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Oct 26

Unlasting: Unpaired Single-Cell Multi-Perturbation Estimation by Dual Conditional Diffusion Implicit Bridges

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process, making it impossible to capture the same cell's phenotype before and after perturbation. Consequently, data collected under perturbed and unperturbed conditions are inherently unpaired. Existing methods either attempt to forcibly pair unpaired data using random sampling, or neglect the inherent relationship between unperturbed and perturbed cells during the modeling. In this work, we propose a framework based on Dual Diffusion Implicit Bridges (DDIB) to learn the mapping between different data distributions, effectively addressing the challenge of unpaired data. We further interpret this framework as a form of data augmentation. We integrate gene regulatory network (GRN) information to propagate perturbation signals in a biologically meaningful way, and further incorporate a masking mechanism to predict silent genes, improving the quality of generated profiles. Moreover, gene expression under the same perturbation often varies significantly across cells, frequently exhibiting a bimodal distribution that reflects intrinsic heterogeneity. To capture this, we introduce a more suitable evaluation metric. We propose Unlasting, dual conditional diffusion models that overcome the problem of unpaired single-cell perturbation data and strengthen the model's insight into perturbations under the guidance of the GRN, with a dedicated mask model designed to improve generation quality by predicting silent genes. In addition, we introduce a biologically grounded evaluation metric that better reflects the inherent heterogeneity in single-cell responses.

  • 8 authors
·
Jun 26, 2025

VQ-Seg: Vector-Quantized Token Perturbation for Semi-Supervised Medical Image Segmentation

Consistency learning with feature perturbation is a widely used strategy in semi-supervised medical image segmentation. However, many existing perturbation methods rely on dropout, and thus require a careful manual tuning of the dropout rate, which is a sensitive hyperparameter and often difficult to optimize and may lead to suboptimal regularization. To overcome this limitation, we propose VQ-Seg, the first approach to employ vector quantization (VQ) to discretize the feature space and introduce a novel and controllable Quantized Perturbation Module (QPM) that replaces dropout. Our QPM perturbs discrete representations by shuffling the spatial locations of codebook indices, enabling effective and controllable regularization. To mitigate potential information loss caused by quantization, we design a dual-branch architecture where the post-quantization feature space is shared by both image reconstruction and segmentation tasks. Moreover, we introduce a Post-VQ Feature Adapter (PFA) to incorporate guidance from a foundation model (FM), supplementing the high-level semantic information lost during quantization. Furthermore, we collect a large-scale Lung Cancer (LC) dataset comprising 828 CT scans annotated for central-type lung carcinoma. Extensive experiments on the LC dataset and other public benchmarks demonstrate the effectiveness of our method, which outperforms state-of-the-art approaches. Code available at: https://github.com/script-Yang/VQ-Seg.

  • 3 authors
·
Jan 15 2

CloneOT: predicting clone-specific perturbation responses with lineage-supervised neural inverse optimal transport

Predicting single-cell perturbation responses requires mapping between two unpaired populations of cells measured before and after the perturbation. Optimal transport (OT) provides a principled framework for constructing such mappings by minimizing the transport cost, and neural OT methods (e.g., CellOT) have been employed for this prediction task. However, these methods rely on a fixed transport cost, typically the squared Euclidean distance. This cost may connect cells with the wrong responses. Lineage tracing provides the information needed to learn the cost, as heritable barcodes link the cells of the same clone before and after the perturbation. Here, we propose \CloneOT, a neural inverse OT method that learns both the transport cost and the transport map from partially lineage-traced single-cell datasets. \CloneOT\ represents the cost as a neural network. It learns the cost by minimizing the extra cost that the lineage adds to the optimal transport, so that the cheapest transport keeps the cells of each clone together. Our experiments demonstrate that \CloneOT\ recovers the correct transport on 2D datasets, while the squared Euclidean cost fails. Moreover, \CloneOT\ outperforms five baselines on 14 lineage-tracing perturbation scenarios of cancer cells, for both seen and unseen clones. Furthermore, we show that \CloneOT\ reveals the clone-specific transcriptional programs of drug-tolerant persister cells and forecasts the fate of each clone from its cells before treatment. Our implementation is available at https://github.com/poseidonchan/CloneOT.

  • 3 authors
·
Oct 11

DetectLLM: Leveraging Log Rank Information for Zero-Shot Detection of Machine-Generated Text

With the rapid progress of large language models (LLMs) and the huge amount of text they generated, it becomes more and more impractical to manually distinguish whether a text is machine-generated. Given the growing use of LLMs in social media and education, it prompts us to develop methods to detect machine-generated text, preventing malicious usage such as plagiarism, misinformation, and propaganda. Previous work has studied several zero-shot methods, which require no training data. These methods achieve good performance, but there is still a lot of room for improvement. In this paper, we introduce two novel zero-shot methods for detecting machine-generated text by leveraging the log rank information. One is called DetectLLM-LRR, which is fast and efficient, and the other is called DetectLLM-NPR, which is more accurate, but slower due to the need for perturbations. Our experiments on three datasets and seven language models show that our proposed methods improve over the state of the art by 3.9 and 1.75 AUROC points absolute. Moreover, DetectLLM-NPR needs fewer perturbations than previous work to achieve the same level of performance, which makes it more practical for real-world use. We also investigate the efficiency--performance trade-off based on users preference on these two measures and we provide intuition for using them in practice effectively. We release the data and the code of both methods in https://github.com/mbzuai-nlp/DetectLLM

  • 4 authors
·
May 23, 2023

Reconstruction of Geometric and Structural Aspects of Undeciphered Messages by Information-theoretic Methods

In previous work, we established sufficient conditions for recovering geometry and topology from non-random information, demonstrating reconstruction with the Arecibo message. Undeciphered historical records present a related problem: one-way communication without access to their makers' intentions or encoding conventions. Here we extend this framework to the Phaistos Disc, Andean khipu, Rongorongo, Indus inscriptions and the Voynich manuscript, using Egyptian layouts and Arecibo as controls. Algorithmic information dynamics (AID) guides structural perturbations, combining classical information measures, predictive coding, compression and algorithmic-probability-based estimates. Phaistos retains 0.714 bits of excess adjacent-sign mutual information after positional controls; its authentic segmentation lies within a broad information basin, and cross-face boundary prediction achieves AUCs of 0.76 and 0.86. Repetition explains its principal recurrence, while the tested spiral embeddings provide no evidence of additional cross-winding structure. Across several corpora, comparative transfer persists beyond exact shared local pairs. Khipu knot forms distinguish authentic attachments after controlling for degree, depth, fibre and twist (adjusted p=0.009); constrained assignment recovers 8.75\% of concealed parents against 7.87\% expected by chance. Row-alignment tests yield no comparable evidence after correction. Calibrated BDM recovers Arecibo's 23-column width (search-corrected p=0.005), while executable controls detect spatial dependence and eliminate it through interventions on the generator. These findings connect information-based structural reconstruction with interventional reasoning, distinguishing recoverable organisation from semantic decipherment.

  • 2 authors
·
Oct 4

APLA: Additional Perturbation for Latent Noise with Adversarial Training Enables Consistency

Diffusion models have exhibited promising progress in video generation. However, they often struggle to retain consistent details within local regions across frames. One underlying cause is that traditional diffusion models approximate Gaussian noise distribution by utilizing predictive noise, without fully accounting for the impact of inherent information within the input itself. Additionally, these models emphasize the distinction between predictions and references, neglecting information intrinsic to the videos. To address this limitation, inspired by the self-attention mechanism, we propose a novel text-to-video (T2V) generation network structure based on diffusion models, dubbed Additional Perturbation for Latent noise with Adversarial training (APLA). Our approach only necessitates a single video as input and builds upon pre-trained stable diffusion networks. Notably, we introduce an additional compact network, known as the Video Generation Transformer (VGT). This auxiliary component is designed to extract perturbations from the inherent information contained within the input, thereby refining inconsistent pixels during temporal predictions. We leverage a hybrid architecture of transformers and convolutions to compensate for temporal intricacies, enhancing consistency between different frames within the video. Experiments demonstrate a noticeable improvement in the consistency of the generated videos both qualitatively and quantitatively.

  • 5 authors
·
Aug 24, 2023

OCOO-T : A Simple and Scalable Virtual Cell Model for Transcriptional Perturbation Response Prediction

Predicting single-cell transcriptional responses to genetic, chemical and cytokine perturbations is a fundamental challenge in computational biology and AI Virtual Cell (AIVC) modeling, with direct implications for drug discovery and the elucidation of gene regulatory networks. Existing approaches often rely on auxiliary cell-state encoders, hierarchical variational autoencoders, dedicated Transformer encoder-decoder modules, or gene-interaction priors to compress high-dimensional expression profiles into latent representations. While effective, these designs increase architectural complexity and may limit scalability and generalizability. This paper introduces OCOO-T, a minimalist flow-matching-based AIVC model for transcriptional perturbation response prediction. OCOO-T utilizes a vanilla Transformer stack that operates directly on continuous gene expression profiles and formulates perturbation response prediction as a continuous-time denoising process. Perturbation embeddings, dosage information, and cell-line/cell-type specificity are integrated through adaptive layer normalization and in-context tokens. Comprehensive evaluations on Tahoe100M, Replogle, and PBMC benchmarks demonstrate that OCOO-T achieves state-of-the-art performance across diverse perturbations and cell types while effectively scaling to long transcriptional profiles through patching and depatching of cellular contexts. By leveraging the simplicity of Transformer-based denoising for single-cell omics, OCOO-T provides an effective and scalable framework for in-silico cellular simulation.

