Daily Papers

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 Models (LLMs) are increasingly relied upon to evaluate text outputs of other LLMs, thereby influencing leaderboards and development decisions. However, concerns persist over the accuracy of these assessments and the potential for misleading conclusions. In this work, we investigate the effectiveness of LLMs as evaluators for text generation tasks. We propose FBI, a novel framework designed to examine the proficiency of Evaluator LLMs in assessing four critical abilities in other LLMs: factual accuracy, instruction following, coherence in long-form writing, and reasoning proficiency. By introducing targeted perturbations in answers generated by LLMs, that clearly impact one of these key capabilities, we test whether an Evaluator LLM can detect these quality drops. By creating a total of 2400 perturbed answers covering 22 perturbation categories, we conduct a comprehensive study using different evaluation strategies on five prominent LLMs commonly used as evaluators in the literature. Our findings reveal significant shortcomings in current Evaluator LLMs, which failed to identify quality drops in over 50\% of cases on average. Single-answer and pairwise evaluations demonstrated notable limitations, whereas reference-based evaluations showed comparatively better performance. These results underscore the unreliable nature of current Evaluator LLMs and advocate for cautious implementation in practical applications. Code and data are available at https://github.com/AI4Bharat/FBI.

Bayesian inference usually requires running potentially costly inference procedures separately for every new observation. In contrast, the idea of amortized Bayesian inference is to initially invest computational cost in training an inference network on simulated data, which can subsequently be used to rapidly perform inference (i.e., to return estimates of posterior distributions) for new observations. This approach has been applied to many real-world models in the sciences and engineering, but it is unclear how robust the approach is to adversarial perturbations in the observed data. Here, we study the adversarial robustness of amortized Bayesian inference, focusing on simulation-based estimation of multi-dimensional posterior distributions. We show that almost unrecognizable, targeted perturbations of the observations can lead to drastic changes in the predicted posterior and highly unrealistic posterior predictive samples, across several benchmark tasks and a real-world example from neuroscience. We propose a computationally efficient regularization scheme based on penalizing the Fisher information of the conditional density estimator, and show how it improves the adversarial robustness of amortized Bayesian inference.

Large Language Model (LLM) agents equipped with external tools have become increasingly powerful for complex tasks such as web shopping, automated email replies, and financial trading. However, these advancements amplify the risks of adversarial attacks, especially when agents can access sensitive external functionalities. Nevertheless, manipulating LLM agents into performing targeted malicious actions or invoking specific tools remains challenging, as these agents extensively reason or plan before executing final actions. In this work, we present UDora, a unified red teaming framework designed for LLM agents that dynamically hijacks the agent's reasoning processes to compel malicious behavior. Specifically, UDora first generates the model's reasoning trace for the given task, then automatically identifies optimal points within this trace to insert targeted perturbations. The resulting perturbed reasoning is then used as a surrogate response for optimization. By iteratively applying this process, the LLM agent will then be induced to undertake designated malicious actions or to invoke specific malicious tools. Our approach demonstrates superior effectiveness compared to existing methods across three LLM agent datasets. The code is available at https://github.com/AI-secure/UDora.

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.

Deep Neural Networks (DNNs) have achieved widespread success yet remain prone to adversarial attacks. Typically, such attacks either involve frequent queries to the target model or rely on surrogate models closely mirroring the target model -- often trained with subsets of the target model's training data -- to achieve high attack success rates through transferability. However, in realistic scenarios where training data is inaccessible and excessive queries can raise alarms, crafting adversarial examples becomes more challenging. In this paper, we present UnivIntruder, a novel attack framework that relies solely on a single, publicly available CLIP model and publicly available datasets. By using textual concepts, UnivIntruder generates universal, transferable, and targeted adversarial perturbations that mislead DNNs into misclassifying inputs into adversary-specified classes defined by textual concepts. Our extensive experiments show that our approach achieves an Attack Success Rate (ASR) of up to 85% on ImageNet and over 99% on CIFAR-10, significantly outperforming existing transfer-based methods. Additionally, we reveal real-world vulnerabilities, showing that even without querying target models, UnivIntruder compromises image search engines like Google and Baidu with ASR rates up to 84%, and vision language models like GPT-4 and Claude-3.5 with ASR rates up to 80%. These findings underscore the practicality of our attack in scenarios where traditional avenues are blocked, highlighting the need to reevaluate security paradigms in AI applications.

Miscalibration in Large Language Models (LLMs) undermines their reliability, highlighting the need for accurate confidence estimation. We introduce CCPS (Calibrating LLM Confidence by Probing Perturbed Representation Stability), a novel method analyzing internal representational stability in LLMs. CCPS applies targeted adversarial perturbations to final hidden states, extracts features reflecting the model's response to these perturbations, and uses a lightweight classifier to predict answer correctness. CCPS was evaluated on LLMs from 8B to 32B parameters (covering Llama, Qwen, and Mistral architectures) using MMLU and MMLU-Pro benchmarks in both multiple-choice and open-ended formats. Our results show that CCPS significantly outperforms current approaches. Across four LLMs and three MMLU variants, CCPS reduces Expected Calibration Error by approximately 55% and Brier score by 21%, while increasing accuracy by 5 percentage points, Area Under the Precision-Recall Curve by 4 percentage points, and Area Under the Receiver Operating Characteristic Curve by 6 percentage points, all relative to the strongest prior method. CCPS delivers an efficient, broadly applicable, and more accurate solution for estimating LLM confidence, thereby improving their trustworthiness.

