Daily Papers

Agents based on large language models have shown great potential in accelerating scientific discovery by leveraging their rich background knowledge and reasoning capabilities. In this paper, we introduce BioDiscoveryAgent, an agent that designs new experiments, reasons about their outcomes, and efficiently navigates the hypothesis space to reach desired solutions. We demonstrate our agent on the problem of designing genetic perturbation experiments, where the aim is to find a small subset out of many possible genes that, when perturbed, result in a specific phenotype (e.g., cell growth). Utilizing its biological knowledge, BioDiscoveryAgent can uniquely design new experiments without the need to train a machine learning model or explicitly design an acquisition function as in Bayesian optimization. Moreover, BioDiscoveryAgent, using Claude 3.5 Sonnet, achieves an average of 21% improvement in predicting relevant genetic perturbations across six datasets, and a 46% improvement in the harder task of non-essential gene perturbation, compared to existing Bayesian optimization baselines specifically trained for this task. Our evaluation includes one dataset that is unpublished, ensuring it is not part of the language model's training data. Additionally, BioDiscoveryAgent predicts gene combinations to perturb more than twice as accurately as a random baseline, a task so far not explored in the context of closed-loop experiment design. The agent also has access to tools for searching the biomedical literature, executing code to analyze biological datasets, and prompting another agent to critically evaluate its predictions. Overall, BioDiscoveryAgent is interpretable at every stage, representing an accessible new paradigm in the computational design of biological experiments with the potential to augment scientists' efficacy.

Reinforcement learning (RL) plays a crucial role in shaping the behavior of large language and reasoning models (LLMs/LRMs). However, it often produces brittle and unstable policies, leading to critical failures such as spurious reasoning, deceptive alignment, and instruction disobedience that undermine the trustworthiness and safety of LLMs/LRMs. Currently, these issues lack a unified theoretical explanation and are typically addressed using ad-hoc heuristics. This paper presents a rigorous mathematical framework for analyzing the stability of the mapping from a reward function to the optimal policy. We show that policy brittleness often stems from non-unique optimal actions, a common occurrence when multiple valid traces exist in a reasoning task. This theoretical lens provides a unified explanation for a range of seemingly disparate failures, reframing them as rational outcomes of optimizing rewards that may be incomplete or noisy, especially in the presence of action degeneracy. We extend this analysis from the fundamental single-reward setting to the more realistic multi-reward RL across diverse domains, showing how stability is governed by an "effective reward" aggregation mechanism. We also prove that entropy regularization restores policy stability at the cost of increased stochasticity. Our framework provides a unified explanation for recent empirical findings on deceptive reasoning, instruction-following trade-offs, and RLHF-induced sophistry, and is further validated through perturbation experiments in multi-reward RL. This work advances policy-stability analysis from empirical heuristics towards a principled theory, offering essential insights for designing safer and more trustworthy AI systems.

Latent tokens are gaining attention for enhancing reasoning in large language models (LLMs), yet their internal mechanisms remain unclear. This paper examines the problem from a reliability perspective, uncovering fundamental weaknesses: latent tokens function as uninterpretable placeholders rather than encoding faithful reasoning. While resistant to perturbation, they promote shortcut usage over genuine reasoning. We focus on Chain-of-Continuous-Thought (COCONUT), which claims better efficiency and stability than explicit Chain-of-Thought (CoT) while maintaining performance. We investigate this through two complementary approaches. First, steering experiments perturb specific token subsets, namely COCONUT and explicit CoT. Unlike CoT tokens, COCONUT tokens show minimal sensitivity to steering and lack reasoning-critical information. Second, shortcut experiments evaluate models under biased and out-of-distribution settings. Results on MMLU and HotpotQA demonstrate that COCONUT consistently exploits dataset artifacts, inflating benchmark performance without true reasoning. These findings reposition COCONUT as a pseudo-reasoning mechanism: it generates plausible traces that conceal shortcut dependence rather than faithfully representing reasoning processes.

Classifier-free guidance (CFG) has become an essential component of modern diffusion models to enhance both generation quality and alignment with input conditions. However, CFG requires specific training procedures and is limited to conditional generation. To address these limitations, we propose Token Perturbation Guidance (TPG), a novel method that applies perturbation matrices directly to intermediate token representations within the diffusion network. TPG employs a norm-preserving shuffling operation to provide effective and stable guidance signals that improve generation quality without architectural changes. As a result, TPG is training-free and agnostic to input conditions, making it readily applicable to both conditional and unconditional generation. We further analyze the guidance term provided by TPG and show that its effect on sampling more closely resembles CFG compared to existing training-free guidance techniques. Extensive experiments on SDXL and Stable Diffusion 2.1 show that TPG achieves nearly a 2times improvement in FID for unconditional generation over the SDXL baseline, while closely matching CFG in prompt alignment. These results establish TPG as a general, condition-agnostic guidance method that brings CFG-like benefits to a broader class of diffusion models. The code is available at https://github.com/TaatiTeam/Token-Perturbation-Guidance

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.

Lowering the memory requirement in full-parameter training on large models has become a hot research area. MeZO fine-tunes the large language models (LLMs) by just forward passes in a zeroth-order SGD optimizer (ZO-SGD), demonstrating excellent performance with the same GPU memory usage as inference. However, the simulated perturbation stochastic approximation for gradient estimate in MeZO leads to severe oscillations and incurs a substantial time overhead. Moreover, without momentum regularization, MeZO shows severe over-fitting problems. Lastly, the perturbation-irrelevant momentum on ZO-SGD does not improve the convergence rate. This study proposes ZO-AdaMU to resolve the above problems by adapting the simulated perturbation with momentum in its stochastic approximation. Unlike existing adaptive momentum methods, we relocate momentum on simulated perturbation in stochastic gradient approximation. Our convergence analysis and experiments prove this is a better way to improve convergence stability and rate in ZO-SGD. Extensive experiments demonstrate that ZO-AdaMU yields better generalization for LLMs fine-tuning across various NLP tasks than MeZO and its momentum variants.

With the increasing capabilities of large language models (LLMs), these high-performance models have achieved state-of-the-art results on a wide range of natural language processing (NLP) tasks. However, the models' performance on commonly-used benchmark datasets often fails to accurately reflect their reliability and robustness when applied to real-world noisy data. To address these challenges, we propose a unified robustness evaluation framework based on the slot-filling task to systematically evaluate the dialogue understanding capability of LLMs in diverse input perturbation scenarios. Specifically, we construct a input perturbation evaluation dataset, Noise-LLM, which contains five types of single perturbation and four types of mixed perturbation data. Furthermore, we utilize a multi-level data augmentation method (character, word, and sentence levels) to construct a candidate data pool, and carefully design two ways of automatic task demonstration construction strategies (instance-level and entity-level) with various prompt templates. Our aim is to assess how well various robustness methods of LLMs perform in real-world noisy scenarios. The experiments have demonstrated that the current open-source LLMs generally achieve limited perturbation robustness performance. Based on these experimental observations, we make some forward-looking suggestions to fuel the research in this direction.

The pre-trained vision and language (V\&L) models have substantially improved the performance of cross-modal image-text retrieval. In general, however, V\&L models have limited retrieval performance for small objects because of the rough alignment between words and the small objects in the image. In contrast, it is known that human cognition is object-centric, and we pay more attention to important objects, even if they are small. To bridge this gap between the human cognition and the V\&L model's capability, we propose a cross-modal image-text retrieval framework based on ``object-aware query perturbation.'' The proposed method generates a key feature subspace of the detected objects and perturbs the corresponding queries using this subspace to improve the object awareness in the image. In our proposed method, object-aware cross-modal image-text retrieval is possible while keeping the rich expressive power and retrieval performance of existing V\&L models without additional fine-tuning. Comprehensive experiments on four public datasets show that our method outperforms conventional algorithms.

Domain generalization (DG) aims to learn a robust model from source domains that generalize well on unseen target domains. Recent studies focus on generating novel domain samples or features to diversify distributions complementary to source domains. Yet, these approaches can hardly deal with the restriction that the samples synthesized from various domains can cause semantic distortion. In this paper, we propose an online one-stage Cross Contrasting Feature Perturbation (CCFP) framework to simulate domain shift by generating perturbed features in the latent space while regularizing the model prediction against domain shift. Different from the previous fixed synthesizing strategy, we design modules with learnable feature perturbations and semantic consistency constraints. In contrast to prior work, our method does not use any generative-based models or domain labels. We conduct extensive experiments on a standard DomainBed benchmark with a strict evaluation protocol for a fair comparison. Comprehensive experiments show that our method outperforms the previous state-of-the-art, and quantitative analyses illustrate that our approach can alleviate the domain shift problem in out-of-distribution (OOD) scenarios.

Training deep neural networks for classification often includes minimizing the training loss beyond the zero training error point. In this phase of training, a "neural collapse" behavior has been observed: the variability of features (outputs of the penultimate layer) of within-class samples decreases and the mean features of different classes approach a certain tight frame structure. Recent works analyze this behavior via idealized unconstrained features models where all the minimizers exhibit exact collapse. However, with practical networks and datasets, the features typically do not reach exact collapse, e.g., because deep layers cannot arbitrarily modify intermediate features that are far from being collapsed. In this paper, we propose a richer model that can capture this phenomenon by forcing the features to stay in the vicinity of a predefined features matrix (e.g., intermediate features). We explore the model in the small vicinity case via perturbation analysis and establish results that cannot be obtained by the previously studied models. For example, we prove reduction in the within-class variability of the optimized features compared to the predefined input features (via analyzing gradient flow on the "central-path" with minimal assumptions), analyze the minimizers in the near-collapse regime, and provide insights on the effect of regularization hyperparameters on the closeness to collapse. We support our theory with experiments in practical deep learning settings.

Overfitting widely exists in adversarial robust training of deep networks. An effective remedy is adversarial weight perturbation, which injects the worst-case weight perturbation during network training by maximizing the classification loss on adversarial examples. Adversarial weight perturbation helps reduce the robust generalization gap; however, it also undermines the robustness improvement. A criterion that regulates the weight perturbation is therefore crucial for adversarial training. In this paper, we propose such a criterion, namely Loss Stationary Condition (LSC) for constrained perturbation. With LSC, we find that it is essential to conduct weight perturbation on adversarial data with small classification loss to eliminate robust overfitting. Weight perturbation on adversarial data with large classification loss is not necessary and may even lead to poor robustness. Based on these observations, we propose a robust perturbation strategy to constrain the extent of weight perturbation. The perturbation strategy prevents deep networks from overfitting while avoiding the side effect of excessive weight perturbation, significantly improving the robustness of adversarial training. Extensive experiments demonstrate the superiority of the proposed method over the state-of-the-art adversarial training methods.

The study on improving the robustness of deep neural networks against adversarial examples grows rapidly in recent years. Among them, adversarial training is the most promising one, which flattens the input loss landscape (loss change with respect to input) via training on adversarially perturbed examples. However, how the widely used weight loss landscape (loss change with respect to weight) performs in adversarial training is rarely explored. In this paper, we investigate the weight loss landscape from a new perspective, and identify a clear correlation between the flatness of weight loss landscape and robust generalization gap. Several well-recognized adversarial training improvements, such as early stopping, designing new objective functions, or leveraging unlabeled data, all implicitly flatten the weight loss landscape. Based on these observations, we propose a simple yet effective Adversarial Weight Perturbation (AWP) to explicitly regularize the flatness of weight loss landscape, forming a double-perturbation mechanism in the adversarial training framework that adversarially perturbs both inputs and weights. Extensive experiments demonstrate that AWP indeed brings flatter weight loss landscape and can be easily incorporated into various existing adversarial training methods to further boost their adversarial robustness.

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.

Off-policy problems such as policy staleness and training-inference mismatch, has become a major bottleneck for training stability and further exploration for LLM RL. To enhance inference efficiency, the distribution gap between the inference and updated policy grows, leading to heavy-tailed importance ratios. Heavy-tailed ratios arise when the policy is locally sharp, which further inflates sharp gradients and can push updates outside the trust region. To address this, we propose Adaptive Layerwise Perturbation(ALP) by injecting small learnable perturbations into input hidden states of each layer during updates, which is used as the numerator of the importance ratio against the unchanged inference policy in the objective. Intuitively, by adding controlled noise to intermediate representations, ALP prevents the updated policy from deviating too sharply from the inference policy, and enlarges the policy family to cover the inference policy family with mismatch noises. Hence, the flattened distribution can naturally tighten the updated and inference policy gap and reduce the tail of importance ratios, thus maintaining training stability. This is further validated empirically. Experiments on single-turn math and multi-turn tool-integrated reasoning tasks show that ALP not only improves final performance, but also avoid blow up of importance ratio tail and KL spikes during iterative training, along with boosted exploration. Ablations show that representation-level perturbations across all layers are most effective, substantially outperforming partial-layer and logits-only variants.