  • 6 authors
·
Aug 13

Learning Perturbation-Specific Representations through Conditional Energy Prior for Cellular Response Prediction

AI-based cellular perturbation prediction is essential to accelerate drug discovery and therapeutic identification. However, perturbation-specific signals are generally obscured by cellular complexity, making it difficult for existing methods to correctly capture perturbation effects. To address this problem, we propose PerturbEnergy, which introduces a conditional energy-based prior over perturbation representations. It assigns lower energy (higher probability) to representations compatible with the given perturbation and higher energy to others, thereby explicitly tilting the latent space toward perturbation-preferred regions. Besides, PerturbEnergy can be integrated into autoencoder architectures as we find its Evidence Lower Bound (ELBO) is equivalent to the ELBO of the complete autoencoder. We further prove that optimizing PerturbEnergy increases the lower bound on the conditional mutual information between representation and perturbation. Extensive experiments on four benchmark datasets demonstrate the effectiveness of our PerturbEnergy: it improves perturbation recognition especially in latent space with improvement of up to 83.2\%; It also achieves state-of-the-art performance for predicting top-50/100/200 differentially expressed gene(DEG) response and remaining competitive on highly variable gene(HVG) prediction. The code is provided: https://github.com/BlueWhaleLab/PerturbEnergy

  • 2 authors
·
Oct 12

Uncertainty-guided Perturbation for Image Super-Resolution Diffusion Model

Diffusion-based image super-resolution methods have demonstrated significant advantages over GAN-based approaches, particularly in terms of perceptual quality. Building upon a lengthy Markov chain, diffusion-based methods possess remarkable modeling capacity, enabling them to achieve outstanding performance in real-world scenarios. Unlike previous methods that focus on modifying the noise schedule or sampling process to enhance performance, our approach emphasizes the improved utilization of LR information. We find that different regions of the LR image can be viewed as corresponding to different timesteps in a diffusion process, where flat areas are closer to the target HR distribution but edge and texture regions are farther away. In these flat areas, applying a slight noise is more advantageous for the reconstruction. We associate this characteristic with uncertainty and propose to apply uncertainty estimate to guide region-specific noise level control, a technique we refer to as Uncertainty-guided Noise Weighting. Pixels with lower uncertainty (i.e., flat regions) receive reduced noise to preserve more LR information, therefore improving performance. Furthermore, we modify the network architecture of previous methods to develop our Uncertainty-guided Perturbation Super-Resolution (UPSR) model. Extensive experimental results demonstrate that, despite reduced model size and training overhead, the proposed UWSR method outperforms current state-of-the-art methods across various datasets, both quantitatively and qualitatively.

  • 4 authors
·
Mar 24, 2025

Frequency-Guided Diffusion Model with Perturbation Training for Skeleton-Based Video Anomaly Detection

Video anomaly detection (VAD) is a vital yet complex open-set task in computer vision, commonly tackled through reconstruction-based methods. However, these methods struggle with two key limitations: (1) insufficient robustness in open-set scenarios, where unseen normal motions are frequently misclassified as anomalies, and (2) an overemphasis on, but restricted capacity for, local motion reconstruction, which are inherently difficult to capture accurately due to their diversity. To overcome these challenges, we introduce a novel frequency-guided diffusion model with perturbation training. First, we enhance robustness by training a generator to produce perturbed samples, which are similar to normal samples and target the weakness of the reconstruction model. This training paradigm expands the reconstruction domain of the model, improving its generalization to unseen normal motions. Second, to address the overemphasis on motion details, we employ the 2D Discrete Cosine Transform (DCT) to separate high-frequency (local) and low-frequency (global) motion components. By guiding the diffusion model with observed high-frequency information, we prioritize the reconstruction of low-frequency components, enabling more accurate and robust anomaly detection. Extensive experiments on five widely used VAD datasets demonstrate that our approach surpasses state-of-the-art methods, underscoring its effectiveness in open-set scenarios and diverse motion contexts. Our project website is https://xiaofeng-tan.github.io/projects/FG-Diff/index.html.

  • 4 authors
·
Dec 4, 2024

Beyond the Transcriptome: Chromatin-Informed Prediction of Cell-State-Dependent Perturbation Responses

Predicting transcriptional responses to genetic perturbations is central to understanding gene function. Existing predictors primarily rely on transcriptomic measurements, although chromatin accessibility provides complementary information about the cellular context in which perturbations act. Using this information requires linking chromatin context to specific perturbations and accounting for baseline differences between independently sampled control and perturbed populations. We propose ChromaPert, a chromatin-informed framework for predicting state-dependent perturbation responses. ChromaPert combines molecular and DNA-informed locus priors with paired control RNA--ATAC features to jointly represent target identity and measured cellular context. Its Chromatin-Guided Response Router (CGRR) builds a source bank of control-derived expression offsets and retrieves relevant sources using perturbation/locus or control-ATAC similarity. These offsets account for baseline differences, while conditional transport flow learns the remaining response. Across three unseen-target and held-out-state settings on K562 CAT-ATAC and Perturb-Multiome, ChromaPert achieves the highest all-gene response correlation among evaluated methods. When transferring known perturbations to held-out states, it improves correlation by 23.2% across all genes and 46.2% for the twenty most responsive genes over the strongest respective baselines. Correct RNA--ATAC pairing improves recovery of chromatin-associated response slopes over shuffled pairing, while cross-state predictions retain state-specific responses to the same perturbation.

  • 6 authors
·
Oct 5

Detecting Adversarial Data by Probing Multiple Perturbations Using Expected Perturbation Score

Adversarial detection aims to determine whether a given sample is an adversarial one based on the discrepancy between natural and adversarial distributions. Unfortunately, estimating or comparing two data distributions is extremely difficult, especially in high-dimension spaces. Recently, the gradient of log probability density (a.k.a., score) w.r.t. the sample is used as an alternative statistic to compute. However, we find that the score is sensitive in identifying adversarial samples due to insufficient information with one sample only. In this paper, we propose a new statistic called expected perturbation score (EPS), which is essentially the expected score of a sample after various perturbations. Specifically, to obtain adequate information regarding one sample, we perturb it by adding various noises to capture its multi-view observations. We theoretically prove that EPS is a proper statistic to compute the discrepancy between two samples under mild conditions. In practice, we can use a pre-trained diffusion model to estimate EPS for each sample. Last, we propose an EPS-based adversarial detection (EPS-AD) method, in which we develop EPS-based maximum mean discrepancy (MMD) as a metric to measure the discrepancy between the test sample and natural samples. We also prove that the EPS-based MMD between natural and adversarial samples is larger than that among natural samples. Extensive experiments show the superior adversarial detection performance of our EPS-AD.

  • 7 authors
·
May 25, 2023

One Perturbation is Enough: On Generating Universal Adversarial Perturbations against Vision-Language Pre-training Models

Vision-Language Pre-training (VLP) models have exhibited unprecedented capability in many applications by taking full advantage of the multimodal alignment. However, previous studies have shown they are vulnerable to maliciously crafted adversarial samples. Despite recent success, these methods are generally instance-specific and require generating perturbations for each input sample. In this paper, we reveal that VLP models are also vulnerable to the instance-agnostic universal adversarial perturbation (UAP). Specifically, we design a novel Contrastive-training Perturbation Generator with Cross-modal conditions (C-PGC) to achieve the attack. In light that the pivotal multimodal alignment is achieved through the advanced contrastive learning technique, we devise to turn this powerful weapon against themselves, i.e., employ a malicious version of contrastive learning to train the C-PGC based on our carefully crafted positive and negative image-text pairs for essentially destroying the alignment relationship learned by VLP models. Besides, C-PGC fully utilizes the characteristics of Vision-and-Language (V+L) scenarios by incorporating both unimodal and cross-modal information as effective guidance. Extensive experiments show that C-PGC successfully forces adversarial samples to move away from their original area in the VLP model's feature space, thus essentially enhancing attacks across various victim models and V+L tasks. The GitHub repository is available at https://github.com/ffhibnese/CPGC_VLP_Universal_Attacks.

  • 8 authors
·
Jun 8, 2024

PICA-WAM: Visual Perturbation Invariance via Cross-Appearance Self-Alignment in World Action Models

World Action Models (WAMs) jointly predict future video and generate actions, yet remain sensitive to task-irrelevant visual perturbations, i.e., changes in visual appearance that should not affect robot behavior. We identify a gap in conventional WAM training: video prediction encourages representations to preserve appearance information, while action generation does not explicitly enforce invariance to task-irrelevant appearance. Data augmentation exposes WAMs to such perturbations but does not require perturbed and nominal observations to produce consistent action representations, and alignment with external pretrained features does not guarantee the desired invariance. To address this gap, we propose PICA-WAM, a self-supervised training framework that casts perturbation invariance as an auxiliary cross-appearance self-alignment task for WAMs. An exponential-moving-average (EMA) teacher processes the nominal observation to provide a deeper-layer target, while the online WAM processes a perturbed observation and aligns its shallower-layer action representation to this target through a lightweight projection head. Across four strong WAMs evaluated on RoboTwin 2.0, LIBERO-Plus, EBench, and a real robot, PICA-WAM consistently improves robustness under visual perturbations, preserves nominal performance in simulation, and raises the real robot success rate. PICA-WAM further reduces the sensitivity of video features to task-irrelevant appearance and its propagation into actions, as shown by paired layer-wise diagnostics. Code: https://github.com/YudeZou/PICA-WAM-release

  • 6 authors
·
Oct 18

Trace-Level Analysis of Information Contamination in Multi-Agent Systems

Reasoning over heterogeneous artifacts (PDFs, spreadsheets, slide decks, etc.) increasingly occurs within structured agent workflows that iteratively extract, transform, and reference external information. In these workflows, uncertainty is not merely an input-quality issue: it can redirect decomposition and routing decisions, reshape intermediate state, and produce qualitatively different execution trajectories. We study this phenomenon by treating uncertainty as a controlled variable: we inject structured perturbations into artifact-derived representations, execute fixed workflows under comprehensive logging, and quantify contamination via trace divergence in plans, tool invocations, and intermediate state. Across 614 paired runs on 32 GAIA tasks with three different language models, we find a decoupling: workflows may diverge substantially yet recover correct answers, or remain structurally similar while producing incorrect outputs. We characterize three manifestation types: silent semantic corruption, behavioral detours with recovery, and combined structural disruption and their control-flow signatures (rerouting, extended execution, early termination). We measure operational costs and characterize why commonly used verification guardrails fail to intercept contamination. We contribute (i) a formal taxonomy of contamination manifestations in structured workflows, (ii) a trace-based measurement framework for detecting and localizing contamination across agent interactions, and (iii) empirical evidence with implications for targeted verification, defensive design, and cost control.

  • 3 authors
·
Apr 29

Can Adversarial Examples Be Parsed to Reveal Victim Model Information?