Text-to-image diffusion models have impactful applications in art, design, and entertainment, yet these technologies also pose significant risks by enabling the creation and dissemination of misinformation. Although recent advancements have produced AI-generated image detectors that claim robustness against various augmentations, their true effectiveness remains uncertain. Do these detectors reliably identify images with different levels of augmentation? Are they biased toward specific scenes or data distributions? To investigate, we introduce SEMI-TRUTHS, featuring 27,600 real images, 223,400 masks, and 1,472,700 AI-augmented images that feature targeted and localized perturbations produced using diverse augmentation techniques, diffusion models, and data distributions. Each augmented image is accompanied by metadata for standardized and targeted evaluation of detector robustness. Our findings suggest that state-of-the-art detectors exhibit varying sensitivities to the types and degrees of perturbations, data distributions, and augmentation methods used, offering new insights into their performance and limitations. The code for the augmentation and evaluation pipeline is available at https://github.com/J-Kruk/SemiTruths.

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%.

Transferable targeted adversarial attacks aim to mislead models into outputting adversary-specified predictions in black-box scenarios. Recent studies have introduced single-target generative attacks that train a generator for each target class to generate highly transferable perturbations, resulting in substantial computational overhead when handling multiple classes. Multi-target attacks address this by training only one class-conditional generator for multiple classes. However, the generator simply uses class labels as conditions, failing to leverage the rich semantic information of the target class. To this end, we design a CLIP-guided Generative Network with Cross-attention modules (CGNC) to enhance multi-target attacks by incorporating textual knowledge of CLIP into the generator. Extensive experiments demonstrate that CGNC yields significant improvements over previous multi-target generative attacks, e.g., a 21.46\% improvement in success rate from ResNet-152 to DenseNet-121. Moreover, we propose a masked fine-tuning mechanism to further strengthen our method in attacking a single class, which surpasses existing single-target methods.

This paper introduces a novel dual-region augmentation approach designed to reduce reliance on large-scale labeled datasets while improving model robustness and adaptability across diverse computer vision tasks, including source-free domain adaptation (SFDA) and person re-identification (ReID). Our method performs targeted data transformations by applying random noise perturbations to foreground objects and spatially shuffling background patches. This effectively increases the diversity of the training data, improving model robustness and generalization. Evaluations on the PACS dataset for SFDA demonstrate that our augmentation strategy consistently outperforms existing methods, achieving significant accuracy improvements in both single-target and multi-target adaptation settings. By augmenting training data through structured transformations, our method enables model generalization across domains, providing a scalable solution for reducing reliance on manually annotated datasets. Furthermore, experiments on Market-1501 and DukeMTMC-reID datasets validate the effectiveness of our approach for person ReID, surpassing traditional augmentation techniques.

Traditional white-box methods for creating adversarial perturbations against LLMs typically rely only on gradient computation from the targeted model, ignoring the internal mechanisms responsible for attack success or failure. Conversely, interpretability studies that analyze these internal mechanisms lack practical applications beyond runtime interventions. We bridge this gap by introducing a novel white-box approach that leverages mechanistic interpretability techniques to craft practical adversarial inputs. Specifically, we first identify acceptance subspaces - sets of feature vectors that do not trigger the model's refusal mechanisms - then use gradient-based optimization to reroute embeddings from refusal subspaces to acceptance subspaces, effectively achieving jailbreaks. This targeted approach significantly reduces computation cost, achieving attack success rates of 80-95\% on state-of-the-art models including Gemma2, Llama3.2, and Qwen2.5 within minutes or even seconds, compared to existing techniques that often fail or require hours of computation. We believe this approach opens a new direction for both attack research and defense development. Furthermore, it showcases a practical application of mechanistic interpretability where other methods are less efficient, which highlights its utility. The code and generated datasets are available at https://github.com/Sckathach/subspace-rerouting.

We present an approach to mitigating the risks of malicious image editing posed by large diffusion models. The key idea is to immunize images so as to make them resistant to manipulation by these models. This immunization relies on injection of imperceptible adversarial perturbations designed to disrupt the operation of the targeted diffusion models, forcing them to generate unrealistic images. We provide two methods for crafting such perturbations, and then demonstrate their efficacy. Finally, we discuss a policy component necessary to make our approach fully effective and practical -- one that involves the organizations developing diffusion models, rather than individual users, to implement (and support) the immunization process.

Language models (LMs) are increasingly being deployed to perform autonomous data analyses. However, their data awareness -- the ability to recognize, reason over, and appropriately handle data artifacts such as missing values, outliers, and logical inconsistencies -- remains underexplored. These artifacts are especially common in real-world tabular data and, if mishandled, can significantly compromise the validity of analytical conclusions. To address this gap, we present RADAR, a benchmark for systematically evaluating data-aware reasoning on tabular data. We develop a framework to simulate data artifacts via programmatic perturbations to enable targeted evaluation of model behavior. RADAR comprises 2980 table query pairs, grounded in real-world data spanning 9 domains and 5 data artifact types. In addition to evaluating artifact handling, RADAR systematically varies table size to study how reasoning performance holds when increasing table size. Our evaluation reveals that, despite decent performance on tables without data artifacts, frontier models degrade significantly when data artifacts are introduced, exposing critical gaps in their capacity for robust, data-aware analysis. Designed to be flexible and extensible, RADAR supports diverse perturbation types and controllable table sizes, offering a valuable resource for advancing tabular reasoning.