Vision Transformers (ViTs) have become one of the most commonly used backbones for vision tasks. Despite their remarkable performance, they often suffer significant accuracy drops when quantized for practical deployment, particularly by post-training quantization (PTQ) under ultra-low bits. Recently, reconstruction-based PTQ methods have shown promising performance in quantizing Convolutional Neural Networks (CNNs). However, they fail when applied to ViTs, primarily due to the inaccurate estimation of output importance and the substantial accuracy degradation in quantizing post-GELU activations. To address these issues, we propose APHQ-ViT, a novel PTQ approach based on importance estimation with Average Perturbation Hessian (APH). Specifically, we first thoroughly analyze the current approximation approaches with Hessian loss, and propose an improved average perturbation Hessian loss. To deal with the quantization of the post-GELU activations, we design an MLP Reconstruction (MR) method by replacing the GELU function in MLP with ReLU and reconstructing it by the APH loss on a small unlabeled calibration set. Extensive experiments demonstrate that APHQ-ViT using linear quantizers outperforms existing PTQ methods by substantial margins in 3-bit and 4-bit across different vision tasks. The source code is available at https://github.com/GoatWu/APHQ-ViT.

Medical image segmentation is a critical component of clinical workflows, enabling accurate diagnosis, treatment planning, and disease monitoring. However, despite the superior performance of transformer-based models over convolutional architectures, their limited interpretability remains a major obstacle to clinical trust and deployment. Existing explainable artificial intelligence (XAI) techniques, including gradient-based saliency methods and perturbation-based approaches, are often computationally expensive, require numerous forward passes, and frequently produce noisy or anatomically irrelevant explanations. To address these limitations, we propose XAI-CLIP, an ROI-guided perturbation framework that leverages multimodal vision-language model embeddings to localize clinically meaningful anatomical regions and guide the explanation process. By integrating language-informed region localization with medical image segmentation and applying targeted, region-aware perturbations, the proposed method generates clearer, boundary-aware saliency maps while substantially reducing computational overhead. Experiments conducted on the FLARE22 and CHAOS datasets demonstrate that XAI-CLIP achieves up to a 60\% reduction in runtime, a 44.6\% improvement in dice score, and a 96.7\% increase in Intersection-over-Union for occlusion-based explanations compared to conventional perturbation methods. Qualitative results further confirm cleaner and more anatomically consistent attribution maps with fewer artifacts, highlighting that the incorporation of multimodal vision-language representations into perturbation-based XAI frameworks significantly enhances both interpretability and efficiency, thereby enabling transparent and clinically deployable medical image segmentation systems.

Out-of-distribution (OOD) detection is the task of identifying inputs that deviate from the training data distribution. This capability is essential for safely deploying deep computer vision models in open-world environments. In this work, we propose a post-hoc method, Perturbation-Rectified OOD detection (PRO), based on the insight that prediction confidence for OOD inputs is more susceptible to reduction under perturbation than in-distribution (IND) inputs. Based on the observation, we propose an adversarial score function that searches for the local minimum scores near the original inputs by applying gradient descent. This procedure enhances the separability between IND and OOD samples. Importantly, the approach improves OOD detection performance without complex modifications to the underlying model architectures. We conduct extensive experiments using the OpenOOD benchmark~yang2022openood. Our approach further pushes the limit of softmax-based OOD detection and is the leading post-hoc method for small-scale models. On a CIFAR-10 model with adversarial training, PRO effectively detects near-OOD inputs, achieving a reduction of more than 10\% on FPR@95 compared to state-of-the-art methods.

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.

As Large Language Models (LLMs) are increasingly deployed in specialized domains with continuously evolving knowledge, the need for timely and precise knowledge injection has become essential. Fine-tuning with paraphrased data is a common approach to enhance knowledge injection, yet it faces two significant challenges: high computational costs due to repetitive external model usage and limited sample diversity. To this end, we introduce LaPael, a latent-level paraphrasing method that applies input-dependent noise to early LLM layers. This approach enables diverse and semantically consistent augmentations directly within the model. Furthermore, it eliminates the recurring costs of paraphrase generation for each knowledge update. Our extensive experiments on question-answering benchmarks demonstrate that LaPael improves knowledge injection over standard fine-tuning and existing noise-based approaches. Additionally, combining LaPael with data-level paraphrasing further enhances performance.

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.

Deep neural networks are vulnerable to universal adversarial perturbation (UAP), an instance-agnostic perturbation capable of fooling the target model for most samples. Compared to instance-specific adversarial examples, UAP is more challenging as it needs to generalize across various samples and models. In this paper, we examine the serious dilemma of UAP generation methods from a generalization perspective -- the gradient vanishing problem using small-batch stochastic gradient optimization and the local optima problem using large-batch optimization. To address these problems, we propose a simple and effective method called Stochastic Gradient Aggregation (SGA), which alleviates the gradient vanishing and escapes from poor local optima at the same time. Specifically, SGA employs the small-batch training to perform multiple iterations of inner pre-search. Then, all the inner gradients are aggregated as a one-step gradient estimation to enhance the gradient stability and reduce quantization errors. Extensive experiments on the standard ImageNet dataset demonstrate that our method significantly enhances the generalization ability of UAP and outperforms other state-of-the-art methods. The code is available at https://github.com/liuxuannan/Stochastic-Gradient-Aggregation.

Effective regularization techniques are highly desired in deep learning for alleviating overfitting and improving generalization. This work proposes a new regularization scheme, based on the understanding that the flat local minima of the empirical risk cause the model to generalize better. This scheme is referred to as adversarial model perturbation (AMP), where instead of directly minimizing the empirical risk, an alternative "AMP loss" is minimized via SGD. Specifically, the AMP loss is obtained from the empirical risk by applying the "worst" norm-bounded perturbation on each point in the parameter space. Comparing with most existing regularization schemes, AMP has strong theoretical justifications, in that minimizing the AMP loss can be shown theoretically to favour flat local minima of the empirical risk. Extensive experiments on various modern deep architectures establish AMP as a new state of the art among regularization schemes. Our code is available at https://github.com/hiyouga/AMP-Regularizer.

Vector Quantized Variational Autoencoders (VQ-VAEs) are fundamental to modern generative modeling, yet they often suffer from training instability and "codebook collapse" due to the inherent coupling of representation learning and discrete codebook optimization. In this paper, we propose VP-VAE (Vector Perturbation VAE), a novel paradigm that decouples representation learning from discretization by eliminating the need for an explicit codebook during training. Our key insight is that, from the neural network's viewpoint, performing quantization primarily manifests as injecting a structured perturbation in latent space. Accordingly, VP-VAE replaces the non-differentiable quantizer with distribution-consistent and scale-adaptive latent perturbations generated via Metropolis--Hastings sampling. This design enables stable training without a codebook while making the model robust to inference-time quantization error. Moreover, under the assumption of approximately uniform latent variables, we derive FSP (Finite Scalar Perturbation), a lightweight variant of VP-VAE that provides a unified theoretical explanation and a practical improvement for FSQ-style fixed quantizers. Extensive experiments on image and audio benchmarks demonstrate that VP-VAE and FSP improve reconstruction fidelity and achieve substantially more balanced token usage, while avoiding the instability inherent to coupled codebook training.

Text-to-video retrieval requires precise alignment between language and temporally rich video signals. Existing methods predominantly exploit visual cues and often overlook complementary audio semantics or adopt coarse fusion strategies, leading to suboptimal multimodal representations. We present GAID, a framework that jointly address this gap via two key components: (i) a Frame-level Gated Fusion (FGF) that adaptively integrates audio and visual features under textual guidance, enabling fine-grained temporal alignment; and (ii) a Directional Adaptive Semantic Perturbation (DASP) that injects structure-aware perturbations into text embeddings, enhancing robustness and discrimination without incurring multi-pass inference. These modules complement each other -- fusion reduces modality gaps while perturbation regularizes cross-modal matching -- yielding more stable and expressive representations. Extensive experiments on MSR-VTT, DiDeMo, LSMDC, and VATEX show consistent state-of-the-art results across all retrieval metrics with notable efficiency gains. Our code is available at https://github.com/YangBowenn/GAID.

Planning effective interventions in biological systems requires treatment-effect models that adapt to unseen biological contexts by identifying their specific underlying mechanisms. Yet single-cell perturbation datasets span only a handful of biological contexts, and existing methods cannot leverage new interventional evidence at inference time to adapt beyond their training data. To meta-learn a perturbation effect estimator, we present MapPFN, a prior-data fitted network (PFN) pretrained on synthetic data generated from a prior over causal perturbations. Given a set of experiments, MapPFN uses in-context learning to predict post-perturbation distributions, without gradient-based optimization. Despite being pretrained on in silico gene knockouts alone, MapPFN identifies differentially expressed genes, matching the performance of models trained on real single-cell data. Our code and data are available at https://github.com/marvinsxtr/MapPFN.

Multimodal large language models (MLLMs) have achieved impressive performance across diverse tasks by jointly reasoning over textual and visual inputs. Despite their success, these models remain highly vulnerable to adversarial manipulations, raising concerns about their safety and reliability in deployment. In this work, we first generalize an approach for generating adversarial images within the HuggingFace ecosystem and then introduce SmoothGuard, a lightweight and model-agnostic defense framework that enhances the robustness of MLLMs through randomized noise injection and clustering-based prediction aggregation. Our method perturbs continuous modalities (e.g., images and audio) with Gaussian noise, generates multiple candidate outputs, and applies embedding-based clustering to filter out adversarially influenced predictions. The final answer is selected from the majority cluster, ensuring stable responses even under malicious perturbations. Extensive experiments on POPE, LLaVA-Bench (In-the-Wild), and MM-SafetyBench demonstrate that SmoothGuard improves resilience to adversarial attacks while maintaining competitive utility. Ablation studies further identify an optimal noise range (0.1-0.2) that balances robustness and utility.

Jailbreak attacks against multimodal large language Models (MLLMs) are a significant research focus. Current research predominantly focuses on maximizing attack success rate (ASR), often overlooking whether the generated responses actually fulfill the attacker's malicious intent. This oversight frequently leads to low-quality outputs that bypass safety filters but lack substantial harmful content. To address this gap, we propose JPS, Jailbreak MLLMs with collaborative visual Perturbation and textual Steering, which achieves jailbreaks via corporation of visual image and textually steering prompt. Specifically, JPS utilizes target-guided adversarial image perturbations for effective safety bypass, complemented by "steering prompt" optimized via a multi-agent system to specifically guide LLM responses fulfilling the attackers' intent. These visual and textual components undergo iterative co-optimization for enhanced performance. To evaluate the quality of attack outcomes, we propose the Malicious Intent Fulfillment Rate (MIFR) metric, assessed using a Reasoning-LLM-based evaluator. Our experiments show JPS sets a new state-of-the-art in both ASR and MIFR across various MLLMs and benchmarks, with analyses confirming its efficacy. Codes are available at https://github.com/thu-coai/JPS{https://github.com/thu-coai/JPS}. warningcolor{Warning: This paper contains potentially sensitive contents.}

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.

Transformers have been shown to be able to perform deductive reasoning on a logical rulebase containing rules and statements written in English natural language. While the progress is promising, it is currently unclear if these models indeed perform logical reasoning by understanding the underlying logical semantics in the language. To this end, we propose RobustLR, a suite of evaluation datasets that evaluate the robustness of these models to minimal logical edits in rulebases and some standard logical equivalence conditions. In our experiments with RoBERTa and T5, we find that the models trained in prior works do not perform consistently on the different perturbations in RobustLR, thus showing that the models are not robust to the proposed logical perturbations. Further, we find that the models find it especially hard to learn logical negation and disjunction operators. Overall, using our evaluation sets, we demonstrate some shortcomings of the deductive reasoning-based language models, which can eventually help towards designing better models for logical reasoning over natural language. All the datasets and code base have been made publicly available.