Numerous adversarial attack methods have been developed to generate imperceptible image perturbations that can cause erroneous predictions of state-of-the-art machine learning (ML) models, in particular, deep neural networks (DNNs). Despite intense research on adversarial attacks, little effort was made to uncover 'arcana' carried in adversarial attacks. In this work, we ask whether it is possible to infer data-agnostic victim model (VM) information (i.e., characteristics of the ML model or DNN used to generate adversarial attacks) from data-specific adversarial instances. We call this 'model parsing of adversarial attacks' - a task to uncover 'arcana' in terms of the concealed VM information in attacks. We approach model parsing via supervised learning, which correctly assigns classes of VM's model attributes (in terms of architecture type, kernel size, activation function, and weight sparsity) to an attack instance generated from this VM. We collect a dataset of adversarial attacks across 7 attack types generated from 135 victim models (configured by 5 architecture types, 3 kernel size setups, 3 activation function types, and 3 weight sparsity ratios). We show that a simple, supervised model parsing network (MPN) is able to infer VM attributes from unseen adversarial attacks if their attack settings are consistent with the training setting (i.e., in-distribution generalization assessment). We also provide extensive experiments to justify the feasibility of VM parsing from adversarial attacks, and the influence of training and evaluation factors in the parsing performance (e.g., generalization challenge raised in out-of-distribution evaluation). We further demonstrate how the proposed MPN can be used to uncover the source VM attributes from transfer attacks, and shed light on a potential connection between model parsing and attack transferability.

  • 7 authors
·
Mar 13, 2023

MIGA: Mutual Information-Guided Attack on Denoising Models for Semantic Manipulation

Deep learning-based denoising models have been widely employed in vision tasks, functioning as filters to eliminate noise while retaining crucial semantic information. Additionally, they play a vital role in defending against adversarial perturbations that threaten downstream tasks. However, these models can be intrinsically susceptible to adversarial attacks due to their dependence on specific noise assumptions. Existing attacks on denoising models mainly aim at deteriorating visual clarity while neglecting semantic manipulation, rendering them either easily detectable or limited in effectiveness. In this paper, we propose Mutual Information-Guided Attack (MIGA), the first method designed to directly attack deep denoising models by strategically disrupting their ability to preserve semantic content via adversarial perturbations. By minimizing the mutual information between the original and denoised images, a measure of semantic similarity. MIGA forces the denoiser to produce perceptually clean yet semantically altered outputs. While these images appear visually plausible, they encode systematically distorted semantics, revealing a fundamental vulnerability in denoising models. These distortions persist in denoised outputs and can be quantitatively assessed through downstream task performance. We propose new evaluation metrics and systematically assess MIGA on four denoising models across five datasets, demonstrating its consistent effectiveness in disrupting semantic fidelity. Our findings suggest that denoising models are not always robust and can introduce security risks in real-world applications.

  • 7 authors
·
Mar 10, 2025

AROMA: Augmented Reasoning Over a Multimodal Architecture for Virtual Cell Genetic Perturbation Modeling

Virtual cell modeling predicts molecular state changes under genetic perturbations in silico, which is essential for biological mechanism studies. However, existing approaches suffer from unconstrained reasoning, uninterpretable predictions, and retrieval signals that are weakly aligned with regulatory topology. To address these limitations, we propose AROMA, an Augmented Reasoning Over a Multimodal Architecture for virtual cell genetic perturbation modeling. AROMA integrates textual evidence, graph-topology information, and protein sequence features to model perturbation-target dependencies, and is trained with a two-stage optimization strategy to yield predictions that are both accurate and interpretable. We also construct two knowledge graphs and a perturbation reasoning dataset, PerturbReason, containing more than 498k samples, as reusable resources for the virtual cell domain. Experiments show that AROMA outperforms existing methods across multiple cell lines, and remains robust under zero-shot evaluation on an unseen cell line, as well as in knowledge-sparse, long-tail scenarios. Overall, AROMA demonstrates that combining knowledge-driven multimodal modeling with evidence retrieval provides a promising pathway toward more reliable and interpretable virtual cell perturbation prediction. Model weights are available at https://huggingface.co/blazerye/AROMA. Code is available at https://github.com/blazerye/AROMA.

  • 4 authors
·
Apr 21

Equal Path Cost, Unequal Output Effects: Understanding Perturbation Propagation in Diffusion Models

Diffusion models have achieved remarkable success in generative modeling, with their sampling procedures routinely modified to control generation and improve efficiency. These modifications introduce perturbations along the sampling trajectory, raising a central question: how do such perturbations affect generated output? To address this question, we develop a theoretical framework to investigate perturbation propagation, combining dynamical analysis of the sampling process with an information-theoretic characterization of output responses. Within this framework, we quantify perturbation strength using the Kullback--Leibler (KL) divergence between perturbed and reference trajectory distributions, termed as path cost, which is shown to bound, but do not determine, changes in the output distribution. Building on this analysis, we derive a response identity that connects the propagation and accumulation of local perturbations with the information captured by a selected feature mean, explaining why changes in the output distribution can remain undetected by its first-order response. We test our theoretical analysis through controlled interventions at equal path cost in pretrained diffusion models, revealing distinct patterns of output sensitivity across sampling stages and spatial frequencies. To assess whether our framework can diagnose perturbations arising from practical approximations, we apply it to cache-based acceleration and show that our propagation analysis reliably identifies sampling intervals where caching causes larger image errors.

  • 4 authors
·
Oct 7

RAMP: Boosting Adversarial Robustness Against Multiple $l_p$ Perturbations for Universal Robustness

Most existing works focus on improving robustness against adversarial attacks bounded by a single l_p norm using adversarial training (AT). However, these AT models' multiple-norm robustness (union accuracy) is still low, which is crucial since in the real-world an adversary is not necessarily bounded by a single norm. The tradeoffs among robustness against multiple l_p perturbations and accuracy/robustness make obtaining good union and clean accuracy challenging. We design a logit pairing loss to improve the union accuracy by analyzing the tradeoffs from the lens of distribution shifts. We connect natural training (NT) with AT via gradient projection, to incorporate useful information from NT into AT, where we empirically and theoretically show it moderates the accuracy/robustness tradeoff. We propose a novel training framework RAMP, to boost the robustness against multiple l_p perturbations. RAMP can be easily adapted for robust fine-tuning and full AT. For robust fine-tuning, RAMP obtains a union accuracy up to 53.3% on CIFAR-10, and 29.1% on ImageNet. For training from scratch, RAMP achieves a union accuracy of 44.6% and good clean accuracy of 81.2% on ResNet-18 against AutoAttack on CIFAR-10. Beyond multi-norm robustness RAMP-trained models achieve superior universal robustness, effectively generalizing against a range of unseen adversaries and natural corruptions.

MENTOR: Mixture-of-Experts Network with Task-Oriented Perturbation for Visual Reinforcement Learning

Visual deep reinforcement learning (RL) enables robots to acquire skills from visual input for unstructured tasks. However, current algorithms suffer from low sample efficiency, limiting their practical applicability. In this work, we present MENTOR, a method that improves both the architecture and optimization of RL agents. Specifically, MENTOR replaces the standard multi-layer perceptron (MLP) with a mixture-of-experts (MoE) backbone, enhancing the agent's ability to handle complex tasks by leveraging modular expert learning to avoid gradient conflicts. Furthermore, MENTOR introduces a task-oriented perturbation mechanism, which heuristically samples perturbation candidates containing task-relevant information, leading to more targeted and effective optimization. MENTOR outperforms state-of-the-art methods across three simulation domains -- DeepMind Control Suite, Meta-World, and Adroit. Additionally, MENTOR achieves an average of 83% success rate on three challenging real-world robotic manipulation tasks including peg insertion, cable routing, and tabletop golf, which significantly surpasses the success rate of 32% from the current strongest model-free visual RL algorithm. These results underscore the importance of sample efficiency in advancing visual RL for real-world robotics. Experimental videos are available at https://suninghuang19.github.io/mentor_page.

  • 9 authors
·
Oct 19, 2024

SPSA-FSR: Simultaneous Perturbation Stochastic Approximation for Feature Selection and Ranking

This manuscript presents the following: (1) an improved version of the Binary Simultaneous Perturbation Stochastic Approximation (SPSA) Method for feature selection in machine learning (Aksakalli and Malekipirbazari, Pattern Recognition Letters, Vol. 75, 2016) based on non-monotone iteration gains computed via the Barzilai and Borwein (BB) method, (2) its adaptation for feature ranking, and (3) comparison against popular methods on public benchmark datasets. The improved method, which we call SPSA-FSR, dramatically reduces the number of iterations required for convergence without impacting solution quality. SPSA-FSR can be used for feature ranking and feature selection both for classification and regression problems. After a review of the current state-of-the-art, we discuss our improvements in detail and present three sets of computational experiments: (1) comparison of SPSA-FS as a (wrapper) feature selection method against sequential methods as well as genetic algorithms, (2) comparison of SPSA-FS as a feature ranking method in a classification setting against random forest importance, chi-squared, and information main methods, and (3) comparison of SPSA-FS as a feature ranking method in a regression setting against minimum redundancy maximum relevance (MRMR), RELIEF, and linear correlation methods. The number of features in the datasets we use range from a few dozens to a few thousands. Our results indicate that SPSA-FS converges to a good feature set in no more than 100 iterations and therefore it is quite fast for a wrapper method. SPSA-FS also outperforms popular feature selection as well as feature ranking methods in majority of test cases, sometimes by a large margin, and it stands as a promising new feature selection and ranking method.

  • 6 authors
·
Apr 15, 2018

PerturbBridge: Direct Phenotypic Supervision for Cellular Perturbation Generation

Virtual cell models should capture phenotypes induced by specific perturbations. However, image-based models are typically trained and evaluated to match real-image distributions, which alone does not explicitly prioritize perturbation-specific biological responses. Recent approaches add biological signals through reinforcement-learning post-training or inference-time steering, raising a central question: where should biological response information enter the generative pipeline? We introduce PerturbBridge, a stochastic data-to-data bridge model that directly supervises perturbation-specific phenotypes in predicted perturbed images during training. PerturbBridge jointly optimizes bridge regression and differentiable biological response losses, with biological gradients passing through a frozen image encoder. We further introduce perturbation-response evaluations based on downstream classification and retrieval. Across three microscopy benchmarks for perturbation profiling and subcellular imaging, PerturbBridge surpasses CellFlux in biological fidelity, image quality, and sampling efficiency. On BBBC021, mechanism-of-action classification improves by 5.66 and 7.5 percentage points with morphological and learned visual features, respectively. On JUMP and AllenCell, retrieval Hit@10 and Hit@1 improve by 1.77 and 7.15 percentage points, respectively. On BBBC021 and JUMP, PerturbBridge achieves lower FID with 80% fewer model evaluations than CellFlux. Overall, these results show that directly supervising perturbation responses during training improves phenotypic fidelity while enabling efficient cellular image generation. Code is available at https://github.com/yyc1215lll-creator/PerturbBridge.

