuracy. Experiments across six benchmark datasets show that LT-Soups achieves superior trade-offs compared to both PEFT and traditional model soups across a wide range of imbalance regimes.