Deepfakes have become a universal and rapidly intensifying concern of generative AI across various media types such as images, audio, and videos. Among these, audio deepfakes have been of particular concern due to the ease of high-quality voice synthesis and distribution via platforms such as social media and robocalls. Consequently, detecting audio deepfakes plays a critical role in combating the growing misuse of AI-synthesized speech. However, real-world scenarios often introduce various audio corruptions, such as noise, modification, and compression, that may significantly impact detection performance. This work systematically evaluates the robustness of 10 audio deepfake detection models against 16 common corruptions, categorized into noise perturbation, audio modification, and compression. Using both traditional deep learning models and state-of-the-art foundation models, we make four unique observations. First, our findings show that while most models demonstrate strong robustness to noise, they are notably more vulnerable to modifications and compression, especially when neural codecs are applied. Second, speech foundation models generally outperform traditional models across most scenarios, likely due to their self-supervised learning paradigm and large-scale pre-training. Third, our results show that increasing model size improves robustness, albeit with diminishing returns. Fourth, we demonstrate how targeted data augmentation during training can enhance model resilience to unseen perturbations. A case study on political speech deepfakes highlights the effectiveness of foundation models in achieving high accuracy under real-world conditions. These findings emphasize the importance of developing more robust detection frameworks to ensure reliability in practical deployment settings.

Deep neural networks (DNNs) offer significant promise for improving breast cancer diagnosis in medical imaging. However, these models are highly susceptible to adversarial attacks--small, imperceptible changes that can mislead classifiers--raising critical concerns about their reliability and security. Traditional attacks rely on fixed-norm perturbations, misaligning with human perception. In contrast, diffusion-based attacks require pre-trained models, demanding substantial data when these models are unavailable, limiting practical use in data-scarce scenarios. In medical imaging, however, this is often unfeasible due to the limited availability of datasets. Building on recent advancements in learnable prompts, we propose Prompt2Perturb (P2P), a novel language-guided attack method capable of generating meaningful attack examples driven by text instructions. During the prompt learning phase, our approach leverages learnable prompts within the text encoder to create subtle, yet impactful, perturbations that remain imperceptible while guiding the model towards targeted outcomes. In contrast to current prompt learning-based approaches, our P2P stands out by directly updating text embeddings, avoiding the need for retraining diffusion models. Further, we leverage the finding that optimizing only the early reverse diffusion steps boosts efficiency while ensuring that the generated adversarial examples incorporate subtle noise, thus preserving ultrasound image quality without introducing noticeable artifacts. We show that our method outperforms state-of-the-art attack techniques across three breast ultrasound datasets in FID and LPIPS. Moreover, the generated images are both more natural in appearance and more effective compared to existing adversarial attacks. Our code will be publicly available https://github.com/yasamin-med/P2P.

In this work, we present INTACT, a novel two-phase framework designed to enhance the robustness of deep neural networks (DNNs) against noisy LiDAR data in safety-critical perception tasks. INTACT combines meta-learning with adversarial curriculum training (ACT) to systematically address challenges posed by data corruption and sparsity in 3D point clouds. The meta-learning phase equips a teacher network with task-agnostic priors, enabling it to generate robust saliency maps that identify critical data regions. The ACT phase leverages these saliency maps to progressively expose a student network to increasingly complex noise patterns, ensuring targeted perturbation and improved noise resilience. INTACT's effectiveness is demonstrated through comprehensive evaluations on object detection, tracking, and classification benchmarks using diverse datasets, including KITTI, Argoverse, and ModelNet40. Results indicate that INTACT improves model robustness by up to 20% across all tasks, outperforming standard adversarial and curriculum training methods. This framework not only addresses the limitations of conventional training strategies but also offers a scalable and efficient solution for real-world deployment in resource-constrained safety-critical systems. INTACT's principled integration of meta-learning and adversarial training establishes a new paradigm for noise-tolerant 3D perception in safety-critical applications. INTACT improved KITTI Multiple Object Tracking Accuracy (MOTA) by 9.6% (64.1% -> 75.1%) and by 12.4% under Gaussian noise (52.5% -> 73.7%). Similarly, KITTI mean Average Precision (mAP) rose from 59.8% to 69.8% (50% point drop) and 49.3% to 70.9% (Gaussian noise), highlighting the framework's ability to enhance deep learning model resilience in safety-critical object tracking scenarios.

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.

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 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.

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.

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.

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.

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.