  • 6 authors
·
Oct 11

Robust Learnability of Sample-Compressible Distributions under Noisy or Adversarial Perturbations

Learning distribution families over R^d is a fundamental problem in unsupervised learning and statistics. A central question in this setting is whether a given family of distributions possesses sufficient structure to be (at least) information-theoretically learnable and, if so, to characterize its sample complexity. In 2018, Ashtiani et al. reframed sample compressibility, originally due to Littlestone and Warmuth (1986), as a structural property of distribution classes, proving that it guarantees PAC-learnability. This discovery subsequently enabled a series of recent advancements in deriving nearly tight sample complexity bounds for various high-dimensional open problems. It has been further conjectured that the converse also holds: every learnable class admits a tight sample compression scheme. In this work, we establish that sample compressible families remain learnable even from perturbed samples, subject to a set of necessary and sufficient conditions. We analyze two models of data perturbation: (i) an additive independent noise model, and (ii) an adversarial corruption model, where an adversary manipulates a limited subset of the samples unknown to the learner. Our results are general and rely on as minimal assumptions as possible. We develop a perturbation-quantization framework that interfaces naturally with the compression scheme and leads to sample complexity bounds that scale gracefully with the noise level and corruption budget. As concrete applications, we establish new sample complexity bounds for learning finite mixtures of high-dimensional uniform distributions under both noise and adversarial perturbations, as well as for learning Gaussian mixture models from adversarially corrupted samples, resolving two open problems in the literature.

  • 2 authors
·
Jun 6, 2025

SAMO: A Lightweight Sharpness-Aware Approach for Multi-Task Optimization with Joint Global-Local Perturbation

Multi-task learning (MTL) enables a joint model to capture commonalities across multiple tasks, reducing computation costs and improving data efficiency. However, a major challenge in MTL optimization is task conflicts, where the task gradients differ in direction or magnitude, limiting model performance compared to single-task counterparts. Sharpness-aware minimization (SAM) minimizes task loss while simultaneously reducing the sharpness of the loss landscape. Our empirical observations show that SAM effectively mitigates task conflicts in MTL. Motivated by these findings, we explore integrating SAM into MTL but face two key challenges. While both the average loss gradient and individual task gradients-referred to as global and local information-contribute to SAM, how to combine them remains unclear. Moreover, directly computing each task gradient introduces significant computational and memory overheads. To address these challenges, we propose SAMO, a lightweight Sharpness-Aware Multi-task Optimization approach, that leverages a joint global-local perturbation. The local perturbations are approximated using only forward passes and are layerwise normalized to improve efficiency. Extensive experiments on a suite of multi-task benchmarks demonstrate both the effectiveness and efficiency of our method. Code is available at https://github.com/OptMN-Lab/SAMO.

  • 3 authors
·
Jul 10, 2025

Retrieval-Augmented Generation for Predicting Cellular Responses to Gene Perturbation

Predicting how cells respond to genetic perturbations is fundamental to understanding gene function, disease mechanisms, and therapeutic development. While recent deep learning approaches have shown promise in modeling single-cell perturbation responses, they struggle to generalize across cell types and perturbation contexts due to limited contextual information during generation. We introduce PT-RAG (Perturbation-aware Two-stage Retrieval-Augmented Generation), a novel framework that extends Retrieval-Augmented Generation beyond traditional language-model applications to cellular biology. Unlike standard RAG systems designed for text retrieval with pre-trained LLMs, perturbation retrieval lacks established similarity metrics and requires learning what constitutes relevant context, making differentiable retrieval essential. PT-RAG addresses this through a two-stage pipeline: first, retrieving candidate perturbations K using GenePT embeddings, then adaptively refining the selection through Gumbel-Softmax discrete sampling conditioned on both the cell state and the input perturbation. This cell-type-aware differentiable retrieval enables end-to-end optimization of the retrieval objective jointly with generation. On the Replogle-Nadig single-gene perturbation dataset, we demonstrate that PT-RAG outperforms both STATE and vanilla RAG under identical experimental conditions, with the strongest gains in distributional similarity metrics (W_1, W_2). Notably, vanilla RAG's dramatic failure is itself a key finding: it demonstrates that differentiable, cell-type-aware retrieval is essential in this domain, and that naive retrieval can actively harm performance. Our results establish retrieval-augmented generation as a promising paradigm for modelling cellular responses to gene perturbation. The code to reproduce our experiments is available at https://github.com/difra100/PT-RAG_ICLR.

DRIFT: Disentangled Responsive-Invariant Flow Transport for Single-Cell Perturbation Prediction

Predicting cellular responses to perturbations is a central problem in cellular biology, with broad applications in systems biology and drug discovery. This task is challenging because cellular responses can be complex and cell-state dependent, intrinsic cell-to-cell variability can be confounded with perturbation effects, and destructive single-cell RNA sequencing precludes paired measurements of the same cell before and after treatment. Flow matching transports control cells to perturbed states flexibly, but acting on the full cell state can confound perturbation effects with pre-existing cell-to-cell variability. Disentangled approaches separate responsive from invariant components, but model perturbations through prescribed mechanisms, such as latent shifts or graph edits, limiting their flexibility. We address both limitations in a unified framework. A variational encoder disentangles each cell into an invariant block, capturing state unaffected by the perturbation, and a responsive block, capturing state it changes, through conditional priors and an information-theoretic invariance constraint. Conditional flow matching transports only the responsive block, conditioned on the perturbation and invariant state, yielding a flexible, data-driven model of perturbation effects without confounding pre-existing variability. Across several benchmarks, our method outperforms the strongest published method in settings involving combinatorial and unseen perturbation prediction.

  • 3 authors
·
Sep 27

RAP-WAM: Learning World-Action Models through Predictive Rehearsal and Action Perturbations

Recent world action models draw on video generation priors to jointly predict future observations and robot actions. Adapting these priors to control requires determining how future predictions should guide policy learning. RAP-WAM combines predictive Rehearsal and Action Perturbations (RAP) with future-supervised queries and Coupled Action Projection for policy learning. Predictive rehearsal trains on model-generated inputs while retaining recorded targets, and accumulates recurring errors into a spatial prior. We perturb actions and measure changes in video predictions. Action-response-based spatiotemporal credit assignment combines these responses, prediction error, and the rehearsal prior to allocate visual supervision; spatially aggregating the responses determines supervision intensity across future action steps. No separate scoring network or deployment-time probe is required. The base learns from a video-pretrained backbone without intermediate pretraining on external embodied data. We evaluate the fixed base and its agent-refined, task-conditioned system. On 42 RoboDojo tasks, their average success rates are 12.85% and 15.62%, with Scores of 17.86 and 20.59. Across 15 real-robot tasks, the complete system achieves 89.00% task-macro-average success, exceeding the strongest of five baselines by 37.67 percentage points. Across 315 fixed-output simulation windows, 45.21% of response-top20 positions fall outside error-top20, revealing information beyond prediction error. Videos and further details are available on the project website: https://rapwam.github.io/.

  • 11 authors
·
Oct 14

Slow Beats Fast at the Kesten-Stigum Threshold: Minimax, Fisher-Information and Belief-Propagation Characterizations of the Information-Computation Gap in Sparse Stochastic Block Models

We study community recovery in the sparse symmetric stochastic block model with q communities, average degree d and signal strength λ through statistical decision theory and Fisher information, and obtain three characterizations of the Kesten-Stigum threshold dλ^2=1 and of the information-computation gap below it. First, on each community-size profile the minimax risk of any class of rules closed under averaging and vertex relabeling equals its Bayes risk under the uniform prior; the posterior mean is the unique Bayes rule and is admissible, and the Bayes risk of degree-D polynomial rules is the trivial risk times 1-Corr_D^2. Combined with known low-degree and information-theoretic results, this gives the gap as a worst-case statement: for qge 5 there is a window below the threshold in which no low-degree rule beats the trivial risk asymptotically, while an exponential-time rule does on a set of labelings of probability 1-o(1). Second, the Fisher information about λ carried by cycle counts is a series with terms of order k(dλ^2)^k, convergent exactly when dλ^2<1; below the threshold the relative error of every unbiased cycle-based estimator of λ^k stays above an explicit constant, and every cycle-count test has success probability bounded below one. Third, the derivative of belief propagation at its uninformative fixed point multiplies a random perturbation by |λ|d per iteration, and one EM step taken there leaves λ unchanged. A signal-to-noise computation recovers the condition dλ^{1/χ}>1 of Chin et al. for q=n^χ communities and identifies personalized PageRank as a walk count with suboptimal weights. Experiments on networks with up to 3times 10^5 vertices confirm the threshold for q=2, the hard window for q=5, and the many-community scaling.

  • 1 authors
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Oct 5

Can We Trust In-Distribution Success? Locked Evaluation Reveals Transfer Failure and Sampling-Depth Entanglement in CRISPRi Perturbation Prediction

AI evaluation can support the wrong inference when an in-domain benchmark success does not survive distribution shift, or when the benchmark endpoint is entangled with a design factor. We study this problem in CRISPRi perturbation-effect prediction, evaluating a frozen Geneformer representation under a locked, pre-registered protocol: heads and model selection were frozen before test evaluation; the protocol required external outcome labels to remain withheld until final unblinding; and analysis-governing decisions were fixed before the evaluations they govern. In-distribution on the Virtual Cell Challenge (VCC), the frozen representation carries measurable predictive information beyond a dimension-matched random-feature control (Delta R^2 = +0.1645, 95% CI [+0.1375, +0.1920]), satisfying the pre-registered informativeness gate required before interpreting transfer. It then fails zero-shot transfer on both external screens (Spearman rho = -0.139 and -0.267), lying below that control on each. Adding a predefined magnitude block improves the representation externally (Delta rho = +0.032 and +0.143) but, under the frozen primary head, does not rescue transfer: both remain negative. A pre-registered, count-adjusted max-response secondary is positively associated with the outcome on both screens; we report it as correlational and secondary, not as a recovered magnitude signal. Finally, the VCC endpoint is strongly sample-size associated: a count-only linear model reaches R^2 = +0.4325, versus +0.2589 for the four magnitude scalars; adding those scalars to cell count improves R^2 by only +0.0017, so much of the aggregate-magnitude signal overlaps with cell count. This case study shows how locking the evaluation, harmonizing the measured endpoint, and separating primary from secondary evidence can change the inference supported by an AI benchmark.