Human action understanding is crucial for the advancement of multimodal systems. While recent developments, driven by powerful large language models (LLMs), aim to be general enough to cover a wide range of categories, they often overlook the need for more specific capabilities. In this work, we address the more challenging task of Fine-grained Action Recognition (FAR), which focuses on detailed semantic labels within shorter temporal duration (e.g., "salto backward tucked with 1 turn"). Given the high costs of annotating fine-grained labels and the substantial data needed for fine-tuning LLMs, we propose to adopt semi-supervised learning (SSL). Our framework, SeFAR, incorporates several innovative designs to tackle these challenges. Specifically, to capture sufficient visual details, we construct Dual-level temporal elements as more effective representations, based on which we design a new strong augmentation strategy for the Teacher-Student learning paradigm through involving moderate temporal perturbation. Furthermore, to handle the high uncertainty within the teacher model's predictions for FAR, we propose the Adaptive Regulation to stabilize the learning process. Experiments show that SeFAR achieves state-of-the-art performance on two FAR datasets, FineGym and FineDiving, across various data scopes. It also outperforms other semi-supervised methods on two classical coarse-grained datasets, UCF101 and HMDB51. Further analysis and ablation studies validate the effectiveness of our designs. Additionally, we show that the features extracted by our SeFAR could largely promote the ability of multimodal foundation models to understand fine-grained and domain-specific semantics.

Object swapping aims to replace a source object in a scene with a reference object while preserving object fidelity, scene fidelity, and object-scene harmony. Existing methods either require per-object finetuning and slow inference or rely on extra paired data that mostly depict the same object across contexts, forcing models to rely on background cues rather than learning cross-object alignment. We propose SourceSwap, a self-supervised and source-aware framework that learns cross-object alignment. Our key insight is to synthesize high-quality pseudo pairs from any image via a frequency-separated perturbation in the initial-noise space, which alters appearance while preserving pose, coarse shape, and scene layout, requiring no videos, multi-view data, or additional images. We then train a dual U-Net with full-source conditioning and a noise-free reference encoder, enabling direct inter-object alignment, zero-shot inference without per-object finetuning, and lightweight iterative refinement. We further introduce SourceBench, a high-quality benchmark with higher resolution, more categories, and richer interactions. Experiments demonstrate that SourceSwap achieves superior fidelity, stronger scene preservation, and more natural harmony, and it transfers well to edits such as subject-driven refinement and face swapping.

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.

Large Language Models (LLMs) have achieved remarkable success in natural language processing, but their full fine-tuning remains resource-intensive. Parameter-Efficient Fine-Tuning (PEFT) methods, such as Low-Rank Adaptation (LoRA), have emerged as a practical solution by approximating parameter updates with low-rank matrices. However, LoRA often exhibits a "double descent" phenomenon during fine-tuning, where model performance degrades due to overfitting and limited expressiveness caused by low-rank constraints. To address this issue, we propose LoRA-GGPO (Gradient-Guided Perturbation Optimization), a novel method that leverages gradient and weight norms to generate targeted perturbations. By optimizing the sharpness of the loss landscape, LoRA-GGPO guides the model toward flatter minima, mitigating the double descent problem and improving generalization. Extensive experiments on natural language understanding (NLU) and generation (NLG) tasks demonstrate that LoRA-GGPO outperforms LoRA and its state-of-the-art variants. Furthermore, extended experiments specifically designed to analyze the double descent phenomenon confirm that LoRA-GGPO effectively alleviates this issue, producing more robust and generalizable models. Our work provides a robust and efficient solution for fine-tuning LLMs, with broad applicability in real-world scenarios. The code is available at https://github.com/llm172/LoRA-GGPO.

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.

Diffusion models have emerged as powerful tools for generative tasks, producing high-quality outputs across diverse domains. However, how the generated data responds to the initial noise perturbation in diffusion models remains under-explored, which hinders understanding the controllability of the sampling process. In this work, we first observe an interesting phenomenon: the relationship between the change of generation outputs and the scale of initial noise perturbation is highly linear through the diffusion ODE sampling. Then we provide both theoretical and empirical study to justify this linearity property of this input-output (noise-generation data) relationship. Inspired by these new insights, we propose a novel Controllable and Constrained Sampling method (CCS) together with a new controller algorithm for diffusion models to sample with desired statistical properties while preserving good sample quality. We perform extensive experiments to compare our proposed sampling approach with other methods on both sampling controllability and sampled data quality. Results show that our CCS method achieves more precisely controlled sampling while maintaining superior sample quality and diversity.

Cross-domain speech enhancement (SE) is often faced with severe challenges due to the scarcity of noise and background information in an unseen target domain, leading to a mismatch between training and test conditions. This study puts forward a novel data simulation method to address this issue, leveraging noise-extractive techniques and generative adversarial networks (GANs) with only limited target noisy speech data. Notably, our method employs a noise encoder to extract noise embeddings from target-domain data. These embeddings aptly guide the generator to synthesize utterances acoustically fitted to the target domain while authentically preserving the phonetic content of the input clean speech. Furthermore, we introduce the notion of dynamic stochastic perturbation, which can inject controlled perturbations into the noise embeddings during inference, thereby enabling the model to generalize well to unseen noise conditions. Experiments on the VoiceBank-DEMAND benchmark dataset demonstrate that our domain-adaptive SE method outperforms an existing strong baseline based on data simulation.

This paper investigates the problem of forecasting multivariate aggregated human mobility while preserving the privacy of the individuals concerned. Differential privacy, a state-of-the-art formal notion, has been used as the privacy guarantee in two different and independent steps when training deep learning models. On one hand, we considered gradient perturbation, which uses the differentially private stochastic gradient descent algorithm to guarantee the privacy of each time series sample in the learning stage. On the other hand, we considered input perturbation, which adds differential privacy guarantees in each sample of the series before applying any learning. We compared four state-of-the-art recurrent neural networks: Long Short-Term Memory, Gated Recurrent Unit, and their Bidirectional architectures, i.e., Bidirectional-LSTM and Bidirectional-GRU. Extensive experiments were conducted with a real-world multivariate mobility dataset, which we published openly along with this paper. As shown in the results, differentially private deep learning models trained under gradient or input perturbation achieve nearly the same performance as non-private deep learning models, with loss in performance varying between 0.57% to 2.8%. The contribution of this paper is significant for those involved in urban planning and decision-making, providing a solution to the human mobility multivariate forecast problem through differentially private deep learning models.

Catastrophic overfitting (CO) presents a significant challenge in single-step adversarial training (AT), manifesting as highly distorted deep neural networks (DNNs) that are vulnerable to multi-step adversarial attacks. However, the underlying factors that lead to the distortion of decision boundaries remain unclear. In this work, we delve into the specific changes within different DNN layers and discover that during CO, the former layers are more susceptible, experiencing earlier and greater distortion, while the latter layers show relative insensitivity. Our analysis further reveals that this increased sensitivity in former layers stems from the formation of pseudo-robust shortcuts, which alone can impeccably defend against single-step adversarial attacks but bypass genuine-robust learning, resulting in distorted decision boundaries. Eliminating these shortcuts can partially restore robustness in DNNs from the CO state, thereby verifying that dependence on them triggers the occurrence of CO. This understanding motivates us to implement adaptive weight perturbations across different layers to hinder the generation of pseudo-robust shortcuts, consequently mitigating CO. Extensive experiments demonstrate that our proposed method, Layer-Aware Adversarial Weight Perturbation (LAP), can effectively prevent CO and further enhance robustness.

Uncertainty estimation is essential for the safe clinical deployment of medical image segmentation systems, enabling the identification of unreliable predictions and supporting human oversight. While prior work has largely focused on pixel-level uncertainty, landmark-based segmentation offers inherent topological guarantees yet remains underexplored from an uncertainty perspective. In this work, we study uncertainty estimation for anatomical landmark-based segmentation on chest X-rays. Inspired by hybrid neural network architectures that combine standard image convolutional encoders with graph-based generative decoders, and leveraging their variational latent space, we derive two complementary measures: (i) latent uncertainty, captured directly from the learned distribution parameters, and (ii) predictive uncertainty, obtained by generating multiple stochastic output predictions from latent samples. Through controlled corruption experiments we show that both uncertainty measures increase with perturbation severity, reflecting both global and local degradation. We demonstrate that these uncertainty signals can identify unreliable predictions by comparing with manual ground-truth, and support out-of-distribution detection on the CheXmask dataset. More importantly, we release CheXmask-U (huggingface.co/datasets/mcosarinsky/CheXmask-U), a large scale dataset of 657,566 chest X-ray landmark segmentations with per-node uncertainty estimates, enabling researchers to account for spatial variations in segmentation quality when using these anatomical masks. Our findings establish uncertainty estimation as a promising direction to enhance robustness and safe deployment of landmark-based anatomical segmentation methods in chest X-ray. A fully working interactive demo of the method is available at huggingface.co/spaces/matiasky/CheXmask-U and the source code at github.com/mcosarinsky/CheXmask-U.

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.

Analysis of 3D segmentation models, especially in the context of medical imaging, is often limited to segmentation performance metrics that overlook the crucial aspect of explainability and bias. Currently, effectively explaining these models with saliency maps is challenging due to the high dimensions of input images multiplied by the ever-growing number of segmented class labels. To this end, we introduce Agg^2Exp, a methodology for aggregating fine-grained voxel attributions of the segmentation model's predictions. Unlike classical explanation methods that primarily focus on the local feature attribution, Agg^2Exp enables a more comprehensive global view on the importance of predicted segments in 3D images. Our benchmarking experiments show that gradient-based voxel attributions are more faithful to the model's predictions than perturbation-based explanations. As a concrete use-case, we apply Agg^2Exp to discover knowledge acquired by the Swin UNEt TRansformer model trained on the TotalSegmentator v2 dataset for segmenting anatomical structures in computed tomography medical images. Agg^2Exp facilitates the explanatory analysis of large segmentation models beyond their predictive performance.

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.

The evaluation of Retrieval-Augmented Generation (RAG) systems typically examines retrieval quality and generation parameters like temperature in isolation, overlooking their interaction. This work presents a systematic investigation of how text perturbations (simulating noisy retrieval) interact with temperature settings across multiple LLM runs. We propose a comprehensive RAG Perturbation-Temperature Analysis Framework that subjects retrieved documents to three distinct perturbation types across varying temperature settings. Through extensive experiments on HotpotQA with both open-source and proprietary LLMs, we demonstrate that performance degradation follows distinct patterns: high-temperature settings consistently amplify vulnerability to perturbations, while certain perturbation types exhibit non-linear sensitivity across the temperature range. Our work yields three key contributions: (1) a diagnostic benchmark for assessing RAG robustness, (2) an analytical framework for quantifying perturbation-temperature interactions, and (3) practical guidelines for model selection and parameter tuning under noisy retrieval conditions.

Recent advancements in Large Vision-Language Models (LVLMs) have demonstrated remarkable multimodal perception capabilities, garnering significant attention. While numerous evaluation studies have emerged, assessing LVLMs both holistically and on specialized tasks, fine-grained image tasks-fundamental to computer vision-remain largely unexplored. To fill this gap, we introduce a comprehensive fine-grained evaluation benchmark, i.e., FG-BMK, comprising 1.01 million questions and 0.33 million images. Our evaluation systematically examines LVLMs from both human-oriented and machine-oriented perspectives, focusing on their semantic recognition and fine-grained feature representation capabilities. Through extensive experiments on twelve representative LVLMs/VLMs, we uncover key findings regarding the influence of training paradigms, modality alignment, perturbation susceptibility, and fine-grained category reasoning on task performance. This work provides critical insights into the limitations of current LVLMs and offers guidance for future data construction and model design in the development of more advanced LVLMs. Our code is open-source and available at https://github.com/SEU-VIPGroup/FG-BMK.

A low frequency stochastic background of gravitational waves may be detected by pulsar timing experiments in the next five to ten years. Using methods developed to analyze interferometric gravitational wave data, in this paper we lay out the optimal techniques to detect a background of gravitational waves using a pulsar timing array. We show that for pulsar distances and gravitational wave frequencies typical of pulsar timing experiments, neglecting the effect of the metric perturbation at the pulsar does not result in a significant deviation from optimality. We discuss methods for setting upper limits using the optimal statistic, show how to construct skymaps using the pulsar timing array, and consider several issues associated with realistic analysis of pulsar timing data.

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.

Perturbation-based post-hoc image explanation methods are commonly used to explain image prediction models. These methods perturb parts of the input to measure how those parts affect the output. Since the methods only require the input and output, they can be applied to any model, making them a popular choice to explain black-box models. While many different methods exist and have been compared with one another, it remains poorly understood which parameters of the different methods are responsible for their varying performance. This work uses the Randomized Input Sampling for Explanations (RISE) method as a baseline to evaluate many combinations of mask sampling, segmentation techniques, smoothing, attribution calculation, and per-segment or per-pixel attribution, using a proxy metric. The results show that attribution calculation, which is frequently the focus of other works, has little impact on the results. Conversely, segmentation and per-pixel attribution, rarely examined parameters, have a significant impact. The implementation of and data gathered in this work are available online: https://github.com/guspih/post-hoc-image-perturbation and https://bit.ly/smooth-mask-perturbation.