Harmful fine-tuning issue qi2023fine poses serious safety concerns for Large language models' fine-tuning-as-a-service. While existing defenses huang2024vaccine,rosati2024representation have been proposed to mitigate the issue, their performances are still far away from satisfactory, and the root cause of the problem has not been fully recovered. For the first time in the literature, we in this paper show that harmful perturbation over the model weights should be the root cause of alignment-broken of harmful fine-tuning. In order to attenuate the negative impact of harmful perturbation, we propose an alignment-stage solution, dubbed Booster. Technically, along with the original alignment loss, we append a loss regularizer in the alignment stage's optimization. The regularizer ensures that the model's harmful loss reduction before/after simulated harmful perturbation is attenuated, thereby mitigating the subsequent fine-tuning risk. Empirical results show that Booster can effectively reduce the harmful score of the fine-tuned models while maintaining the performance of downstream tasks. Our code is available at https://github.com/git-disl/Booster.

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).

Modern recommender systems may output considerably different recommendations due to small perturbations in the training data. Changes in the data from a single user will alter the recommendations as well as the recommendations of other users. In applications like healthcare, housing, and finance, this sensitivity can have adverse effects on user experience. We propose a method to stabilize a given recommender system against such perturbations. This is a challenging task due to (1) the lack of a ``reference'' rank list that can be used to anchor the outputs; and (2) the computational challenges in ensuring the stability of rank lists with respect to all possible perturbations of training data. Our method, FINEST, overcomes these challenges by obtaining reference rank lists from a given recommendation model and then fine-tuning the model under simulated perturbation scenarios with rank-preserving regularization on sampled items. Our experiments on real-world datasets demonstrate that FINEST can ensure that recommender models output stable recommendations under a wide range of different perturbations without compromising next-item prediction accuracy.

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.

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.

Backdoor attacks, which maliciously control a well-trained model's outputs of the instances with specific triggers, are recently shown to be serious threats to the safety of reusing deep neural networks (DNNs). In this work, we propose an efficient online defense mechanism based on robustness-aware perturbations. Specifically, by analyzing the backdoor training process, we point out that there exists a big gap of robustness between poisoned and clean samples. Motivated by this observation, we construct a word-based robustness-aware perturbation to distinguish poisoned samples from clean samples to defend against the backdoor attacks on natural language processing (NLP) models. Moreover, we give a theoretical analysis about the feasibility of our robustness-aware perturbation-based defense method. Experimental results on sentiment analysis and toxic detection tasks show that our method achieves better defending performance and much lower computational costs than existing online defense methods. Our code is available at https://github.com/lancopku/RAP.

To control the behavior of language models, steering methods attempt to ensure that outputs of the model satisfy specific pre-defined properties. Adding steering vectors to the model is a promising method of model control that is easier than finetuning, and may be more robust than prompting. However, it can be difficult to anticipate the effects of steering vectors produced by almost all existing methods, such as CAA (Panickssery et al., 2024) or the direct use of SAE latents (Templeton et al., 2024). In our work, we address this issue by using SAEs to measure the effects of steering vectors, giving us a method that can be used to understand the causal effect of any steering vector intervention. We use this method for measuring causal effects to develop an improved steering method, SAE-Targeted Steering (SAE-TS), which finds steering vectors to target specific SAE features while minimizing unintended side effects. We show that overall, SAE-TS balances steering effects with coherence better than CAA and SAE feature steering, when evaluated on a range of tasks.

Popular guidance for denoising diffusion probabilistic model (DDPM) linearly combines distinct conditional models together to provide enhanced control over samples. However, this approach overlooks nonlinear effects that become significant when guidance scale is large. To address this issue, we propose characteristic guidance, a guidance method that provides first-principle non-linear correction for classifier-free guidance. Such correction forces the guided DDPMs to respect the Fokker-Planck (FP) equation of diffusion process, in a way that is training-free and compatible with existing sampling methods. Experiments show that characteristic guidance enhances semantic characteristics of prompts and mitigate irregularities in image generation, proving effective in diverse applications ranging from simulating magnet phase transitions to latent space sampling.

We introduce a new family of physics-inspired generative models termed PFGM++ that unifies diffusion models and Poisson Flow Generative Models (PFGM). These models realize generative trajectories for N dimensional data by embedding paths in N{+}D dimensional space while still controlling the progression with a simple scalar norm of the D additional variables. The new models reduce to PFGM when D{=}1 and to diffusion models when D{to}infty. The flexibility of choosing D allows us to trade off robustness against rigidity as increasing D results in more concentrated coupling between the data and the additional variable norms. We dispense with the biased large batch field targets used in PFGM and instead provide an unbiased perturbation-based objective similar to diffusion models. To explore different choices of D, we provide a direct alignment method for transferring well-tuned hyperparameters from diffusion models (D{to} infty) to any finite D values. Our experiments show that models with finite D can be superior to previous state-of-the-art diffusion models on CIFAR-10/FFHQ 64{times}64 datasets, with FID scores of 1.91/2.43 when D{=}2048/128. In class-conditional setting, D{=}2048 yields current state-of-the-art FID of 1.74 on CIFAR-10. In addition, we demonstrate that models with smaller D exhibit improved robustness against modeling errors. Code is available at https://github.com/Newbeeer/pfgmpp

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate predictions for a range of affinity values associated with ligand-protein interactions on out-of-sample data in a zero-shot setting. Only the SMILES string of the ligand and the amino acid sequence of the protein were used as the model inputs. Our results demonstrate a clear improvement over machine learning (ML) and free-energy perturbation (FEP+) based methods in accurately predicting a range of ligand-protein interaction affinities, which can be leveraged to further accelerate drug discovery campaigns against challenging therapeutic targets.