  • 2 authors
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Aug 30

Life of PII -- A PII Obfuscation Transformer

Protecting sensitive information is crucial in today's world of Large Language Models (LLMs) and data-driven services. One common method used to preserve privacy is by using data perturbation techniques to reduce overreaching utility of (sensitive) Personal Identifiable Information (PII) data while maintaining its statistical and semantic properties. Data perturbation methods often result in significant information loss, making them impractical for use. In this paper, we propose 'Life of PII', a novel Obfuscation Transformer framework for transforming PII into faux-PII while preserving the original information, intent, and context as much as possible. Our approach includes an API to interface with the given document, a configuration-based obfuscator, and a model based on the Transformer architecture, which has shown high context preservation and performance in natural language processing tasks and LLMs. Our Transformer-based approach learns mapping between the original PII and its transformed faux-PII representation, which we call "obfuscated" data. Our experiments demonstrate that our method, called Life of PII, outperforms traditional data perturbation techniques in terms of both utility preservation and privacy protection. We show that our approach can effectively reduce utility loss while preserving the original information, offering greater flexibility in the trade-off between privacy protection and data utility. Our work provides a solution for protecting PII in various real-world applications.

  • 3 authors
·
May 16, 2023

Markov length can diverge in systems whose universal physics is spatially Markovian

Conditional mutual information (CMI) probes spatial non-Markovianity and plays a central role in a recently developed framework for defining mixed-state phases based on local reversibility. This framework sharply distinguishes exponentially decaying from algebraically decaying CMI, since the latter obstructs equivalence to a state with finite Markov length. Here we show that states that flow to the same renormalization-group (RG) fixed point can nevertheless exhibit qualitatively different CMI. Starting from a critical Gibbs state of a finite-range local classical Hamiltonian, whose CMI vanishes beyond the interaction range, we show that an RG-irrelevant perturbation that breaks detailed balance generically generates algebraically decaying CMI. Crucially, these power-law tails are cutoff-suppressed: although they lead to an infinite Markov length at every fixed lattice cutoff, they vanish as a positive power of the cutoff in the continuum limit. We construct solvable models that exhibit this phenomenon and predict that the Ising-symmetric critical point of Toom's cellular automata generically exhibits such behavior. We also find analogous cutoff-suppressed CMI in the high-temperature paramagnetic phase of the long-range Ising paramagnet, in contrast with the genuine power-law CMI at the finite-temperature critical point in this same model that survives the continuum limit. We also derive a general result that in one spatial dimension, CMI decays faster than the inverse square of the buffer length if and only if the long-distance physics is Markovian.

  • 2 authors
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Oct 7

A Frustratingly Simple Yet Highly Effective Attack Baseline: Over 90% Success Rate Against the Strong Black-box Models of GPT-4.5/4o/o1

Despite promising performance on open-source large vision-language models (LVLMs), transfer-based targeted attacks often fail against black-box commercial LVLMs. Analyzing failed adversarial perturbations reveals that the learned perturbations typically originate from a uniform distribution and lack clear semantic details, resulting in unintended responses. This critical absence of semantic information leads commercial LVLMs to either ignore the perturbation entirely or misinterpret its embedded semantics, thereby causing the attack to fail. To overcome these issues, we notice that identifying core semantic objects is a key objective for models trained with various datasets and methodologies. This insight motivates our approach that refines semantic clarity by encoding explicit semantic details within local regions, thus ensuring interoperability and capturing finer-grained features, and by concentrating modifications on semantically rich areas rather than applying them uniformly. To achieve this, we propose a simple yet highly effective solution: at each optimization step, the adversarial image is cropped randomly by a controlled aspect ratio and scale, resized, and then aligned with the target image in the embedding space. Experimental results confirm our hypothesis. Our adversarial examples crafted with local-aggregated perturbations focused on crucial regions exhibit surprisingly good transferability to commercial LVLMs, including GPT-4.5, GPT-4o, Gemini-2.0-flash, Claude-3.5-sonnet, Claude-3.7-sonnet, and even reasoning models like o1, Claude-3.7-thinking and Gemini-2.0-flash-thinking. Our approach achieves success rates exceeding 90% on GPT-4.5, 4o, and o1, significantly outperforming all prior state-of-the-art attack methods. Our optimized adversarial examples under different configurations and training code are available at https://github.com/VILA-Lab/M-Attack.

  • 5 authors
·
Mar 13, 2025 2

Golden Noise for Diffusion Models: A Learning Framework

Text-to-image diffusion model is a popular paradigm that synthesizes personalized images by providing a text prompt and a random Gaussian noise. While people observe that some noises are ``golden noises'' that can achieve better text-image alignment and higher human preference than others, we still lack a machine learning framework to obtain those golden noises. To learn golden noises for diffusion sampling, we mainly make three contributions in this paper. First, we identify a new concept termed the noise prompt, which aims at turning a random Gaussian noise into a golden noise by adding a small desirable perturbation derived from the text prompt. Following the concept, we first formulate the noise prompt learning framework that systematically learns ``prompted'' golden noise associated with a text prompt for diffusion models. Second, we design a noise prompt data collection pipeline and collect a large-scale noise prompt dataset~(NPD) that contains 100k pairs of random noises and golden noises with the associated text prompts. With the prepared NPD as the training dataset, we trained a small noise prompt network~(NPNet) that can directly learn to transform a random noise into a golden noise. The learned golden noise perturbation can be considered as a kind of prompt for noise, as it is rich in semantic information and tailored to the given text prompt. Third, our extensive experiments demonstrate the impressive effectiveness and generalization of NPNet on improving the quality of synthesized images across various diffusion models, including SDXL, DreamShaper-xl-v2-turbo, and Hunyuan-DiT. Moreover, NPNet is a small and efficient controller that acts as a plug-and-play module with very limited additional inference and computational costs, as it just provides a golden noise instead of a random noise without accessing the original pipeline.

  • 6 authors
·
Nov 14, 2024

Reliable Representations Make A Stronger Defender: Unsupervised Structure Refinement for Robust GNN

Benefiting from the message passing mechanism, Graph Neural Networks (GNNs) have been successful on flourish tasks over graph data. However, recent studies have shown that attackers can catastrophically degrade the performance of GNNs by maliciously modifying the graph structure. A straightforward solution to remedy this issue is to model the edge weights by learning a metric function between pairwise representations of two end nodes, which attempts to assign low weights to adversarial edges. The existing methods use either raw features or representations learned by supervised GNNs to model the edge weights. However, both strategies are faced with some immediate problems: raw features cannot represent various properties of nodes (e.g., structure information), and representations learned by supervised GNN may suffer from the poor performance of the classifier on the poisoned graph. We need representations that carry both feature information and as mush correct structure information as possible and are insensitive to structural perturbations. To this end, we propose an unsupervised pipeline, named STABLE, to optimize the graph structure. Finally, we input the well-refined graph into a downstream classifier. For this part, we design an advanced GCN that significantly enhances the robustness of vanilla GCN without increasing the time complexity. Extensive experiments on four real-world graph benchmarks demonstrate that STABLE outperforms the state-of-the-art methods and successfully defends against various attacks.

  • 7 authors
·
Jun 30, 2022

Less Is More -- Until It Breaks: Security Pitfalls of Vision Token Compression in Large Vision-Language Models

Visual token compression is widely adopted to improve the inference efficiency of Large Vision-Language Models (LVLMs), enabling their deployment in latency-sensitive and resource-constrained scenarios. However, existing work has mainly focused on efficiency and performance, while the security implications of visual token compression remain largely unexplored. In this work, we first reveal that visual token compression substantially degrades the robustness of LVLMs: models that are robust under uncompressed inference become highly vulnerable once compression is enabled. These vulnerabilities are state-specific; failure modes emerge only in the compressed setting and completely disappear when compression is disabled, making them particularly hidden and difficult to diagnose. By analyzing the key stages of the compression process, we identify instability in token importance ranking as the primary cause of this robustness degradation. Small and imperceptible perturbations can significantly alter token rankings, leading the compression mechanism to mistakenly discard task-critical information and ultimately causing model failure. Motivated by this observation, we propose a Compression-Aware Attack to systematically study and exploit this vulnerability. CAA directly targets the token selection mechanism and induces failures exclusively under compressed inference. We further extend this approach to more realistic black-box settings and introduce Transfer CAA, where neither the target model nor the compression configuration is accessible. We further evaluate potential defenses and find that they provide only limited protection. Extensive experiments across models, datasets, and compression methods show that visual token compression significantly undermines robustness, revealing a previously overlooked efficiency-security trade-off.

  • 6 authors
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Jan 17 3

Downstream-agnostic Adversarial Examples

Self-supervised learning usually uses a large amount of unlabeled data to pre-train an encoder which can be used as a general-purpose feature extractor, such that downstream users only need to perform fine-tuning operations to enjoy the benefit of "large model". Despite this promising prospect, the security of pre-trained encoder has not been thoroughly investigated yet, especially when the pre-trained encoder is publicly available for commercial use. In this paper, we propose AdvEncoder, the first framework for generating downstream-agnostic universal adversarial examples based on the pre-trained encoder. AdvEncoder aims to construct a universal adversarial perturbation or patch for a set of natural images that can fool all the downstream tasks inheriting the victim pre-trained encoder. Unlike traditional adversarial example works, the pre-trained encoder only outputs feature vectors rather than classification labels. Therefore, we first exploit the high frequency component information of the image to guide the generation of adversarial examples. Then we design a generative attack framework to construct adversarial perturbations/patches by learning the distribution of the attack surrogate dataset to improve their attack success rates and transferability. Our results show that an attacker can successfully attack downstream tasks without knowing either the pre-training dataset or the downstream dataset. We also tailor four defenses for pre-trained encoders, the results of which further prove the attack ability of AdvEncoder.

  • 7 authors
·
Jul 23, 2023

Are Large Language Models Post Hoc Explainers?