The problem of attribution is concerned with identifying the parts of an input that are responsible for a model's output. An important family of attribution methods is based on measuring the effect of perturbations applied to the input. In this paper, we discuss some of the shortcomings of existing approaches to perturbation analysis and address them by introducing the concept of extremal perturbations, which are theoretically grounded and interpretable. We also introduce a number of technical innovations to compute extremal perturbations, including a new area constraint and a parametric family of smooth perturbations, which allow us to remove all tunable hyper-parameters from the optimization problem. We analyze the effect of perturbations as a function of their area, demonstrating excellent sensitivity to the spatial properties of the deep neural network under stimulation. We also extend perturbation analysis to the intermediate layers of a network. This application allows us to identify the salient channels necessary for classification, which, when visualized using feature inversion, can be used to elucidate model behavior. Lastly, we introduce TorchRay, an interpretability library built on PyTorch.

Instruction-tuning plays a vital role in enhancing the task-solving abilities of large language models (LLMs), improving their usability in generating helpful responses on various tasks. However, previous work has demonstrated that they are sensitive to minor variations in instruction phrasing. In this paper, we explore whether introducing perturbations in instruction-tuning data can enhance LLMs' resistance against noisy instructions. We focus on how instruction-tuning with perturbations, such as removing stop words or shuffling words, affects LLMs' performance on the original and perturbed versions of widely-used benchmarks (MMLU, BBH, GSM8K). We further assess learning dynamics and potential shifts in model behavior. Surprisingly, our results suggest that instruction-tuning on perturbed instructions can, in some cases, improve downstream performance. These findings highlight the importance of including perturbed instructions in instruction-tuning, which can make LLMs more resilient to noisy user inputs.

Large language models have demonstrated impressive performance on challenging mathematical reasoning tasks, which has triggered the discussion of whether the performance is achieved by true reasoning capability or memorization. To investigate this question, prior work has constructed mathematical benchmarks when questions undergo simple perturbations -- modifications that still preserve the underlying reasoning patterns of the solutions. However, no work has explored hard perturbations, which fundamentally change the nature of the problem so that the original solution steps do not apply. To bridge the gap, we construct MATH-P-Simple and MATH-P-Hard via simple perturbation and hard perturbation, respectively. Each consists of 279 perturbed math problems derived from level-5 (hardest) problems in the MATH dataset (Hendrycksmath et. al., 2021). We observe significant performance drops on MATH-P-Hard across various models, including o1-mini (-16.49%) and gemini-2.0-flash-thinking (-12.9%). We also raise concerns about a novel form of memorization where models blindly apply learned problem-solving skills without assessing their applicability to modified contexts. This issue is amplified when using original problems for in-context learning. We call for research efforts to address this challenge, which is critical for developing more robust and reliable reasoning models.

Building a virtual cell capable of accurately simulating cellular behaviors in silico has long been a dream in computational biology. We introduce CellFlux, an image-generative model that simulates cellular morphology changes induced by chemical and genetic perturbations using flow matching. Unlike prior methods, CellFlux models distribution-wise transformations from unperturbed to perturbed cell states, effectively distinguishing actual perturbation effects from experimental artifacts such as batch effects -- a major challenge in biological data. Evaluated on chemical (BBBC021), genetic (RxRx1), and combined perturbation (JUMP) datasets, CellFlux generates biologically meaningful cell images that faithfully capture perturbation-specific morphological changes, achieving a 35% improvement in FID scores and a 12% increase in mode-of-action prediction accuracy over existing methods. Additionally, CellFlux enables continuous interpolation between cellular states, providing a potential tool for studying perturbation dynamics. These capabilities mark a significant step toward realizing virtual cell modeling for biomedical research. Project page: https://yuhui-zh15.github.io/CellFlux/.

High-resolution brain imaging can now capture not just synapse locations but their molecular composition, with the cost of such mapping falling exponentially. Yet such ultrastructural data has so far told us little about local neuronal physiology - specifically, the parameters (e.g., synaptic efficacies, local conductances) that govern neural dynamics. We propose to translate molecularly annotated ultrastructure into physiology, introducing the concept of an ultrastructure-to-dynamics compiler: a learned mapping from molecularly annotated ultrastructure to simulator-ready, uncertainty-aware physiological parameters. The requirement is paired training data, with jointly acquired ultrastructure from imaging, and dynamical responses to perturbations from physiological experiments. With this data we can train models that predict local physiology directly from structure. Such a compiler would support biophysical simulations by turning anatomical maps into models of circuit dynamics, shifting structure-to-function from a descriptive program to a predictive one and opening routes to understanding neural computation and forecasting intervention effects.

Flow-based generative models have been employed for sampling the Boltzmann distribution, but their application to high-dimensional systems is hindered by the significant computational cost of obtaining the Jacobian of the flow. To overcome this challenge, we introduce the flow perturbation method, which incorporates optimized stochastic perturbations into the flow. By reweighting trajectories generated by the perturbed flow, our method achieves unbiased sampling of the Boltzmann distribution with orders of magnitude speedup compared to both brute force Jacobian calculations and the Hutchinson estimator. Notably, it accurately sampled the Chignolin protein with all atomic Cartesian coordinates explicitly represented, which, to our best knowledge, is the largest molecule ever Boltzmann sampled in such detail using generative models.

High-throughput screening techniques, such as microscopy imaging of cellular responses to genetic and chemical perturbations, play a crucial role in drug discovery and biomedical research. However, robust perturbation screening for de novo cell lines remains challenging due to the significant morphological and biological heterogeneity across cell lines. To address this, we propose a novel framework that integrates external biological knowledge into existing pretraining strategies to enhance microscopy image profiling models. Our approach explicitly disentangles perturbation-specific and cell line-specific representations using external biological information. Specifically, we construct a knowledge graph leveraging protein interaction data from STRING and Hetionet databases to guide models toward perturbation-specific features during pretraining. Additionally, we incorporate transcriptomic features from single-cell foundation models to capture cell line-specific representations. By learning these disentangled features, our method improves the generalization of imaging models to de novo cell lines. We evaluate our framework on the RxRx database through one-shot fine-tuning on an RxRx1 cell line and few-shot fine-tuning on cell lines from the RxRx19a dataset. Experimental results demonstrate that our method enhances microscopy image profiling for de novo cell lines, highlighting its effectiveness in real-world phenotype-based drug discovery applications.

Existing works have extensively studied adversarial examples, which are minimal perturbations that can mislead the output of deep neural networks (DNNs) while remaining imperceptible to humans. However, in this work, we reveal the existence of a harmless perturbation space, in which perturbations drawn from this space, regardless of their magnitudes, leave the network output unchanged when applied to inputs. Essentially, the harmless perturbation space emerges from the usage of non-injective functions (linear or non-linear layers) within DNNs, enabling multiple distinct inputs to be mapped to the same output. For linear layers with input dimensions exceeding output dimensions, any linear combination of the orthogonal bases of the nullspace of the parameter consistently yields no change in their output. For non-linear layers, the harmless perturbation space may expand, depending on the properties of the layers and input samples. Inspired by this property of DNNs, we solve for a family of general perturbation spaces that are redundant for the DNN's decision, and can be used to hide sensitive data and serve as a means of model identification. Our work highlights the distinctive robustness of DNNs (i.e., consistency under large magnitude perturbations) in contrast to adversarial examples (vulnerability for small imperceptible noises).

Wavefront shaping is a technique for directing light through turbid media. The theoretical aspects of wavefront shaping are well understood, and under near-ideal experimental conditions, accurate predictions for the expected signal enhancement can be given. In practice, however, there are many experimental factors that negatively affect the outcome of the experiment. Here, we present a comprehensive overview of these experimental factors, including the effect of sample scattering properties, noise, and response of the spatial light modulator. We present simple means to identify experimental imperfections and to minimize their negative effect on the outcome of the experiment. This paper is accompanied by Python code for automatically quantifying experimental problems using the OpenWFS framework for running and simulating wavefront shaping experiments.

To realize effective large-scale, real-world robotic applications, we must evaluate how well our robot policies adapt to changes in environmental conditions. Unfortunately, a majority of studies evaluate robot performance in environments closely resembling or even identical to the training setup. We present THE COLOSSEUM, a novel simulation benchmark, with 20 diverse manipulation tasks, that enables systematical evaluation of models across 14 axes of environmental perturbations. These perturbations include changes in color, texture, and size of objects, table-tops, and backgrounds; we also vary lighting, distractors, physical properties perturbations and camera pose. Using THE COLOSSEUM, we compare 5 state-of-the-art manipulation models to reveal that their success rate degrades between 30-50% across these perturbation factors. When multiple perturbations are applied in unison, the success rate degrades geq75%. We identify that changing the number of distractor objects, target object color, or lighting conditions are the perturbations that reduce model performance the most. To verify the ecological validity of our results, we show that our results in simulation are correlated (R^2 = 0.614) to similar perturbations in real-world experiments. We open source code for others to use THE COLOSSEUM, and also release code to 3D print the objects used to replicate the real-world perturbations. Ultimately, we hope that THE COLOSSEUM will serve as a benchmark to identify modeling decisions that systematically improve generalization for manipulation. See https://robot-colosseum.github.io/ for more details.

Perturbation-based explanation methods often measure the contribution of an input feature to an image classifier's outputs by heuristically removing it via e.g. blurring, adding noise, or graying out, which often produce unrealistic, out-of-samples. Instead, we propose to integrate a generative inpainter into three representative attribution methods to remove an input feature. Our proposed change improved all three methods in (1) generating more plausible counterfactual samples under the true data distribution; (2) being more accurate according to three metrics: object localization, deletion, and saliency metrics; and (3) being more robust to hyperparameter changes. Our findings were consistent across both ImageNet and Places365 datasets and two different pairs of classifiers and inpainters.

While reinforcement learning algorithms can learn effective policies for complex tasks, these policies are often brittle to even minor task variations, especially when variations are not explicitly provided during training. One natural approach to this problem is to train agents with manually specified variation in the training task or environment. However, this may be infeasible in practical situations, either because making perturbations is not possible, or because it is unclear how to choose suitable perturbation strategies without sacrificing performance. The key insight of this work is that learning diverse behaviors for accomplishing a task can directly lead to behavior that generalizes to varying environments, without needing to perform explicit perturbations during training. By identifying multiple solutions for the task in a single environment during training, our approach can generalize to new situations by abandoning solutions that are no longer effective and adopting those that are. We theoretically characterize a robustness set of environments that arises from our algorithm and empirically find that our diversity-driven approach can extrapolate to various changes in the environment and task.

Deep Learning using the eponymous deep neural networks (DNNs) has become an attractive approach towards various data-based problems of theoretical physics in the past decade. There has been a clear trend to deeper architectures containing increasingly more powerful and involved layers. Contrarily, Taylor coefficients of DNNs still appear mainly in the light of interpretability studies, where they are computed at most to first order. However, especially in theoretical physics numerous problems benefit from accessing higher orders, as well. This gap motivates a general formulation of neural network (NN) Taylor expansions. Restricting our analysis to multilayer perceptrons (MLPs) and introducing quantities we refer to as propagators and vertices, both depending on the MLP's weights and biases, we establish a graph-theoretical approach. Similarly to Feynman rules in quantum field theories, we can systematically assign diagrams containing propagators and vertices to the corresponding partial derivative. Examining this approach for S-wave scattering lengths of shallow potentials, we observe NNs to adapt their derivatives mainly to the leading order of the target function's Taylor expansion. To circumvent this problem, we propose an iterative NN perturbation theory. During each iteration we eliminate the leading order, such that the next-to-leading order can be faithfully learned during the subsequent iteration. After performing two iterations, we find that the first- and second-order Born terms are correctly adapted during the respective iterations. Finally, we combine both results to find a proxy that acts as a machine-learned second-order Born approximation.

It is not fully understood why adversarial examples can deceive neural networks and transfer between different networks. To elucidate this, several studies have hypothesized that adversarial perturbations, while appearing as noises, contain class features. This is supported by empirical evidence showing that networks trained on mislabeled adversarial examples can still generalize well to correctly labeled test samples. However, a theoretical understanding of how perturbations include class features and contribute to generalization is limited. In this study, we provide a theoretical framework for understanding learning from perturbations using a one-hidden-layer network trained on mutually orthogonal samples. Our results highlight that various adversarial perturbations, even perturbations of a few pixels, contain sufficient class features for generalization. Moreover, we reveal that the decision boundary when learning from perturbations matches that from standard samples except for specific regions under mild conditions. The code is available at https://github.com/s-kumano/learning-from-adversarial-perturbations.