Large language models (LLMs) can often be made to behave in undesirable ways that they are explicitly fine-tuned not to. For example, the LLM red-teaming literature has produced a wide variety of 'jailbreaking' techniques to elicit harmful text from models that were fine-tuned to be harmless. Recent work on red-teaming, model editing, and interpretability suggests that this challenge stems from how (adversarial) fine-tuning largely serves to suppress rather than remove undesirable capabilities from LLMs. Prior work has introduced latent adversarial training (LAT) as a way to improve robustness to broad classes of failures. These prior works have considered untargeted latent space attacks where the adversary perturbs latent activations to maximize loss on examples of desirable behavior. Untargeted LAT can provide a generic type of robustness but does not leverage information about specific failure modes. Here, we experiment with targeted LAT where the adversary seeks to minimize loss on a specific competing task. We find that it can augment a wide variety of state-of-the-art methods. First, we use targeted LAT to improve robustness to jailbreaks, outperforming a strong R2D2 baseline with orders of magnitude less compute. Second, we use it to more effectively remove backdoors with no knowledge of the trigger. Finally, we use it to more effectively unlearn knowledge for specific undesirable tasks in a way that is also more robust to re-learning. Overall, our results suggest that targeted LAT can be an effective tool for defending against harmful behaviors from LLMs.

When the performance of a machine learning model varies over groups defined by sensitive attributes (e.g., gender or ethnicity), the performance disparity can be expressed in terms of the probability distributions of the input and output variables over each group. In this paper, we exploit this fact to reduce the disparate impact of a fixed classification model over a population of interest. Given a black-box classifier, we aim to eliminate the performance gap by perturbing the distribution of input variables for the disadvantaged group. We refer to the perturbed distribution as a counterfactual distribution, and characterize its properties for common fairness criteria. We introduce a descent algorithm to learn a counterfactual distribution from data. We then discuss how the estimated distribution can be used to build a data preprocessor that can reduce disparate impact without training a new model. We validate our approach through experiments on real-world datasets, showing that it can repair different forms of disparity without a significant drop in accuracy.

Assessing scientific claims requires identifying, extracting, and reasoning with multimodal data expressed in information-rich figures in scientific literature. Despite the large body of work in scientific QA, figure captioning, and other multimodal reasoning tasks over chart-based data, there are no readily usable multimodal benchmarks that directly test claim verification abilities. To remedy this gap, we introduce a new benchmark MuSciClaims accompanied by diagnostics tasks. We automatically extract supported claims from scientific articles, which we manually perturb to produce contradicted claims. The perturbations are designed to test for a specific set of claim verification capabilities. We also introduce a suite of diagnostic tasks that help understand model failures. Our results show most vision-language models are poor (~0.3-0.5 F1), with even the best model only achieving 0.72 F1. They are also biased towards judging claims as supported, likely misunderstanding nuanced perturbations within the claims. Our diagnostics show models are bad at localizing correct evidence within figures, struggle with aggregating information across modalities, and often fail to understand basic components of the figure.

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

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

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.

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.

Recommender systems play a pivotal role in mitigating information overload in various fields. Nonetheless, the inherent openness of these systems introduces vulnerabilities, allowing attackers to insert fake users into the system's training data to skew the exposure of certain items, known as poisoning attacks. Adversarial training has emerged as a notable defense mechanism against such poisoning attacks within recommender systems. Existing adversarial training methods apply perturbations of the same magnitude across all users to enhance system robustness against attacks. Yet, in reality, we find that attacks often affect only a subset of users who are vulnerable. These perturbations of indiscriminate magnitude make it difficult to balance effective protection for vulnerable users without degrading recommendation quality for those who are not affected. To address this issue, our research delves into understanding user vulnerability. Considering that poisoning attacks pollute the training data, we note that the higher degree to which a recommender system fits users' training data correlates with an increased likelihood of users incorporating attack information, indicating their vulnerability. Leveraging these insights, we introduce the Vulnerability-aware Adversarial Training (VAT), designed to defend against poisoning attacks in recommender systems. VAT employs a novel vulnerability-aware function to estimate users' vulnerability based on the degree to which the system fits them. Guided by this estimation, VAT applies perturbations of adaptive magnitude to each user, not only reducing the success ratio of attacks but also preserving, and potentially enhancing, the quality of recommendations. Comprehensive experiments confirm VAT's superior defensive capabilities across different recommendation models and against various types of attacks.

Large Language Models (LLMs) possess the potential to exert substantial influence on public perceptions and interactions with information. This raises concerns about the societal impact that could arise if the ideologies within these models can be easily manipulated. In this work, we investigate how effectively LLMs can learn and generalize ideological biases from their instruction-tuning data. Our findings reveal a concerning vulnerability: exposure to only a small amount of ideologically driven samples significantly alters the ideology of LLMs. Notably, LLMs demonstrate a startling ability to absorb ideology from one topic and generalize it to even unrelated ones. The ease with which LLMs' ideologies can be skewed underscores the risks associated with intentionally poisoned training data by malicious actors or inadvertently introduced biases by data annotators. It also emphasizes the imperative for robust safeguards to mitigate the influence of ideological manipulations on LLMs.

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.