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

  • 5 authors
·
Oct 9, 2023

Susceptibility of Large Language Models to User-Driven Factors in Medical Queries

Large language models (LLMs) are increasingly used in healthcare, but their reliability is heavily influenced by user-driven factors such as question phrasing and the completeness of clinical information. In this study, we examined how misinformation framing, source authority, model persona, and omission of key clinical details affect the diagnostic accuracy and reliability of LLM outputs. We conducted two experiments: one introducing misleading external opinions with varying assertiveness (perturbation test), and another removing specific categories of patient information (ablation test). Using public datasets (MedQA and Medbullets), we evaluated proprietary models (GPT-4o, Claude 3.5 Sonnet, Claude 3.5 Haiku, Gemini 1.5 Pro, Gemini 1.5 Flash) and open-source models (LLaMA 3 8B, LLaMA 3 Med42 8B, DeepSeek R1 8B). All models were vulnerable to user-driven misinformation, with proprietary models especially affected by definitive and authoritative language. Assertive tone had the greatest negative impact on accuracy. In the ablation test, omitting physical exam findings and lab results caused the most significant performance drop. Although proprietary models had higher baseline accuracy, their performance declined sharply under misinformation. These results highlight the need for well-structured prompts and complete clinical context. Users should avoid authoritative framing of misinformation and provide full clinical details, especially for complex cases.

  • 7 authors
·
Mar 26, 2025

Quantifying and Enhancing Multi-modal Robustness with Modality Preference

Multi-modal models have shown a promising capability to effectively integrate information from various sources, yet meanwhile, they are found vulnerable to pervasive perturbations, such as uni-modal attacks and missing conditions. To counter these perturbations, robust multi-modal representations are highly expected, which are positioned well away from the discriminative multi-modal decision boundary. In this paper, different from conventional empirical studies, we focus on a commonly used joint multi-modal framework and theoretically discover that larger uni-modal representation margins and more reliable integration for modalities are essential components for achieving higher robustness. This discovery can further explain the limitation of multi-modal robustness and the phenomenon that multi-modal models are often vulnerable to attacks on the specific modality. Moreover, our analysis reveals how the widespread issue, that the model has different preferences for modalities, limits the multi-modal robustness by influencing the essential components and could lead to attacks on the specific modality highly effective. Inspired by our theoretical finding, we introduce a training procedure called Certifiable Robust Multi-modal Training (CRMT), which can alleviate this influence from modality preference and explicitly regulate essential components to significantly improve robustness in a certifiable manner. Our method demonstrates substantial improvements in performance and robustness compared with existing methods. Furthermore, our training procedure can be easily extended to enhance other robust training strategies, highlighting its credibility and flexibility.

  • 4 authors
·
Feb 9, 2024

Frequency Prior Guided Matching: A Data Augmentation Approach for Generalizable Semi-Supervised Polyp Segmentation

Automated polyp segmentation is essential for early diagnosis of colorectal cancer, yet developing robust models remains challenging due to limited annotated data and significant performance degradation under domain shift. Although semi-supervised learning (SSL) reduces annotation requirements, existing methods rely on generic augmentations that ignore polyp-specific structural properties, resulting in poor generalization to new imaging centers and devices. To address this, we introduce Frequency Prior Guided Matching (FPGM), a novel augmentation framework built on a key discovery: polyp edges exhibit a remarkably consistent frequency signature across diverse datasets. FPGM leverages this intrinsic regularity in a two-stage process. It first learns a domain-invariant frequency prior from the edge regions of labeled polyps. Then, it performs principled spectral perturbations on unlabeled images, aligning their amplitude spectra with this learned prior while preserving phase information to maintain structural integrity. This targeted alignment normalizes domain-specific textural variations, thereby compelling the model to learn the underlying, generalizable anatomical structure. Validated on six public datasets, FPGM establishes a new state-of-the-art against ten competing methods. It demonstrates exceptional zero-shot generalization capabilities, achieving over 10% absolute gain in Dice score in data-scarce scenarios. By significantly enhancing cross-domain robustness, FPGM presents a powerful solution for clinically deployable polyp segmentation under limited supervision.

  • 3 authors
·
Jul 30, 2025

Improving Reconstruction of Representation Autoencoder

Recent work leverages Vision Foundation Models as image encoders to boost the generative performance of latent diffusion models (LDMs), as their semantic feature distributions are easy to learn. However, such semantic features often lack low-level information (\eg, color and texture), leading to degraded reconstruction fidelity, which has emerged as a primary bottleneck in further scaling LDMs. To address this limitation, we propose LV-RAE, a representation autoencoder that augments semantic features with missing low-level information, enabling high-fidelity reconstruction while remaining highly aligned with the semantic distribution. We further observe that the resulting high-dimensional, information-rich latent make decoders sensitive to latent perturbations, causing severe artifacts when decoding generated latent and consequently degrading generation quality. Our analysis suggests that this sensitivity primarily stems from excessive decoder responses along directions off the data manifold. Building on these insights, we propose fine-tuning the decoder to increase its robustness and smoothing the generated latent via controlled noise injection, thereby enhancing generation quality. Experiments demonstrate that LV-RAE significantly improves reconstruction fidelity while preserving the semantic abstraction and achieving strong generative quality. Our code is available at https://github.com/modyu-liu/LVRAE.

  • 9 authors
·
Feb 9

Copper-Policy: Focus on the Representation for Robust Robot Manipulation

World Action Models (WAMs) acquire behavioral priors by modeling future scene evolution, but predicting detailed futures in pixel or latent space incurs substantial cost. Recent evidence that co-training gains persist without test-time generation raises a question: what must a WAM learn to improve control? We introduce Copper-Policy, which learns a compact World representation with the policy rather than relying on a predefined target space. Through temporal joint-embedding prediction, it predicts future observation embeddings conditioned on task intention without reconstructing pixels. This prediction and action decoding shape the representation jointly, while the policy retains access to current-frame spatial detail for execution. Representation analyses show that the learned features better separate task-driven change from perturbations and provide complementary information for control. Compact prediction targets reduce training tokens per sample, enabling a 2B-parameter model trained in 9.67 hours on 8times RTX 5090 GPUs and 6times faster than Fast-WAM on matched A100 GPUs. Copper-Policy outperforms every compared method without embodied pretraining on RoboTwin and several embodied-pretrained VLAs on LIBERO-Plus (80.85%). On three challenging real-robot tasks, it performs comparably to π_{0.5} and attains a higher average score. Together, these results show that Copper-Policy combines strong control performance with efficient training.

  • 9 authors
·
Sep 25

Multimodal LLMs Can Learn to Read Brain Signals: A Vision--Language Model for Unified Multi-Task EEG Decoding

Learning EEG representations that generalize across cognitive tasks, subjects, and recording conditions remains a key challenge in electroencephalography (EEG) decoding. Recent advances in foundation models have improved EEG decoding performance, yet a fundamental open question remains: how to effectively interface neural signals with these models to enable multi-task learning across datasets. To investigate this question, we introduce BraVista, a visual-language framework that encodes multichannel EEG signals as structured images and enables multi-task learning through instruction-conditioned vision-language models (VLMs). Our approach relies on continued post-training of a general-domain VLM, leveraging its visual and linguistic priors to adapt to neural signals without a separate large-scale EEG-specific pretraining stage. We evaluate BraVista on four datasets spanning sleep staging, emotion recognition, cognitive workload classification, and abnormal EEG detection, showing strong performance across these tasks. Further analyses show that the choice of EEG-to-image representation is critical to performance. Moreover, through controlled perturbations of the EEG signal, we observe a gradual performance degradation under increasing noise, suggesting that the model relies on EEG-relevant information rather than superficial visual patterns. Together, these findings establish structured visual representations as an effective and scalable interface between neural signals and general-domain foundation models for unified multi-task EEG decoding.

  • 3 authors
·
Oct 6

DESI 2024 V: Full-Shape Galaxy Clustering from Galaxies and Quasars

We present the measurements and cosmological implications of the galaxy two-point clustering using over 4.7 million unique galaxy and quasar redshifts in the range 0.1<z<2.1 divided into six redshift bins over a sim 7,500 square degree footprint, from the first year of observations with the Dark Energy Spectroscopic Instrument (DESI Data Release 1). By fitting the full power spectrum, we extend previous DESI DR1 baryon acoustic oscillation (BAO) measurements to include redshift-space distortions and signals from the matter-radiation equality scale. For the first time, this Full-Shape analysis is blinded at the catalogue-level to avoid confirmation bias and the systematic errors are accounted for at the two-point clustering level, which automatically propagates them into any cosmological parameter. When analysing the data in terms of compressed model-agnostic variables, we obtain a combined precision of 4.7\% on the amplitude of the redshift space distortion signal reaching similar precision with just one year of DESI data than with 20 years of observation from previous generation surveys. We analyse the data to directly constrain the cosmological parameters within the LambdaCDM model using perturbation theory and combine this information with the reconstructed DESI DR1 galaxy BAO. Using a Big Bang Nucleosynthesis Gaussian prior on the baryon density parameter, and a Gaussian prior on the spectral index, we constrain the matter density is Omega_m=0.296pm 0.010 and the Hubble constant H_0=(68.63 pm 0.79)[{rm km, s^{-1}Mpc^{-1}}]. Additionally, we measure the amplitude of clustering sigma_8=0.841 pm 0.034. The DESI DR1 results are in agreement with the LambdaCDM model based on general relativity with parameters consistent with those from Planck. The cosmological interpretation of these results in combination with external datasets are presented in a companion paper.

  • 198 authors
·
Nov 18, 2024

IRAD: Implicit Representation-driven Image Resampling against Adversarial Attacks

We introduce a novel approach to counter adversarial attacks, namely, image resampling. Image resampling transforms a discrete image into a new one, simulating the process of scene recapturing or rerendering as specified by a geometrical transformation. The underlying rationale behind our idea is that image resampling can alleviate the influence of adversarial perturbations while preserving essential semantic information, thereby conferring an inherent advantage in defending against adversarial attacks. To validate this concept, we present a comprehensive study on leveraging image resampling to defend against adversarial attacks. We have developed basic resampling methods that employ interpolation strategies and coordinate shifting magnitudes. Our analysis reveals that these basic methods can partially mitigate adversarial attacks. However, they come with apparent limitations: the accuracy of clean images noticeably decreases, while the improvement in accuracy on adversarial examples is not substantial. We propose implicit representation-driven image resampling (IRAD) to overcome these limitations. First, we construct an implicit continuous representation that enables us to represent any input image within a continuous coordinate space. Second, we introduce SampleNet, which automatically generates pixel-wise shifts for resampling in response to different inputs. Furthermore, we can extend our approach to the state-of-the-art diffusion-based method, accelerating it with fewer time steps while preserving its defense capability. Extensive experiments demonstrate that our method significantly enhances the adversarial robustness of diverse deep models against various attacks while maintaining high accuracy on clean images.