Components of cyber physical systems, which affect real-world processes, are often exposed to the internet. Replacing conventional control methods with Deep Reinforcement Learning (DRL) in energy systems is an active area of research, as these systems become increasingly complex with the advent of renewable energy sources and the desire to improve their efficiency. Artificial Neural Networks (ANN) are vulnerable to specific perturbations of their inputs or features, called adversarial examples. These perturbations are difficult to detect when properly regularized, but have significant effects on the ANN's output. Because DRL uses ANN to map optimal actions to observations, they are similarly vulnerable to adversarial examples. This work proposes a novel attack technique for continuous control using Group Difference Logits loss with a bifurcation layer. By combining aspects of targeted and untargeted attacks, the attack significantly increases the impact compared to an untargeted attack, with drastically smaller distortions than an optimally targeted attack. We demonstrate the impacts of powerful gradient-based attacks in a realistic smart energy environment, show how the impacts change with different DRL agents and training procedures, and use statistical and time-series analysis to evaluate attacks' stealth. The results show that adversarial attacks can have significant impacts on DRL controllers, and constraining an attack's perturbations makes it difficult to detect. However, certain DRL architectures are far more robust, and robust training methods can further reduce the impact.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

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.

Latent diffusion models have emerged as the dominant framework for high-fidelity and efficient image generation, owing to their ability to learn diffusion processes in compact latent spaces. However, while previous research has focused primarily on reconstruction accuracy and semantic alignment of the latent space, we observe that another critical factor, robustness to sampling perturbations, also plays a crucial role in determining generation quality. Through empirical and theoretical analyses, we show that the commonly used β-VAE-based tokenizers in latent diffusion models, tend to produce overly compact latent manifolds that are highly sensitive to stochastic perturbations during diffusion sampling, leading to visual degradation. To address this issue, we propose a simple yet effective solution that constructs a latent space robust to sampling perturbations while maintaining strong reconstruction fidelity. This is achieved by introducing a Variance Expansion loss that counteracts variance collapse and leverages the adversarial interplay between reconstruction and variance expansion to achieve an adaptive balance that preserves reconstruction accuracy while improving robustness to stochastic sampling. Extensive experiments demonstrate that our approach consistently enhances generation quality across different latent diffusion architectures, confirming that robustness in latent space is a key missing ingredient for stable and faithful diffusion sampling.

Although attention mechanisms have been applied to a variety of deep learning models and have been shown to improve the prediction performance, it has been reported to be vulnerable to perturbations to the mechanism. To overcome the vulnerability to perturbations in the mechanism, we are inspired by adversarial training (AT), which is a powerful regularization technique for enhancing the robustness of the models. In this paper, we propose a general training technique for natural language processing tasks, including AT for attention (Attention AT) and more interpretable AT for attention (Attention iAT). The proposed techniques improved the prediction performance and the model interpretability by exploiting the mechanisms with AT. In particular, Attention iAT boosts those advantages by introducing adversarial perturbation, which enhances the difference in the attention of the sentences. Evaluation experiments with ten open datasets revealed that AT for attention mechanisms, especially Attention iAT, demonstrated (1) the best performance in nine out of ten tasks and (2) more interpretable attention (i.e., the resulting attention correlated more strongly with gradient-based word importance) for all tasks. Additionally, the proposed techniques are (3) much less dependent on perturbation size in AT. Our code is available at https://github.com/shunk031/attention-meets-perturbation

The pursuit of data efficiency, where quality outweighs quantity, has emerged as a cornerstone in robotic manipulation, especially given the high costs associated with real-world data collection. We propose that maximizing the informational density of individual demonstrations can dramatically reduce reliance on large-scale datasets while improving task performance. To this end, we introduce Adversarial Data Collection, a Human-in-the-Loop (HiL) framework that redefines robotic data acquisition through real-time, bidirectional human-environment interactions. Unlike conventional pipelines that passively record static demonstrations, ADC adopts a collaborative perturbation paradigm: during a single episode, an adversarial operator dynamically alters object states, environmental conditions, and linguistic commands, while the tele-operator adaptively adjusts actions to overcome these evolving challenges. This process compresses diverse failure-recovery behaviors, compositional task variations, and environmental perturbations into minimal demonstrations. Our experiments demonstrate that ADC-trained models achieve superior compositional generalization to unseen task instructions, enhanced robustness to perceptual perturbations, and emergent error recovery capabilities. Strikingly, models trained with merely 20% of the demonstration volume collected through ADC significantly outperform traditional approaches using full datasets. These advances bridge the gap between data-centric learning paradigms and practical robotic deployment, demonstrating that strategic data acquisition, not merely post-hoc processing, is critical for scalable, real-world robot learning. Additionally, we are curating a large-scale ADC-Robotics dataset comprising real-world manipulation tasks with adversarial perturbations. This benchmark will be open-sourced to facilitate advancements in robotic imitation learning.

Despite the rapid progress of multimodal large language models (MLLMs), they have largely overlooked the importance of visual processing. In a simple yet revealing experiment, we interestingly find that language-only models, when provided with image captions, can achieve comparable or even better performance than MLLMs that consume raw visual inputs. This suggests that current MLLMs may generate accurate visual descriptions but fail to effectively integrate them during reasoning. Motivated by this, we propose a simple visual perturbation framework that enhances perceptual robustness without requiring algorithmic modifications or additional training data. Our approach introduces three targeted perturbations: distractor concatenation, dominance-preserving mixup, and random rotation, that can be easily integrated into existing post-training pipelines including SFT, DPO, and GRPO. Through extensive experiments across multiple datasets, we demonstrate consistent improvements in mathematical reasoning performance, with gains comparable to those achieved through algorithmic changes. Additionally, we achieve competitive performance among open-source 7B RL-tuned models by training Qwen2.5-VL-7B with visual perturbation. Through comprehensive ablation studies, we analyze the effectiveness of different perturbation strategies, revealing that each perturbation type contributes uniquely to different aspects of visual reasoning. Our findings highlight the critical role of visual perturbation in multimodal mathematical reasoning: better reasoning begins with better seeing. Our code is available at https://github.com/YutingLi0606/Vision-Matters.

Large Language Model (LLM) watermarking embeds detectable signals into generated text for copyright protection, misuse prevention, and content detection. While prior studies evaluate robustness using watermark removal attacks, these methods are often suboptimal, creating the misconception that effective removal requires large perturbations or powerful adversaries. To bridge the gap, we first formalize the system model for LLM watermark, and characterize two realistic threat models constrained on limited access to the watermark detector. We then analyze how different types of perturbation vary in their attack range, i.e., the number of tokens they can affect with a single edit. We observe that character-level perturbations (e.g., typos, swaps, deletions, homoglyphs) can influence multiple tokens simultaneously by disrupting the tokenization process. We demonstrate that character-level perturbations are significantly more effective for watermark removal under the most restrictive threat model. We further propose guided removal attacks based on the Genetic Algorithm (GA) that uses a reference detector for optimization. Under a practical threat model with limited black-box queries to the watermark detector, our method demonstrates strong removal performance. Experiments confirm the superiority of character-level perturbations and the effectiveness of the GA in removing watermarks under realistic constraints. Additionally, we argue there is an adversarial dilemma when considering potential defenses: any fixed defense can be bypassed by a suitable perturbation strategy. Motivated by this principle, we propose an adaptive compound character-level attack. Experimental results show that this approach can effectively defeat the defenses. Our findings highlight significant vulnerabilities in existing LLM watermark schemes and underline the urgency for the development of new robust mechanisms.

Vision-language pre-trained (VLP) models have been the foundation of numerous vision-language tasks. Given their prevalence, it becomes imperative to assess their adversarial robustness, especially when deploying them in security-crucial real-world applications. Traditionally, adversarial perturbations generated for this assessment target specific VLP models, datasets, and/or downstream tasks. This practice suffers from low transferability and additional computation costs when transitioning to new scenarios. In this work, we thoroughly investigate whether VLP models are commonly sensitive to imperceptible perturbations of a specific pattern for the image modality. To this end, we propose a novel black-box method to generate Universal Adversarial Perturbations (UAPs), which is so called the Effective and T ransferable Universal Adversarial Attack (ETU), aiming to mislead a variety of existing VLP models in a range of downstream tasks. The ETU comprehensively takes into account the characteristics of UAPs and the intrinsic cross-modal interactions to generate effective UAPs. Under this regime, the ETU encourages both global and local utilities of UAPs. This benefits the overall utility while reducing interactions between UAP units, improving the transferability. To further enhance the effectiveness and transferability of UAPs, we also design a novel data augmentation method named ScMix. ScMix consists of self-mix and cross-mix data transformations, which can effectively increase the multi-modal data diversity while preserving the semantics of the original data. Through comprehensive experiments on various downstream tasks, VLP models, and datasets, we demonstrate that the proposed method is able to achieve effective and transferrable universal adversarial attacks.

It has been well recognized that neural network based image classifiers are easily fooled by images with tiny perturbations crafted by an adversary. There has been a vast volume of research to generate and defend such adversarial attacks. However, the following problem is left unexplored: How to reverse-engineer adversarial perturbations from an adversarial image? This leads to a new adversarial learning paradigm--Reverse Engineering of Deceptions (RED). If successful, RED allows us to estimate adversarial perturbations and recover the original images. However, carefully crafted, tiny adversarial perturbations are difficult to recover by optimizing a unilateral RED objective. For example, the pure image denoising method may overfit to minimizing the reconstruction error but hardly preserve the classification properties of the true adversarial perturbations. To tackle this challenge, we formalize the RED problem and identify a set of principles crucial to the RED approach design. Particularly, we find that prediction alignment and proper data augmentation (in terms of spatial transformations) are two criteria to achieve a generalizable RED approach. By integrating these RED principles with image denoising, we propose a new Class-Discriminative Denoising based RED framework, termed CDD-RED. Extensive experiments demonstrate the effectiveness of CDD-RED under different evaluation metrics (ranging from the pixel-level, prediction-level to the attribution-level alignment) and a variety of attack generation methods (e.g., FGSM, PGD, CW, AutoAttack, and adaptive attacks).

Human-driven vehicles (HVs) exhibit complex and diverse behaviors. Accurately modeling such behavior is crucial for validating Robot Vehicles (RVs) in simulation and realizing the potential of mixed traffic control. However, existing approaches like parameterized models and data-driven techniques struggle to capture the full complexity and diversity. To address this, in this work, we introduce CARL, a hybrid technique combining imitation learning for close proximity car-following and probabilistic sampling for larger headways. We also propose two classes of RL-based RVs: a safety RV focused on maximizing safety and an efficiency RV focused on maximizing efficiency. Our experiments show that the safety RV increases Time-to-Collision above the critical 4 second threshold and reduces Deceleration Rate to Avoid a Crash by up to 80%, while the efficiency RV achieves improvements in throughput of up to 49%. These results demonstrate the effectiveness of CARL in enhancing both safety and efficiency in mixed traffic.

Robust reinforcement learning (RL) seeks to train policies that can perform well under environment perturbations or adversarial attacks. Existing approaches typically assume that the space of possible perturbations remains the same across timesteps. However, in many settings, the space of possible perturbations at a given timestep depends on past perturbations. We formally introduce temporally-coupled perturbations, presenting a novel challenge for existing robust RL methods. To tackle this challenge, we propose GRAD, a novel game-theoretic approach that treats the temporally-coupled robust RL problem as a partially-observable two-player zero-sum game. By finding an approximate equilibrium in this game, GRAD ensures the agent's robustness against temporally-coupled perturbations. Empirical experiments on a variety of continuous control tasks demonstrate that our proposed approach exhibits significant robustness advantages compared to baselines against both standard and temporally-coupled attacks, in both state and action spaces.

Physical adversarial examples for camera-based computer vision have so far been achieved through visible artifacts -- a sticker on a Stop sign, colorful borders around eyeglasses or a 3D printed object with a colorful texture. An implicit assumption here is that the perturbations must be visible so that a camera can sense them. By contrast, we contribute a procedure to generate, for the first time, physical adversarial examples that are invisible to human eyes. Rather than modifying the victim object with visible artifacts, we modify light that illuminates the object. We demonstrate how an attacker can craft a modulated light signal that adversarially illuminates a scene and causes targeted misclassifications on a state-of-the-art ImageNet deep learning model. Concretely, we exploit the radiometric rolling shutter effect in commodity cameras to create precise striping patterns that appear on images. To human eyes, it appears like the object is illuminated, but the camera creates an image with stripes that will cause ML models to output the attacker-desired classification. We conduct a range of simulation and physical experiments with LEDs, demonstrating targeted attack rates up to 84%.