We propose a novel machine learning approach for inferring causal variables of a target variable from observations. Our focus is on directly inferring a set of causal factors without requiring full causal graph reconstruction, which is computationally challenging in large-scale systems. The identified causal set consists of all potential regulators of the target variable under experimental settings, enabling efficient regulation when intervention costs and feasibility vary across variables. To achieve this, we train a neural network using supervised learning on simulated data to infer causality. By employing a local-inference strategy, our approach scales with linear complexity in the number of variables, efficiently scaling up to thousands of variables. Empirical results demonstrate superior performance in identifying causal relationships within large-scale gene regulatory networks, outperforming existing methods that emphasize full-graph discovery. We validate our model's generalization capability across out-of-distribution graph structures and generating mechanisms, including gene regulatory networks of E. coli and the human K562 cell line. Implementation codes are available at https://github.com/snu-mllab/Targeted-Cause-Discovery.

We study growth of solid tumors in a partial differential equation model introduced by Hillen et al for the interaction between tumor cells (TCs) and cancer stem cells (CSCs). We find that invasion into the cancer-free state may be separated into two regimes, depending on the death rate of tumor cells. In the first, staged invasion regime, invasion into the cancer-free state is lead by tumor cells, which are then subsequently invaded at a slower speed by cancer stem cells. In the second, TC extinction regime, cancer stem cells directly invade the cancer-free state. Relying on recent results establishing front selection propagation under marginal stability assumptions, we use geometric singular perturbation theory to establish existence and selection properties of front solutions which describe both the primary and secondary invasion processes. With rigorous predictions for the invasion speeds, we are then able to heuristically predict how the total cancer mass as a function of time depends on the TC death rate, finding in some situations a tumor invasion paradox, in which increasing the TC death rate leads to an increase in the total cancer mass. Our methods give a general approach for verifying linear determinacy of spreading speeds of invasion fronts in systems with fast-slow structure.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

Catastrophic regime shifts in complex natural systems may be averted through advanced detection. Recent work has provided a proof-of-principle that many systems approaching a catastrophic transition may be identified through the lens of early warning indicators such as rising variance or increased return times. Despite widespread appreciation of the difficulties and uncertainty involved in such forecasts, proposed methods hardly ever characterize their expected error rates. Without the benefits of replicates, controls, or hindsight, applications of these approaches must quantify how reliable different indicators are in avoiding false alarms, and how sensitive they are to missing subtle warning signs. We propose a model based approach in order to quantify this trade-off between reliability and sensitivity and allow comparisons between different indicators. We show these error rates can be quite severe for common indicators even under favorable assumptions, and also illustrate how a model-based indicator can improve this performance. We demonstrate how the performance of an early warning indicator varies in different data sets, and suggest that uncertainty quantification become a more central part of early warning predictions.

The goal of predictive data attribution is to estimate how adding or removing a given set of training datapoints will affect model predictions. In convex settings, this goal is straightforward (i.e., via the infinitesimal jackknife). In large-scale (non-convex) settings, however, existing methods are far less successful -- current methods' estimates often only weakly correlate with ground truth. In this work, we present a new data attribution method (MAGIC) that combines classical methods and recent advances in metadifferentiation to (nearly) optimally estimate the effect of adding or removing training data on model predictions.

The new paradigm of finetuning-as-a-service introduces a new attack surface for Large Language Models (LLMs): a few harmful data uploaded by users can easily trick the finetuning to produce an alignment-broken model. We conduct an empirical analysis and uncover a harmful embedding drift phenomenon, showing a probable cause of the alignment-broken effect. Inspired by our findings, we propose Vaccine, a perturbation-aware alignment technique to mitigate the security risk of users finetuning. The core idea of Vaccine is to produce invariant hidden embeddings by progressively adding crafted perturbation to them in the alignment phase. This enables the embeddings to withstand harmful perturbation from un-sanitized user data in the finetuning phase. Our results on open source mainstream LLMs (e.g., Llama2, Opt, Vicuna) demonstrate that Vaccine can boost the robustness of alignment against harmful prompts induced embedding drift while reserving reasoning ability towards benign prompts. Our code is available at https://github.com/git-disl/Vaccine.

Integral to recent successes in deep reinforcement learning has been a class of temporal difference methods that use infrequently updated target values for policy evaluation in a Markov Decision Process. Yet a complete theoretical explanation for the effectiveness of target networks remains elusive. In this work, we provide an analysis of this popular class of algorithms, to finally answer the question: `why do target networks stabilise TD learning'? To do so, we formalise the notion of a partially fitted policy evaluation method, which describes the use of target networks and bridges the gap between fitted methods and semigradient temporal difference algorithms. Using this framework we are able to uniquely characterise the so-called deadly triad - the use of TD updates with (nonlinear) function approximation and off-policy data - which often leads to nonconvergent algorithms. This insight leads us to conclude that the use of target networks can mitigate the effects of poor conditioning in the Jacobian of the TD update. Instead, we show that under mild regularity conditions and a well tuned target network update frequency, convergence can be guaranteed even in the extremely challenging off-policy sampling and nonlinear function approximation setting.