  • 6 authors
·
Oct 18, 2023

LocalStyleFool: Regional Video Style Transfer Attack Using Segment Anything Model

Previous work has shown that well-crafted adversarial perturbations can threaten the security of video recognition systems. Attackers can invade such models with a low query budget when the perturbations are semantic-invariant, such as StyleFool. Despite the query efficiency, the naturalness of the minutia areas still requires amelioration, since StyleFool leverages style transfer to all pixels in each frame. To close the gap, we propose LocalStyleFool, an improved black-box video adversarial attack that superimposes regional style-transfer-based perturbations on videos. Benefiting from the popularity and scalably usability of Segment Anything Model (SAM), we first extract different regions according to semantic information and then track them through the video stream to maintain the temporal consistency. Then, we add style-transfer-based perturbations to several regions selected based on the associative criterion of transfer-based gradient information and regional area. Perturbation fine adjustment is followed to make stylized videos adversarial. We demonstrate that LocalStyleFool can improve both intra-frame and inter-frame naturalness through a human-assessed survey, while maintaining competitive fooling rate and query efficiency. Successful experiments on the high-resolution dataset also showcase that scrupulous segmentation of SAM helps to improve the scalability of adversarial attacks under high-resolution data.

  • 8 authors
·
Mar 18, 2024

GRNFormer: A Biologically-Guided Framework for Integrating Gene Regulatory Networks into RNA Foundation Models

Foundation models for single-cell RNA sequencing (scRNA-seq) have shown promising capabilities in capturing gene expression patterns. However, current approaches face critical limitations: they ignore biological prior knowledge encoded in gene regulatory relationships and fail to leverage multi-omics signals that could provide complementary regulatory insights. In this paper, we propose GRNFormer, a new framework that systematically integrates multi-scale Gene Regulatory Networks (GRNs) inferred from multi-omics data into RNA foundation model training. Our framework introduces two key innovations. First, we introduce a pipeline for constructing hierarchical GRNs that capture regulatory relationships at both cell-type-specific and cell-specific resolutions. Second, we design a structure-aware integration framework that addresses the information asymmetry in GRNs through two technical advances: (1) A graph topological adapter using multi-head cross-attention to weight regulatory relationships dynamically, and (2) a novel edge perturbation strategy that perturb GRNs with biologically-informed co-expression links to augment graph neural network training. Comprehensive experiments have been conducted on three representative downstream tasks across multiple model architectures to demonstrate the effectiveness of GRNFormer. It achieves consistent improvements over state-of-the-art (SoTA) baselines: 3.6% increase in drug response prediction correlation, 9.6% improvement in single-cell drug classification AUC, and 1.1% average gain in gene perturbation prediction accuracy.

  • 9 authors
·
Mar 3, 2025

When Hard Negatives Hurt: Bridging the Generative-Discriminative Gap in Hard Negative Synthesis for Retrieval

Hard negative mining has become the dominant strategy for training retrievers, yet it faces intrinsic limitations: negatives are bounded by corpus availability, selected by retriever score rather than diagnostic value, and increasingly contaminated by false positives as the retriever improves. LLM-based synthesis offers a principled alternative, where negatives that are unconstrained, targeted, and free from false positive risk. But we show that naively incorporating generated negatives into contrastive learning often degrades retrieval performance. We identify and formalize the root cause as a generative-discriminative gap: LLM generation optimizes for fluent, plausible text, while contrastive learning demands strategic violations of relevance at the decision boundary. Our analysis reveals two compounding failure modes: discriminative-agnostic generation, where the LLM lacks an explicit model of query information needs and defaults to generic or topic-drifted text that provides no contrastive signal; and source-dependent shortcuts, where distributional artifacts enable the model to distinguish negatives by origin rather than relevance, causing gradient drift that actively corrupts optimization. To close this gap, we propose CausalNeg consisting of two main modules: (1) CoT-guided counterfactual perturbation for data construction: decomposes why a document satisfies a query into explicit information requirements, then surgically violates individual requirements to construct negatives with controlled, interpretable hardness. (2) Query-view entropy maximization during training: disperses generated negatives across the similarity spectrum, minimizing the mutual information between source identity and similarity scores to suppress shortcut exploitation. We make our code publicly available at https://github.com/mzhangzhicheng/CausalNeg.

  • 12 authors
·
Jun 6

Contextual Fusion For Adversarial Robustness

Mammalian brains handle complex reasoning tasks in a gestalt manner by integrating information from regions of the brain that are specialised to individual sensory modalities. This allows for improved robustness and better generalisation ability. In contrast, deep neural networks are usually designed to process one particular information stream and susceptible to various types of adversarial perturbations. While many methods exist for detecting and defending against adversarial attacks, they do not generalise across a range of attacks and negatively affect performance on clean, unperturbed data. We developed a fusion model using a combination of background and foreground features extracted in parallel from Places-CNN and Imagenet-CNN. We tested the benefits of the fusion approach on preserving adversarial robustness for human perceivable (e.g., Gaussian blur) and network perceivable (e.g., gradient-based) attacks for CIFAR-10 and MS COCO data sets. For gradient based attacks, our results show that fusion allows for significant improvements in classification without decreasing performance on unperturbed data and without need to perform adversarial retraining. Our fused model revealed improvements for Gaussian blur type perturbations as well. The increase in performance from fusion approach depended on the variability of the image contexts; larger increases were seen for classes of images with larger differences in their contexts. We also demonstrate the effect of regularization to bias the classifier decision in the presence of a known adversary. We propose that this biologically inspired approach to integrate information across multiple modalities provides a new way to improve adversarial robustness that can be complementary to current state of the art approaches.

  • 3 authors
·
Nov 18, 2020

Joint Reasoning on Hybrid-knowledge sources for Task-Oriented Dialog

Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured knowledge base (KB) while information about aspects such as entrance ticket prices, would always be available in documents. In this paper, we create a modified version of the MutliWOZ-based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.

  • 3 authors
·
Oct 13, 2022 2

TEMPLE:Temporal Preference Learning of Video LLMs via Difficulty Scheduling and Pre-SFT Alignment

Video Large Language Models (Video LLMs) have achieved significant success by leveraging a two-stage paradigm: pretraining on large-scale video-text data for vision-language alignment, followed by supervised fine-tuning (SFT) for task-specific capabilities. However, existing approaches struggle with temporal reasoning due to weak temporal correspondence in the data and reliance on the next-token prediction paradigm during training. To address these limitations, we propose TEMPLE (TEMporal Preference Learning), a systematic framework that enhances Video LLMs' temporal reasoning capabilities through Direct Preference Optimization (DPO). To facilitate this, we introduce an automated preference data generation pipeline that systematically constructs preference pairs by selecting videos that are rich in temporal information, designing video-specific perturbation strategies, and finally evaluating model responses on clean and perturbed video inputs. Our temporal alignment features two key innovations: curriculum learning which that progressively increases perturbation difficulty to improve model robustness and adaptability; and "Pre-SFT Alignment'', applying preference optimization before instruction tuning to prioritize fine-grained temporal comprehension. Extensive experiments demonstrate that our approach consistently improves Video LLM performance across multiple benchmarks with a relatively small set of self-generated DPO data. We further analyze the transferability of DPO data across architectures and the role of difficulty scheduling in optimization. Our findings highlight our TEMPLE as a scalable and efficient complement to SFT-based methods, paving the way for developing reliable Video LLMs. Code is available at https://github.com/lscpku/TEMPLE.

  • 10 authors
·
Mar 21, 2025

C3D-AD: Toward Continual 3D Anomaly Detection via Kernel Attention with Learnable Advisor

3D Anomaly Detection (AD) has shown great potential in detecting anomalies or defects of high-precision industrial products. However, existing methods are typically trained in a class-specific manner and also lack the capability of learning from emerging classes. In this study, we proposed a continual learning framework named Continual 3D Anomaly Detection (C3D-AD), which can not only learn generalized representations for multi-class point clouds but also handle new classes emerging over time.Specifically, in the feature extraction module, to extract generalized local features from diverse product types of different tasks efficiently, Kernel Attention with random feature Layer (KAL) is introduced, which normalizes the feature space. Then, to reconstruct data correctly and continually, an efficient Kernel Attention with learnable Advisor (KAA) mechanism is proposed, which learns the information from new categories while discarding redundant old information within both the encoder and decoder. Finally, to keep the representation consistency over tasks, a Reconstruction with Parameter Perturbation (RPP) module is proposed by designing a representation rehearsal loss function, which ensures that the model remembers previous category information and returns category-adaptive representation.Extensive experiments on three public datasets demonstrate the effectiveness of the proposed method, achieving an average performance of 66.4%, 83.1%, and 63.4% AUROC on Real3D-AD, Anomaly-ShapeNet, and MulSen-AD, respectively.

  • 6 authors
·
Aug 2, 2025 2

BioM-JEPA: joint-embedding prediction of graph-connected gene blocks in single cells

Single-cell transcriptomes are sparse observations of coordinated biological programmes, yet most self-supervised models learn by reconstructing individual genes. Here we present BioM-JEPA, a joint-embedding predictive architecture that instead predicts aggregate representations of graph-connected gene blocks defined by protein-association and corpus-derived coexpression evidence. A student network infers each target-block representation from the remaining genes in a cell, while a slowly updated teacher supplies the corresponding target from the full observed gene set. Under the reported extraction procedure, block-level prediction produced embeddings with higher effective rank and weaker association with detected-gene depth in the tested diagnostics than token-prediction, random-block and reconstruction controls. Across CellBench tasks, frozen BioM-JEPA embeddings retained expression, pathway and neighbourhood information and achieved the lowest aggregate perturbation-response error among the evaluated models. Representation diagnostics were also consistent with canonical pancreatic programmes and compositional relationships between genetic perturbations. Linear attention avoids constructing a quadratic gene-by-gene attention matrix; in a matched one-epoch hPancreas experiment at batch size 8, BioM-JEPA provided 5.75-fold higher fine-tuning throughput and 3.76-fold higher held-out embedding throughput than scFoundation. Together, these results support graph-connected gene blocks as useful prediction units for JEPA-style representation learning in single-cell biology.