Vision-Language Models (VLMs) extend the capabilities of Large Language Models (LLMs) by incorporating visual information, yet they remain vulnerable to jailbreak attacks, especially when processing noisy or corrupted images. Although existing VLMs adopt security measures during training to mitigate such attacks, vulnerabilities associated with noise-augmented visual inputs are overlooked. In this work, we identify that missing noise-augmented training causes critical security gaps: many VLMs are susceptible to even simple perturbations such as Gaussian noise. To address this challenge, we propose Robust-VLGuard, a multimodal safety dataset with aligned / misaligned image-text pairs, combined with noise-augmented fine-tuning that reduces attack success rates while preserving functionality of VLM. For stronger optimization-based visual perturbation attacks, we propose DiffPure-VLM, leveraging diffusion models to convert adversarial perturbations into Gaussian-like noise, which can be defended by VLMs with noise-augmented safety fine-tuning. Experimental results demonstrate that the distribution-shifting property of diffusion model aligns well with our fine-tuned VLMs, significantly mitigating adversarial perturbations across varying intensities. The dataset and code are available at https://github.com/JarvisUSTC/DiffPure-RobustVLM.

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.

Accurate camera-LiDAR fusion relies on precise extrinsic calibration, which fundamentally depends on establishing reliable cross-modal correspondences under potentially large misalignments. Existing learning-based methods typically project LiDAR points into depth maps for feature fusion, which distorts 3D geometry and degrades performance when the extrinsic initialization is far from the ground truth. To address this issue, we propose an extrinsic-aware cross-attention framework that directly aligns image patches and LiDAR point groups in their native domains. The proposed attention mechanism explicitly injects extrinsic parameter hypotheses into the correspondence modeling process, enabling geometry-consistent cross-modal interaction without relying on projected 2D depth maps. Extensive experiments on the KITTI and nuScenes benchmarks demonstrate that our method consistently outperforms state-of-the-art approaches in both accuracy and robustness. Under large extrinsic perturbations, our approach achieves accurate calibration in 88% of KITTI cases and 99% of nuScenes cases, substantially surpassing the second-best baseline. We have open sourced our code on https://github.com/gitouni/ProjFusion to benefit the community.

In Vision-Language-Actionf(VLA) models, robustness to real-world perturbations is critical for deployment. Existing methods target simple visual disturbances, overlooking the broader multi-modal perturbations that arise in actions, instructions, environments, and observations. Here, we first evaluate the robustness of mainstream VLAs under 17 perturbations across four modalities. We find (1) actions as the most fragile modality, (2) Existing visual-robust VLA do not gain robustness in other modality, and (3) pi0 demonstrates superior robustness. To build multi-modal robust VLAs, we propose RobustVLA against perturbations in VLA inputs and outputs. For output robustness, we perform offline robust optimization against worst-case action noise that maximizes mismatch in flow matching objective. This can be seen as adversarial training, label smoothing, and outlier penalization. For input robustness, we enforce consistent actions across input variations that preserve task semantics. To account for multiple perturbations, we formulate robustness as a multi-armed bandit problem and apply an upper confidence bound algorithm to automatically identify the most harmful noise. Experiments on LIBERO demonstrate our RobustVLA delivers absolute gains over baselines of 12.6% on the pi0 backbone and 10.4% on the OpenVLA backbone across all 17 perturbations, achieving 50.6x faster inference than existing visual-robust BYOVLA that requires external LLMs, and a 10.4% gain under mixed perturbations. On the real-world FR5 robot, under four types of multimodal perturbations, RobustVLA shows strong low-data performance, outperforming pi0 by 65.6% success rate with 25 demonstrations. Even with abundant demos, our method still outperform pi0 by 30% success rate. Code and demo videos available at https://github.com/gakakulicc/RobustVLA.

The widespread use of large language models (LLMs) has sparked concerns about the potential misuse of AI-generated text, as these models can produce content that closely resembles human-generated text. Current detectors for AI-generated text (AIGT) lack robustness against adversarial perturbations, with even minor changes in characters or words causing a reversal in distinguishing between human-created and AI-generated text. This paper investigates the robustness of existing AIGT detection methods and introduces a novel detector, the Siamese Calibrated Reconstruction Network (SCRN). The SCRN employs a reconstruction network to add and remove noise from text, extracting a semantic representation that is robust to local perturbations. We also propose a siamese calibration technique to train the model to make equally confidence predictions under different noise, which improves the model's robustness against adversarial perturbations. Experiments on four publicly available datasets show that the SCRN outperforms all baseline methods, achieving 6.5\%-18.25\% absolute accuracy improvement over the best baseline method under adversarial attacks. Moreover, it exhibits superior generalizability in cross-domain, cross-genre, and mixed-source scenarios. The code is available at https://github.com/CarlanLark/Robust-AIGC-Detector.

Prediction models can exhibit sensitivity with respect to training data: small changes in the training data can produce models that assign conflicting predictions to individual data points during test time. In this work, we study this sensitivity in recommender systems, where users' recommendations are drastically altered by minor perturbations in other unrelated users' interactions. We introduce a measure of stability for recommender systems, called Rank List Sensitivity (RLS), which measures how rank lists generated by a given recommender system at test time change as a result of a perturbation in the training data. We develop a method, CASPER, which uses cascading effect to identify the minimal and systematical perturbation to induce higher instability in a recommender system. Experiments on four datasets show that recommender models are overly sensitive to minor perturbations introduced randomly or via CASPER - even perturbing one random interaction of one user drastically changes the recommendation lists of all users. Importantly, with CASPER perturbation, the models generate more unstable recommendations for low-accuracy users (i.e., those who receive low-quality recommendations) than high-accuracy ones.

Recent advances in Vision Transformer (ViT) have demonstrated its impressive performance in image classification, which makes it a promising alternative to Convolutional Neural Network (CNN). Unlike CNNs, ViT represents an input image as a sequence of image patches. The patch-based input image representation makes the following question interesting: How does ViT perform when individual input image patches are perturbed with natural corruptions or adversarial perturbations, compared to CNNs? In this work, we study the robustness of ViT to patch-wise perturbations. Surprisingly, we find that ViTs are more robust to naturally corrupted patches than CNNs, whereas they are more vulnerable to adversarial patches. Furthermore, we discover that the attention mechanism greatly affects the robustness of vision transformers. Specifically, the attention module can help improve the robustness of ViT by effectively ignoring natural corrupted patches. However, when ViTs are attacked by an adversary, the attention mechanism can be easily fooled to focus more on the adversarially perturbed patches and cause a mistake. Based on our analysis, we propose a simple temperature-scaling based method to improve the robustness of ViT against adversarial patches. Extensive qualitative and quantitative experiments are performed to support our findings, understanding, and improvement of ViT robustness to patch-wise perturbations across a set of transformer-based architectures.

To stabilize the periodic operation of a chemical reactor the oscillation period should be determined precisely in real time. The method discussed in the paper is based on adaptive sampling of the state variable with the use of chaotic mapping to itself. It enables precise determination of the oscillation period in real time and could be used for a proper control system, that can successfully control the process and maintain the oscillation period at a set level. The method was applied to a tank reactor and tubular reactor with recycle.

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.

Single-cell transcriptomics enabled the study of cellular heterogeneity in response to perturbations at the resolution of individual cells. However, scaling high-throughput screens (HTSs) to measure cellular responses for many drugs remains a challenge due to technical limitations and, more importantly, the cost of such multiplexed experiments. Thus, transferring information from routinely performed bulk RNA HTS is required to enrich single-cell data meaningfully. We introduce chemCPA, a new encoder-decoder architecture to study the perturbational effects of unseen drugs. We combine the model with an architecture surgery for transfer learning and demonstrate how training on existing bulk RNA HTS datasets can improve generalisation performance. Better generalisation reduces the need for extensive and costly screens at single-cell resolution. We envision that our proposed method will facilitate more efficient experiment designs through its ability to generate in-silico hypotheses, ultimately accelerating drug discovery.

The study conducted by Shumailov et al. (2024) demonstrates that repeatedly training a generative model on synthetic data leads to model collapse. This finding has generated considerable interest and debate, particularly given that current models have nearly exhausted the available data. In this work, we investigate the effects of fitting a distribution (through Kernel Density Estimation, or KDE) or a model to the data, followed by repeated sampling from it. Our objective is to develop a theoretical understanding of the phenomenon observed by Shumailov et al. (2024). Our results indicate that the outcomes reported are a statistical phenomenon and may be unavoidable.

Indirect experiments provide a valuable framework for estimating treatment effects in situations where conducting randomized control trials (RCTs) is impractical or unethical. Unlike RCTs, indirect experiments estimate treatment effects by leveraging (conditional) instrumental variables, enabling estimation through encouragement and recommendation rather than strict treatment assignment. However, the sample efficiency of such estimators depends not only on the inherent variability in outcomes but also on the varying compliance levels of users with the instrumental variables and the choice of estimator being used, especially when dealing with numerous instrumental variables. While adaptive experiment design has a rich literature for direct experiments, in this paper we take the initial steps towards enhancing sample efficiency for indirect experiments by adaptively designing a data collection policy over instrumental variables. Our main contribution is a practical computational procedure that utilizes influence functions to search for an optimal data collection policy, minimizing the mean-squared error of the desired (non-linear) estimator. Through experiments conducted in various domains inspired by real-world applications, we showcase how our method can significantly improve the sample efficiency of indirect experiments.

We introduce rd-spiral, an open-source Python library for simulating 2D reaction-diffusion systems using pseudo-spectral methods. The framework combines FFT-based spatial discretization with adaptive Dormand-Prince time integration, achieving exponential convergence while maintaining pedagogical clarity. We analyze three dynamical regimes: stable spirals, spatiotemporal chaos, and pattern decay, revealing extreme non-Gaussian statistics (kurtosis >96) in stable states. Information-theoretic metrics show 10.7% reduction in activator-inhibitor coupling during turbulence versus 6.5% in stable regimes. The solver handles stiffness ratios >6:1 with features including automated equilibrium classification and checkpointing. Effect sizes (delta=0.37--0.78) distinguish regimes, with asymmetric field sensitivities to perturbations. By balancing computational rigor with educational transparency, rd-spiral bridges theoretical and practical nonlinear dynamics.

Controlled text perturbation is useful for evaluating and improving model generalizability. However, current techniques rely on training a model for every target perturbation, which is expensive and hard to generalize. We present Tailor, a semantically-controlled text generation system. Tailor builds on a pretrained seq2seq model and produces textual outputs conditioned on control codes derived from semantic representations. We craft a set of operations to modify the control codes, which in turn steer generation towards targeted attributes. These operations can be further composed into higher-level ones, allowing for flexible perturbation strategies. We demonstrate the effectiveness of these perturbations in multiple applications. First, we use Tailor to automatically create high-quality contrast sets for four distinct natural language processing (NLP) tasks. These contrast sets contain fewer spurious artifacts and are complementary to manually annotated ones in their lexical diversity. Second, we show that Tailor perturbations can improve model generalization through data augmentation. Perturbing just 2% of training data leads to a 5.8-point gain on an NLI challenge set measuring reliance on syntactic heuristics.

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic foundation. This paper begins by providing a theoretical justification for the role of perturbations in UQ for LLMs. We then introduce a dual random walk perspective, modeling input-output pairs as two Markov chains with transition probabilities defined by semantic similarity. Building on this, we propose a fully probabilistic framework based on an inverse model, which quantifies uncertainty by evaluating the diversity of the input space conditioned on a given output through systematic perturbations. Within this framework, we define a new uncertainty measure, Inv-Entropy. A key strength of our framework is its flexibility: it supports various definitions of uncertainty measures, embeddings, perturbation strategies, and similarity metrics. We also propose GAAP, a perturbation algorithm based on genetic algorithms, which enhances the diversity of sampled inputs. In addition, we introduce a new evaluation metric, Temperature Sensitivity of Uncertainty (TSU), which directly assesses uncertainty without relying on correctness as a proxy. Extensive experiments demonstrate that Inv-Entropy outperforms existing semantic UQ methods. The code to reproduce the results can be found at https://github.com/UMDataScienceLab/Uncertainty-Quantification-for-LLMs.