State-of-the-art deep neural networks have achieved impressive results on many image classification tasks. However, these same architectures have been shown to be unstable to small, well sought, perturbations of the images. Despite the importance of this phenomenon, no effective methods have been proposed to accurately compute the robustness of state-of-the-art deep classifiers to such perturbations on large-scale datasets. In this paper, we fill this gap and propose the DeepFool algorithm to efficiently compute perturbations that fool deep networks, and thus reliably quantify the robustness of these classifiers. Extensive experimental results show that our approach outperforms recent methods in the task of computing adversarial perturbations and making classifiers more robust.

Evaluating deep reinforcement learning (DRL) agents against targeted behavior attacks is critical for assessing their robustness. These attacks aim to manipulate the victim into specific behaviors that align with the attacker's objectives, often bypassing traditional reward-based defenses. Prior methods have primarily focused on reducing cumulative rewards; however, rewards are typically too generic to capture complex safety requirements effectively. As a result, focusing solely on reward reduction can lead to suboptimal attack strategies, particularly in safety-critical scenarios where more precise behavior manipulation is needed. To address these challenges, we propose RAT, a method designed for universal, targeted behavior attacks. RAT trains an intention policy that is explicitly aligned with human preferences, serving as a precise behavioral target for the adversary. Concurrently, an adversary manipulates the victim's policy to follow this target behavior. To enhance the effectiveness of these attacks, RAT dynamically adjusts the state occupancy measure within the replay buffer, allowing for more controlled and effective behavior manipulation. Our empirical results on robotic simulation tasks demonstrate that RAT outperforms existing adversarial attack algorithms in inducing specific behaviors. Additionally, RAT shows promise in improving agent robustness, leading to more resilient policies. We further validate RAT by guiding Decision Transformer agents to adopt behaviors aligned with human preferences in various MuJoCo tasks, demonstrating its effectiveness across diverse tasks.

LLMs are increasingly being used in workflows involving generating content to be consumed by humans (e.g., marketing) and also in directly interacting with humans (e.g., through chatbots). The development of such systems that are capable of generating verifiably persuasive messages presents both opportunities and challenges for society. On the one hand, such systems could positively impact domains like advertising and social good, such as addressing drug addiction, and on the other, they could be misused for spreading misinformation and shaping political opinions. To channel LLMs' impact on society, we need to develop systems to measure and benchmark their persuasiveness. With this motivation, we introduce PersuasionBench and PersuasionArena, the first large-scale benchmark and arena containing a battery of tasks to measure the persuasion ability of generative models automatically. We investigate to what extent LLMs know and leverage linguistic patterns that can help them generate more persuasive language. Our findings indicate that the persuasiveness of LLMs correlates positively with model size, but smaller models can also be made to have a higher persuasiveness than much larger models. Notably, targeted training using synthetic and natural datasets significantly enhances smaller models' persuasive capabilities, challenging scale-dependent assumptions. Our findings carry key implications for both model developers and policymakers. For instance, while the EU AI Act and California's SB-1047 aim to regulate AI models based on the number of floating point operations, we demonstrate that simple metrics like this alone fail to capture the full scope of AI's societal impact. We invite the community to explore and contribute to PersuasionArena and PersuasionBench, available at https://bit.ly/measure-persuasion, to advance our understanding of AI-driven persuasion and its societal implications.

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

Instrumental variable methods have been widely used to identify causal effects in the presence of unmeasured confounding. A key identification condition known as the exclusion restriction states that the instrument cannot have a direct effect on the outcome which is not mediated by the exposure in view. In the health and social sciences, such an assumption is often not credible. To address this concern, we consider identification conditions of the population average treatment effect with an invalid instrumental variable which does not satisfy the exclusion restriction, and derive the efficient influence function targeting the identifying functional under a nonparametric observed data model. We propose a novel multiply robust locally efficient estimator of the average treatment effect that is consistent in the union of multiple parametric nuisance models, as well as a multiply debiased machine learning estimator for which the nuisance parameters are estimated using generic machine learning methods, that effectively exploit various forms of linear or nonlinear structured sparsity in the nuisance parameter space. When one cannot be confident that any of these machine learners is consistent at sufficiently fast rates to ensure n-consistency for the average treatment effect, we introduce a new criteria for selective machine learning which leverages the multiple robustness property in order to ensure small bias. The proposed methods are illustrated through extensive simulations and a data analysis evaluating the causal effect of 401(k) participation on savings.

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.

There has been considerable recent interest in scoring properties on the basis of eviction risk. The success of methods for eviction prediction is typically evaluated using different measures of predictive accuracy. However, the underlying goal of such prediction is to direct appropriate assistance to households that may be at greater risk so they remain stably housed. Thus, we must ask the question of how useful such predictions are in targeting outreach efforts - informing action. In this paper, we investigate this question using a novel dataset that matches information on properties, evictions, and owners. We perform an eviction prediction task to produce risk scores and then use these risk scores to plan targeted outreach policies. We show that the risk scores are, in fact, useful, enabling a theoretical team of caseworkers to reach more eviction-prone properties in the same amount of time, compared to outreach policies that are either neighborhood-based or focus on buildings with a recent history of evictions. We also discuss the importance of neighborhood and ownership features in both risk prediction and targeted outreach.