  • 5 authors
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Aug 5

QuEST: Low-bit Diffusion Model Quantization via Efficient Selective Finetuning

Diffusion models have achieved remarkable success in image generation tasks, yet their practical deployment is restrained by the high memory and time consumption. While quantization paves a way for diffusion model compression and acceleration, existing methods totally fail when the models are quantized to low-bits. In this paper, we unravel three properties in quantized diffusion models that compromise the efficacy of current methods: imbalanced activation distributions, imprecise temporal information, and vulnerability to perturbations of specific modules. To alleviate the intensified low-bit quantization difficulty stemming from the distribution imbalance, we propose finetuning the quantized model to better adapt to the activation distribution. Building on this idea, we identify two critical types of quantized layers: those holding vital temporal information and those sensitive to reduced bit-width, and finetune them to mitigate performance degradation with efficiency. We empirically verify that our approach modifies the activation distribution and provides meaningful temporal information, facilitating easier and more accurate quantization. Our method is evaluated over three high-resolution image generation tasks and achieves state-of-the-art performance under various bit-width settings, as well as being the first method to generate readable images on full 4-bit (i.e. W4A4) Stable Diffusion. Code is been made publicly available.

  • 5 authors
·
Feb 5, 2024

KineticNet: Deep learning a transferable kinetic energy functional for orbital-free density functional theory

Orbital-free density functional theory (OF-DFT) holds the promise to compute ground state molecular properties at minimal cost. However, it has been held back by our inability to compute the kinetic energy as a functional of the electron density only. We here set out to learn the kinetic energy functional from ground truth provided by the more expensive Kohn-Sham density functional theory. Such learning is confronted with two key challenges: Giving the model sufficient expressivity and spatial context while limiting the memory footprint to afford computations on a GPU; and creating a sufficiently broad distribution of training data to enable iterative density optimization even when starting from a poor initial guess. In response, we introduce KineticNet, an equivariant deep neural network architecture based on point convolutions adapted to the prediction of quantities on molecular quadrature grids. Important contributions include convolution filters with sufficient spatial resolution in the vicinity of the nuclear cusp, an atom-centric sparse but expressive architecture that relays information across multiple bond lengths; and a new strategy to generate varied training data by finding ground state densities in the face of perturbations by a random external potential. KineticNet achieves, for the first time, chemical accuracy of the learned functionals across input densities and geometries of tiny molecules. For two electron systems, we additionally demonstrate OF-DFT density optimization with chemical accuracy.

  • 5 authors
·
May 8, 2023

Thinking vs. NoThinking: Towards Interpreting Reasoning Mechanisms of Large Language Models via Sparse Autoencoders

While Large Language Models (LLMs) employing Chain-of-Thought (CoT) exhibit superior reasoning capabilities, the neural mechanisms distinguishing this explicit Thinking mode from direct answer generation (NoThinking mode) remain poorly understood. To deconstruct this cognitive process, we apply Top-K Sparse Autoencoders (SAEs) to the intermediate representations of DeepSeek-R1-Distill-Qwen-7B and examine the model's divergent behaviors across math-solving tasks of three distinct difficulty levels. Observationally, we identify a clear distinction in how the model functions under two reasoning modes: Thinking mode relies on sparse and high-intensity feature activations driving verbal deduction independent of problem complexity, whereas NoThinking mode exhibits an adaptive and diffuse pattern prioritizing symbolic manipulation. Causally, suppressing the three most active sparse features by Total Activation Volume reveals three principles: (i) reasoning and syntactic structure are tightly coupled, as interventions consistently degrade and boxed-solution formatting; (ii) Thinking responds to disruption with compensatory over-generation marked by increased metacognitive cues and repetitive, low-information continuations; and (iii) coherent CoT behavior depends on a fragile coordination among specialized features, yielding distinct failure modes under perturbation but a consistently impaired output structure.

  • 4 authors
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Aug 7

Discover, Falsify, Revise: Auditing Input-Use Claims from Source Code to Predictive Contribution in Agent-Discovered Cell Models

AI virtual cells aim to predict cellular responses to specified interventions, yet held-out predictive performance alone does not establish use of the supplied perturbation information. This prediction-claim gap matters in agentic model discovery, where language-model agents generate and revise predictors using score-based feedback. We introduce CELLAUDIT, which audits input-use claims by asking whether an input can enter the cited computation, whether fitted predictions depend on it, and whether that dependence improves prediction of observed response. On a paired morphology-transcriptomics perturbation benchmark (BBBC047), an agent-selected predictor attains a mean held-out Global Pearson correlation coefficient (PCC) of 0.3153 but remains invariant to compound replacement; a control-profile-only predictor reaches 0.3142. Source inspection identifies a compound-query pathway blocked by singleton key-value attention, and the invariance persists after refitting with disjoint control wells. In a stratified audit of 48 candidates across two linked tasks, 47 change predictions under compound replacement on both held-out folds, but only 20 show target-loss gains with intervals above zero on both folds. On BBBC047, falsification-guided revisions recover positive mean compound contributions while retaining gains over the control-profile-only baseline. In matched sci-Plex searches, audit-enriched feedback yields higher held-out performance and larger mean compound and dose contributions across five trajectories, although paired intervals span zero. Refitting fixed designs on an independently acquired cohort shows predictive generalization need not imply generalization of input-use claims: dose contribution persists, whereas support for compound identity does not. CELLAUDIT adds a falsification layer to agentic model discovery, moving from generate-score-revise toward discover-falsify-revise.

  • 6 authors
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Sep 22

Differentially Private Empirical Risk Minimization

Privacy-preserving machine learning algorithms are crucial for the increasingly common setting in which personal data, such as medical or financial records, are analyzed. We provide general techniques to produce privacy-preserving approximations of classifiers learned via (regularized) empirical risk minimization (ERM). These algorithms are private under the ε-differential privacy definition due to Dwork et al. (2006). First we apply the output perturbation ideas of Dwork et al. (2006), to ERM classification. Then we propose a new method, objective perturbation, for privacy-preserving machine learning algorithm design. This method entails perturbing the objective function before optimizing over classifiers. If the loss and regularizer satisfy certain convexity and differentiability criteria, we prove theoretical results showing that our algorithms preserve privacy, and provide generalization bounds for linear and nonlinear kernels. We further present a privacy-preserving technique for tuning the parameters in general machine learning algorithms, thereby providing end-to-end privacy guarantees for the training process. We apply these results to produce privacy-preserving analogues of regularized logistic regression and support vector machines. We obtain encouraging results from evaluating their performance on real demographic and benchmark data sets. Our results show that both theoretically and empirically, objective perturbation is superior to the previous state-of-the-art, output perturbation, in managing the inherent tradeoff between privacy and learning performance.

  • 3 authors
·
Feb 15, 2011

Generalizable Data-free Objective for Crafting Universal Adversarial Perturbations

Machine learning models are susceptible to adversarial perturbations: small changes to input that can cause large changes in output. It is also demonstrated that there exist input-agnostic perturbations, called universal adversarial perturbations, which can change the inference of target model on most of the data samples. However, existing methods to craft universal perturbations are (i) task specific, (ii) require samples from the training data distribution, and (iii) perform complex optimizations. Additionally, because of the data dependence, fooling ability of the crafted perturbations is proportional to the available training data. In this paper, we present a novel, generalizable and data-free approaches for crafting universal adversarial perturbations. Independent of the underlying task, our objective achieves fooling via corrupting the extracted features at multiple layers. Therefore, the proposed objective is generalizable to craft image-agnostic perturbations across multiple vision tasks such as object recognition, semantic segmentation, and depth estimation. In the practical setting of black-box attack scenario (when the attacker does not have access to the target model and it's training data), we show that our objective outperforms the data dependent objectives to fool the learned models. Further, via exploiting simple priors related to the data distribution, our objective remarkably boosts the fooling ability of the crafted perturbations. Significant fooling rates achieved by our objective emphasize that the current deep learning models are now at an increased risk, since our objective generalizes across multiple tasks without the requirement of training data for crafting the perturbations. To encourage reproducible research, we have released the codes for our proposed algorithm.

  • 3 authors
·
Jan 24, 2018

InfoCom: Kilobyte-Scale Communication-Efficient Collaborative Perception with Information Bottleneck

Precise environmental perception is critical for the reliability of autonomous driving systems. While collaborative perception mitigates the limitations of single-agent perception through information sharing, it encounters a fundamental communication-performance trade-off. Existing communication-efficient approaches typically assume MB-level data transmission per collaboration, which may fail due to practical network constraints. To address these issues, we propose InfoCom, an information-aware framework establishing the pioneering theoretical foundation for communication-efficient collaborative perception via extended Information Bottleneck principles. Departing from mainstream feature manipulation, InfoCom introduces a novel information purification paradigm that theoretically optimizes the extraction of minimal sufficient task-critical information under Information Bottleneck constraints. Its core innovations include: i) An Information-Aware Encoding condensing features into minimal messages while preserving perception-relevant information; ii) A Sparse Mask Generation identifying spatial cues with negligible communication cost; and iii) A Multi-Scale Decoding that progressively recovers perceptual information through mask-guided mechanisms rather than simple feature reconstruction. Comprehensive experiments across multiple datasets demonstrate that InfoCom achieves near-lossless perception while reducing communication overhead from megabyte to kilobyte-scale, representing 440-fold and 90-fold reductions per agent compared to Where2comm and ERMVP, respectively.

  • 5 authors
·
Dec 10, 2025

A Semantic Generalization of Shannon's Information Theory and Applications

Does semantic communication require a semantic information theory parallel to Shannon's information theory, or can Shannon's work be generalized for semantic communication? This paper advocates for the latter and introduces a semantic generalization of Shannon's information theory (G theory for short). The core idea is to replace the distortion constraint with the semantic constraint, achieved by utilizing a set of truth functions as a semantic channel. These truth functions enable the expressions of semantic distortion, semantic information measures, and semantic information loss. Notably, the maximum semantic information criterion is equivalent to the maximum likelihood criterion and similar to the Regularized Least Squares criterion. This paper shows G theory's applications to daily and electronic semantic communication, machine learning, constraint control, Bayesian confirmation, portfolio theory, and information value. The improvements in machine learning methods involve multilabel learning and classification, maximum mutual information classification, mixture models, and solving latent variables. Furthermore, insights from statistical physics are discussed: Shannon information is similar to free energy; semantic information to free energy in local equilibrium systems; and information efficiency to the efficiency of free energy in performing work. The paper also proposes refining Friston's minimum free energy principle into the maximum information efficiency principle. Lastly, it compares G theory with other semantic information theories and discusses its limitation in representing the semantics of complex data.

  • 1 authors
·
May 6, 2025