We develop a linear perturbative formalism to compute the response of an inhomogeneous stellar disk embedded in a non-responsive dark matter halo to perturbations like bars, spiral arms and satellite galaxy encounters. Without self-gravity to reinforce it, the response of a Fourier mode phase mixes away due to an intrinsic spread in the vertical (Omega_z), radial (Omega_r) and azimuthal (Omega_phi) frequencies, giving rise to local phase-space spirals. Collisional diffusion due to scattering of stars by structures like giant molecular clouds causes super-exponential damping of the phase-spiral amplitude. The z-v_z phase-spiral is 1-armed (2-armed) for vertically anti-symmetric (symmetric) bending (breathing) modes. Only transient perturbations with timescales (tau_{P}) comparable to the vertical oscillation period (tau_z sim 1/Omega_z) trigger z-v_z phase-spirals. Each (n,l,m) mode of the response to impulsive (tau_{P}<tau=1/(nOmega_z+lOmega_r+mOmega_phi)) perturbations is power law (sim tau_{P}/tau) suppressed, but that to adiabatic (tau_{P}>tau) perturbations is exponentially weak (sim left[-left(tau_{mathrm{P}/tauright)^alpharight]}) except resonant (tauto infty) modes. Slower (tau_{P}>tau_z) perturbations, e.g., distant encounters with satellite galaxies, induce stronger bending modes. If the Gaia phase-spiral was triggered by a satellite, Sagittarius is the leading contender as it dominates the Solar neighborhood response of the Milky Way disk to satellite encounters. However, survival against collisional damping necessitates that the impact occurred within sim 0.6-0.7 Gyr ago. We discuss how the detailed galactic potential dictates the phase-spiral shape: phase mixing occurs slower and phase-spirals are less wound in the outer disk and in presence of an ambient halo.

We demonstrate how images and sounds can be used for indirect prompt and instruction injection in multi-modal LLMs. An attacker generates an adversarial perturbation corresponding to the prompt and blends it into an image or audio recording. When the user asks the (unmodified, benign) model about the perturbed image or audio, the perturbation steers the model to output the attacker-chosen text and/or make the subsequent dialog follow the attacker's instruction. We illustrate this attack with several proof-of-concept examples targeting LLaVa and PandaGPT.

Understanding causality should be a core requirement of any attempt to build real impact through AI. Due to the inherent unobservability of counterfactuals, large randomised trials (RCTs) are the standard for causal inference. But large experiments are generically expensive, and randomisation carries its own costs, e.g. when suboptimal decisions are trialed. Recent work has proposed more sample-efficient alternatives to RCTs, but these are not adaptable to the downstream application for which the causal effect is sought. In this work, we develop a task-specific approach to experimental design and derive sampling strategies customised to particular downstream applications. Across a range of important tasks, real-world datasets, and sample sizes, our method outperforms other benchmarks, e.g. requiring an order-of-magnitude less data to match RCT performance on targeted marketing tasks.

Recent research has adopted a new experimental field centered around the concept of text perturbations which has revealed that shuffled word order has little to no impact on the downstream performance of Transformer-based language models across many NLP tasks. These findings contradict the common understanding of how the models encode hierarchical and structural information and even question if the word order is modeled with position embeddings. To this end, this paper proposes nine probing datasets organized by the type of controllable text perturbation for three Indo-European languages with a varying degree of word order flexibility: English, Swedish and Russian. Based on the probing analysis of the M-BERT and M-BART models, we report that the syntactic sensitivity depends on the language and model pre-training objectives. We also find that the sensitivity grows across layers together with the increase of the perturbation granularity. Last but not least, we show that the models barely use the positional information to induce syntactic trees from their intermediate self-attention and contextualized representations.

A variety of methods have been proposed to try to explain how deep neural networks make their decisions. Key to those approaches is the need to sample the pixel space efficiently in order to derive importance maps. However, it has been shown that the sampling methods used to date introduce biases and other artifacts, leading to inaccurate estimates of the importance of individual pixels and severely limit the reliability of current explainability methods. Unfortunately, the alternative -- to exhaustively sample the image space is computationally prohibitive. In this paper, we introduce EVA (Explaining using Verified perturbation Analysis) -- the first explainability method guarantee to have an exhaustive exploration of a perturbation space. Specifically, we leverage the beneficial properties of verified perturbation analysis -- time efficiency, tractability and guaranteed complete coverage of a manifold -- to efficiently characterize the input variables that are most likely to drive the model decision. We evaluate the approach systematically and demonstrate state-of-the-art results on multiple benchmarks.

We address hallucination detection in Large Language Models (LLMs) and Multimodal Large Language Models (MLLMs) by framing the problem through the lens of dynamical systems stability theory. Rather than treating hallucination as a straightforward classification task, we conceptualize (M)LLMs as dynamical systems, where factual knowledge is represented by stable equilibrium points within the representation space. Our main insight is that hallucinations tend to arise at the boundaries of knowledge-transition regions separating stable and unstable zones. To capture this phenomenon, we propose Lyapunov Probes: lightweight networks trained with derivative-based stability constraints that enforce a monotonic decay in confidence under input perturbations. By performing systematic perturbation analysis and applying a two-stage training process, these probes reliably distinguish between stable factual regions and unstable, hallucination-prone regions. Experiments on diverse datasets and models demonstrate consistent improvements over existing baselines.

Modern cosmological surveys are delivering datasets characterized by unprecedented quality and statistical completeness; this trend is expected to continue into the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the nonlinear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira-Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. The suite covers the standard six cosmological parameters {omega_m,omega_b, sigma_8, h, n_s, w_0} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state, {omega_{nu}, w_a}. In this paper we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1Gpc)^3 volume and evolving 3200^3 particles. An additional set of 1776 lower-resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly nonlinear regimes. The emulator provides predictions at the two to three percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

It is well-known that inverse dynamics models can improve tracking performance in robot control. These models need to precisely capture the robot dynamics, which consist of well-understood components, e.g., rigid body dynamics, and effects that remain challenging to capture, e.g., stick-slip friction and mechanical flexibilities. Such effects exhibit hysteresis and partial observability, rendering them, particularly challenging to model. Hence, hybrid models, which combine a physical prior with data-driven approaches are especially well-suited in this setting. We present a novel hybrid model formulation that enables us to identify fully physically consistent inertial parameters of a rigid body dynamics model which is paired with a recurrent neural network architecture, allowing us to capture unmodeled partially observable effects using the network memory. We compare our approach against state-of-the-art inverse dynamics models on a 7 degree of freedom manipulator. Using data sets obtained through an optimal experiment design approach, we study the accuracy of offline torque prediction and generalization capabilities of joint learning methods. In control experiments on the real system, we evaluate the model as a feed-forward term for impedance control and show the feedback gains can be drastically reduced to achieve a given tracking accuracy.

Recent image generation schemes typically capture image distribution in a pre-constructed latent space relying on a frozen image tokenizer. Though the performance of tokenizer plays an essential role to the successful generation, its current evaluation metrics (e.g. rFID) fail to precisely assess the tokenizer and correlate its performance to the generation quality (e.g. gFID). In this paper, we comprehensively analyze the reason for the discrepancy of reconstruction and generation qualities in a discrete latent space, and, from which, we propose a novel plug-and-play tokenizer training scheme to facilitate latent space construction. Specifically, a latent perturbation approach is proposed to simulate sampling noises, i.e., the unexpected tokens sampled, from the generative process. With the latent perturbation, we further propose (1) a novel tokenizer evaluation metric, i.e., pFID, which successfully correlates the tokenizer performance to generation quality and (2) a plug-and-play tokenizer training scheme, which significantly enhances the robustness of tokenizer thus boosting the generation quality and convergence speed. Extensive benchmarking are conducted with 11 advanced discrete image tokenizers with 2 autoregressive generation models to validate our approach. The tokenizer trained with our proposed latent perturbation achieve a notable 1.60 gFID with classifier-free guidance (CFG) and 3.45 gFID without CFG with a sim400M generator. Code: https://github.com/lxa9867/ImageFolder.

Recent work has demonstrated that controlled pretraining experiments are a powerful tool for understanding learning, reasoning, and memorization in large language models (LLMs). However, the computational cost of pretraining presents a significant constraint. To overcome this constraint, we propose to conduct multiple pretraining experiments simultaneously during a single training run. We demonstrate the feasibility of this approach by conducting ten experiments during the training of a 1.5B parameter model on 210B tokens. Although we only train a single model, we can replicate the results from multiple previous works on data contamination, poisoning, and memorization. We also conduct novel investigations into knowledge acquisition, mathematical reasoning, and watermarking. For example, we dynamically update the training data until the model acquires a particular piece of knowledge. Remarkably, the influence of the ten experiments on the model's training dynamics and overall performance is minimal. However, interactions between different experiments may act as a potential confounder in our approach. We propose to test for interactions with continual pretraining experiments, finding them to be negligible in our setup. Overall, our findings suggest that performing multiple pretraining experiments in a single training run can enable rigorous scientific experimentation with large models on a compute budget.

Perturbative availability poisons (PAPs) add small changes to images to prevent their use for model training. Current research adopts the belief that practical and effective approaches to countering PAPs do not exist. In this paper, we argue that it is time to abandon this belief. We present extensive experiments showing that 12 state-of-the-art PAP methods are vulnerable to Image Shortcut Squeezing (ISS), which is based on simple compression. For example, on average, ISS restores the CIFAR-10 model accuracy to 81.73%, surpassing the previous best preprocessing-based countermeasures by 37.97% absolute. ISS also (slightly) outperforms adversarial training and has higher generalizability to unseen perturbation norms and also higher efficiency. Our investigation reveals that the property of PAP perturbations depends on the type of surrogate model used for poison generation, and it explains why a specific ISS compression yields the best performance for a specific type of PAP perturbation. We further test stronger, adaptive poisoning, and show it falls short of being an ideal defense against ISS. Overall, our results demonstrate the importance of considering various (simple) countermeasures to ensure the meaningfulness of analysis carried out during the development of PAP methods.

Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses critical insights. This tutorial presents Bayesian Optimisation (BO), a principled probability-driven framework that formalises and automates this core scientific cycle. BO uses surrogate models (e.g., Gaussian processes) to model empirical observations as evolving hypotheses, and acquisition functions to guide experiment selection, balancing exploitation of known knowledge and exploration of uncharted domains to eliminate guesswork and manual trial-and-error. We first frame scientific discovery as an optimisation problem, then unpack BO's core components, end-to-end workflows, and real-world efficacy via case studies in catalysis, materials science, organic synthesis, and molecule discovery. We also cover critical technical extensions for scientific applications, including batched experimentation, heteroscedasticity, contextual optimisation, and human-in-the-loop integration. Tailored for a broad audience, this tutorial bridges AI advances in BO with practical natural science applications, offering tiered content to empower cross-disciplinary researchers to design more efficient experiments and accelerate principled scientific discovery.

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.

The production of a top-quark pair, the heaviest known elementary particle, in association with a light jet is a key process for studying the properties of the Standard Model of Particle Physics. Due to its significance as a signal process with considerable sensitivity to the top-quark mass and as a background process for new physics searches, it is crucial to predict differential cross sections with high precision. In this article, we present, for the first time, predictions for various kinematical observables at next-to-next-to-leading order in Quantum Chromodynamics. The perturbative behavior is analyzed, and uncertainties arising from missing higher-order contributions are substantially reduced. The necessary two-loop amplitudes have been evaluated in the leading-color approximation, and we provide estimates for the impact of the missing contributions.

To effectively optimize and personalize treatments, it is necessary to investigate the heterogeneity of treatment effects. With the wide range of users being treated over many online controlled experiments, the typical approach of manually investigating each dimension of heterogeneity becomes overly cumbersome and prone to subjective human biases. We need an efficient way to search through thousands of experiments with hundreds of target covariates and hundreds of breakdown dimensions. In this paper, we propose a systematic paradigm for detecting, surfacing and characterizing heterogeneous treatment effects. First, we detect if treatment effect variation is present in an experiment, prior to specifying any breakdowns. Second, we surface the most relevant dimensions for heterogeneity. Finally, we characterize the heterogeneity beyond just the conditional average treatment effects (CATE) by studying the conditional distributions of the estimated individual treatment effects. We show the effectiveness of our methods using simulated data and empirical studies.

Existing evaluation methods largely rely on clean, static benchmarks, which can overestimate true model performance by failing to capture the noise and variability inherent in real-world user inputs. This is especially true for language models, which can face human-generated text queries containing mistakes, typos, or alternative ways of phrasing the same question. In this work, we introduce a theoretical framework for quantifying model sensitivity to prompt variants, or brittleness, that can enable us to disentangle data-induced difficulty from prompt-related variability. Using this framework, we design a novel evaluation pipeline, Brittlebench, to holistically evaluate the sensitivity of frontier models. We apply semantics-preserving perturbations to a suite of popular benchmarks, and observe model performance to degrade as much as 12%. However, these perturbations do not affect all models equally: even a single perturbation alters the relative ranking of models in 63% of cases, impacting conclusions about comparative model performance. Decomposing the total variance of both state-of-the-art open-weight and commercial models, we find that semantics-preserving input perturbations can account for up to half of the performance variance for a given model. Brittlebench highlights the need for more robust evaluations and models, and allows us to systematically understand model brittleness.

Kernelized Stein discrepancy (KSD) is a score-based discrepancy widely used in goodness-of-fit tests. It can be applied even when the target distribution has an unknown normalising factor, such as in Bayesian analysis. We show theoretically and empirically that the KSD test can suffer from low power when the target and the alternative distributions have the same well-separated modes but differ in mixing proportions. We propose to perturb the observed sample via Markov transition kernels, with respect to which the target distribution is invariant. This allows us to then employ the KSD test on the perturbed sample. We provide numerical evidence that with suitably chosen transition kernels the proposed approach can lead to substantially higher power than the KSD test.

Foundation Models are neural networks that are capable of simultaneously solving many problems. Large Language Foundation Models like ChatGPT have revolutionized many aspects of daily life, but their impact for science is not yet clear. In this paper, we use a new Foundation Model for hadronic jets to solve three key challenges in collider physics. In particular, we show how experiments can (1) save significant computing power when developing reconstruction algorithms, (2) perform a complete uncertainty quantification for high-dimensional measurements, and (3) search for new physics with model agnostic methods using low-level inputs. In each case, there are significant computational or methodological challenges with current methods that limit the science potential of deep learning algorithms. By solving each problem, we take jet Foundation Models beyond proof-of-principle studies and into the toolkit of practitioners.

Straight line equation y=mx with slope m, when singularly perturbed as ay^3+y=mx with a positive parameter a, results in S-shaped curves or S-curves on a real plane. As arightarrow 0, we get back y=mx which is a cumulative distribution function of a continuous uniform distribution that describes the occurrence of every event in an interval to be equally probable. As arightarrowinfty, the derivative of y has finite support only at y=0 resembling a degenerate distribution. Based on these arguments, in this work, we propose that these S-curves can represent maximum entropy uniform distribution to a zero entropy single value. We also argue that these S-curves are superposable as they are only parametrically nonlinear but fundamentally linear. So far, the superposed forms have been used to capture the patterns of natural systems such as nonlinear dynamics of biological growth and kinetics of enzyme reactions. Here, we attempt to use the S-curve and its superposed form as statistical models. We fit the models on a classical dataset containing flower measurements of iris plants and analyze their usefulness in pattern recognition. Based on these models, we claim that any non-uniform pattern can be represented as a singular perturbation to uniform distribution. However, our parametric estimation procedure have some limitations such as sensitivity to initial conditions depending on the data at hand.

We present a web-based software tool, the Virtual Quantum Optics Laboratory (VQOL), that may be used for designing and executing realistic simulations of quantum optics experiments. A graphical user interface allows one to rapidly build and configure a variety of different optical experiments, while the runtime environment provides unique capabilities for visualization and analysis. All standard linear optical components are available as well as sources of thermal, coherent, and entangled Gaussian states. A unique aspect of VQOL is the introduction of non-Gaussian measurements using detectors modeled as deterministic devices that "click" when the amplitude of the light falls above a given threshold. We describe the underlying theoretical models and provide several illustrative examples. We find that VQOL provides a a faithful representation of many experimental quantum optics phenomena and may serve as both a useful instructional tool for students as well as a valuable research tool for practitioners.

Virtual cell modeling represents an emerging frontier at the intersection of artificial intelligence and biology, aiming to predict quantities such as responses to diverse perturbations quantitatively. However, autonomously building computational models for virtual cells is challenging due to the complexity of biological systems, the heterogeneity of data modalities, and the need for domain-specific expertise across multiple disciplines. Here, we introduce CellForge, an agentic system that leverages a multi-agent framework that transforms presented biological datasets and research objectives directly into optimized computational models for virtual cells. More specifically, given only raw single-cell multi-omics data and task descriptions as input, CellForge outputs both an optimized model architecture and executable code for training virtual cell models and inference. The framework integrates three core modules: Task Analysis for presented dataset characterization and relevant literature retrieval, Method Design, where specialized agents collaboratively develop optimized modeling strategies, and Experiment Execution for automated generation of code. The agents in the Design module are separated into experts with differing perspectives and a central moderator, and have to collaboratively exchange solutions until they achieve a reasonable consensus. We demonstrate CellForge's capabilities in single-cell perturbation prediction, using six diverse datasets that encompass gene knockouts, drug treatments, and cytokine stimulations across multiple modalities. CellForge consistently outperforms task-specific state-of-the-art methods. Overall, CellForge demonstrates how iterative interaction between LLM agents with differing perspectives provides better solutions than directly addressing a modeling challenge. Our code is publicly available at https://github.com/gersteinlab/CellForge.

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

In reasoning tasks, even a minor error can cascade into inaccurate results, leading to suboptimal performance of large language models in such domains. Earlier fine-tuning approaches sought to mitigate this by leveraging more precise supervisory signals from human labeling, larger models, or self-sampling, although at a high cost. Conversely, we develop a method that avoids external resources, relying instead on introducing perturbations to the input. Our training approach randomly masks certain tokens within the chain of thought, a technique we found to be particularly effective for reasoning tasks. When applied to fine-tuning with GSM8K, this method achieved a 5% improvement in accuracy over standard supervised fine-tuning with a few codes modified and no additional labeling effort. Furthermore, it is complementary to existing methods. When integrated with related data augmentation methods, it leads to an average improvement of 3% improvement in GSM8K accuracy and 1% improvement in MATH accuracy across five datasets of various quality and size, as well as two base models. We further investigate the mechanisms behind this improvement through case studies and quantitative analysis, suggesting that our approach may provide superior support for the model in capturing long-distance dependencies, especially those related to questions. This enhancement could deepen understanding of premises in questions and prior steps. Our code is available at Github.

Observational studies of causal effects require adjustment for confounding factors. In the tabular setting, where these factors are well-defined, separate random variables, the effect of confounding is well understood. However, in public policy, ecology, and in medicine, decisions are often made in non-tabular settings, informed by patterns or objects detected in images (e.g., maps, satellite or tomography imagery). Using such imagery for causal inference presents an opportunity because objects in the image may be related to the treatment and outcome of interest. In these cases, we rely on the images to adjust for confounding but observed data do not directly label the existence of the important objects. Motivated by real-world applications, we formalize this challenge, how it can be handled, and what conditions are sufficient to identify and estimate causal effects. We analyze finite-sample performance using simulation experiments, estimating effects using a propensity adjustment algorithm that employs a machine learning model to estimate the image confounding. Our experiments also examine sensitivity to misspecification of the image pattern mechanism. Finally, we use our methodology to estimate the effects of policy interventions on poverty in African communities from satellite imagery.

Ever since the original algorithm by Nesterov (1983), the true nature of the acceleration phenomenon has remained elusive, with various interpretations of why the method is actually faster. The diagnosis of the algorithm through the lens of Ordinary Differential Equations (ODEs) and the corresponding dynamical system formulation to explain the underlying dynamics has a rich history. In the literature, the ODEs that explain algorithms are typically derived by considering the limiting case of the algorithm maps themselves, that is, an ODE formulation follows the development of an algorithm. This obfuscates the underlying higher order principles and thus provides little evidence of the working of the algorithm. Such has been the case with Nesterov algorithm and the various analogies used to describe the acceleration phenomena, viz, momentum associated with the rolling of a Heavy-Ball down a slope, Hessian damping etc. The main focus of our work is to ideate the genesis of the Nesterov algorithm from the viewpoint of dynamical systems leading to demystifying the mathematical rigour behind the algorithm. Instead of reverse engineering ODEs from discrete algorithms, this work explores tools from the recently developed control paradigm titled Passivity and Immersion approach and the Geometric Singular Perturbation theory which are applied to arrive at the formulation of a dynamical system that explains and models the acceleration phenomena. This perspective helps to gain insights into the various terms present and the sequence of steps used in Nesterovs accelerated algorithm for the smooth strongly convex and the convex case. The framework can also be extended to derive the acceleration achieved using the triple momentum method and provides justifications for the non-convergence to the optimal solution in the Heavy-Ball method.

Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.

It is well known that the reversibility of Stokes flow makes it difficult for small microorganisms to swim. Inertial effects break this reversibility, allowing new mechanisms of propulsion and feeding. Therefore it is important to understand the effects of unsteady and fluid inertia on the dynamics of microorganisms in flow. In this work, we show how to translate known inertial effects for non-motile organisms to motile ones, from passive to active particles. The method relies on a principle used earlier by Legendre and Magnaudet (1997) to deduce inertial corrections to the lift force on a bubble from the inertial drag on a solid sphere, using the fact that small inertial effects are determined by the far field of the disturbance flow. The method allows for example to compute the inertial effect of unsteady fluid accelerations on motile organisms, and the inertial forces such organisms experience in steady shear flow. We explain why the method fails to describe the effect of convective fluid inertia.

Offline optimization is an important task in numerous material engineering domains where online experimentation to collect data is too expensive and needs to be replaced by an in silico maximization of a surrogate of the black-box function. Although such a surrogate can be learned from offline data, its prediction might not be reliable outside the offline data regime, which happens when the surrogate has narrow prediction margin and is (therefore) sensitive to small perturbations of its parameterization. This raises the following questions: (1) how to regulate the sensitivity of a surrogate model; and (2) whether conditioning an offline optimizer with such less sensitive surrogate will lead to better optimization performance. To address these questions, we develop an optimizable sensitivity measurement for the surrogate model, which then inspires a sensitivity-informed regularizer that is applicable to a wide range of offline optimizers. This development is both orthogonal and synergistic to prior research on offline optimization, which is demonstrated in our extensive experiment benchmark.

Explaining predictions based on multivariate time series data carries the additional difficulty of handling not only multiple features, but also time dependencies. It matters not only what happened, but also when, and the same feature could have a very different impact on a prediction depending on this time information. Previous work has used perturbation-based saliency methods to tackle this issue, perturbing an input using a trainable mask to discover which features at which times are driving the predictions. However these methods introduce fixed perturbations, inspired from similar methods on static data, while there seems to be little motivation to do so on temporal data. In this work, we aim to explain predictions by learning not only masks, but also associated perturbations. We empirically show that learning these perturbations significantly improves the quality of these explanations on time series data.

Instrumental variable (IV) methods are used to estimate causal effects in settings with unobserved confounding, where we cannot directly experiment on the treatment variable. Instruments are variables which only affect the outcome indirectly via the treatment variable(s). Most IV applications focus on low-dimensional treatments and crucially require at least as many instruments as treatments. This assumption is restrictive: in the natural sciences we often seek to infer causal effects of high-dimensional treatments (e.g., the effect of gene expressions or microbiota on health and disease), but can only run few experiments with a limited number of instruments (e.g., drugs or antibiotics). In such underspecified problems, the full treatment effect is not identifiable in a single experiment even in the linear case. We show that one can still reliably recover the projection of the treatment effect onto the instrumented subspace and develop techniques to consistently combine such partial estimates from different sets of instruments. We then leverage our combined estimators in an algorithm that iteratively proposes the most informative instruments at each round of experimentation to maximize the overall information about the full causal effect.

A cylindrical TM_{0,1,0} mode microwave cavity resonator was excited using a balanced interferometric configuration that allowed manipulation of the electric field and potential within the resonator by adjusting the phase and amplitude of the interferometer arms driving the resonator. With precise tuning of the phase and amplitude, 25 dB suppression of the electric field at the resonance frequency was achieved while simultaneously resonantly enhancing the time-varying electric-scalar potential. Under these conditions, the system demonstrated electromagnetically induced absorption in the cavity response due to the annulment of the electric field at the resonance frequency. This phenomena can be regarded as a form of extreme dispersion, and led to a sharp increase in the cavity phase versus frequency response by an order of magnitude when compared to the cavity Q-factor. This work presents an experimental setup that will allow the electric-scalar Aharonov-Bohm effect to be tested under conditions involving a time-varying electric-scalar potential, without the presence of an electric field or magnetic vector potential, an experiment that has not yet been realised.