Personalized treatment effect estimates are often of interest in high-stakes applications -- thus, before deploying a model estimating such effects in practice, one needs to be sure that the best candidate from the ever-growing machine learning toolbox for this task was chosen. Unfortunately, due to the absence of counterfactual information in practice, it is usually not possible to rely on standard validation metrics for doing so, leading to a well-known model selection dilemma in the treatment effect estimation literature. While some solutions have recently been investigated, systematic understanding of the strengths and weaknesses of different model selection criteria is still lacking. In this paper, instead of attempting to declare a global `winner', we therefore empirically investigate success- and failure modes of different selection criteria. We highlight that there is a complex interplay between selection strategies, candidate estimators and the data used for comparing them, and provide interesting insights into the relative (dis)advantages of different criteria alongside desiderata for the design of further illuminating empirical studies in this context.

Predicting how different interventions will causally affect a specific individual is important in a variety of domains such as personalized medicine, public policy, and online marketing. There are a large number of methods to predict the effect of an existing intervention based on historical data from individuals who received it. However, in many settings it is important to predict the effects of novel interventions (e.g., a newly invented drug), which these methods do not address. Here, we consider zero-shot causal learning: predicting the personalized effects of a novel intervention. We propose CaML, a causal meta-learning framework which formulates the personalized prediction of each intervention's effect as a task. CaML trains a single meta-model across thousands of tasks, each constructed by sampling an intervention, along with its recipients and nonrecipients. By leveraging both intervention information (e.g., a drug's attributes) and individual features~(e.g., a patient's history), CaML is able to predict the personalized effects of novel interventions that do not exist at the time of training. Experimental results on real world datasets in large-scale medical claims and cell-line perturbations demonstrate the effectiveness of our approach. Most strikingly, CaML's zero-shot predictions outperform even strong baselines trained directly on data from the test interventions.

Model uncertainty and limited data are fundamental challenges to robust management of human intervention in a natural system. These challenges are acutely highlighted by concerns that many ecological systems may contain tipping points, such as Allee population sizes. Before a collapse, we do not know where the tipping points lie, if they exist at all. Hence, we know neither a complete model of the system dynamics nor do we have access to data in some large region of state-space where such a tipping point might exist. We illustrate how a Bayesian Non-Parametric (BNP) approach using a Gaussian Process (GP) prior provides a flexible representation of this inherent uncertainty. We embed GPs in a Stochastic Dynamic Programming (SDP) framework in order to make robust management predictions with both model uncertainty and limited data. We use simulations to evaluate this approach as compared with the standard approach of using model selection to choose from a set of candidate models. We find that model selection erroneously favors models without tipping points -- leading to harvest policies that guarantee extinction. The GPDP performs nearly as well as the true model and significantly outperforms standard approaches. We illustrate this using examples of simulated single-species dynamics, where the standard model selection approach should be most effective, and find that it still fails to account for uncertainty appropriately and leads to population crashes, while management based on the GPDP does not, since it does not underestimate the uncertainty outside of the observed data.

This paper introduces ChatbotManip, a novel dataset for studying manipulation in Chatbots. It contains simulated generated conversations between a chatbot and a (simulated) user, where the chatbot is explicitly asked to showcase manipulation tactics, persuade the user towards some goal, or simply be helpful. We consider a diverse set of chatbot manipulation contexts, from consumer and personal advice to citizen advice and controversial proposition argumentation. Each conversation is annotated by human annotators for both general manipulation and specific manipulation tactics. Our research reveals three key findings. First, Large Language Models (LLMs) can be manipulative when explicitly instructed, with annotators identifying manipulation in approximately 84\% of such conversations. Second, even when only instructed to be ``persuasive'' without explicit manipulation prompts, LLMs frequently default to controversial manipulative strategies, particularly gaslighting and fear enhancement. Third, small fine-tuned open source models, such as BERT+BiLSTM have a performance comparable to zero-shot classification with larger models like Gemini 2.5 pro in detecting manipulation, but are not yet reliable for real-world oversight. Our work provides important insights for AI safety research and highlights the need of addressing manipulation risks as LLMs are increasingly deployed in consumer-facing applications.

Despite advances in large language models (LLMs) on reasoning and instruction-following benchmarks, it remains unclear whether they can reliably produce outputs aligned with a broad variety of user goals, a concept we refer to as steerability. The abundance of methods proposed to modify LLM behavior makes it unclear whether current LLMs are already steerable, or require further intervention. In particular, LLMs may exhibit (i) poor coverage, where rare user goals are underrepresented; (ii) miscalibration, where models overshoot requests; and (iii) side effects, where changes to one dimension of text inadvertently affect others. To systematically evaluate these failures, we introduce a framework based on a multi-dimensional goal space that models user goals and LLM outputs as vectors with dimensions corresponding to text attributes (e.g., reading difficulty). Applied to a text-rewriting task, we find that current LLMs struggle with steerability, as side effects are persistent. Interventions to improve steerability, such as prompt engineering, best-of-N sampling, and reinforcement learning fine-tuning, have varying effectiveness, yet side effects remain problematic. Our findings suggest that even strong LLMs struggle with steerability, and existing alignment strategies may be insufficient. We open-source our steerability evaluation framework at https://github.com/MLD3/steerability.

Modern machine learning models are sensitive to the manipulation of both the training data (poisoning attacks) and inference data (adversarial examples). Recognizing this issue, the community has developed many empirical defenses against both attacks and, more recently, provable certification methods against inference-time attacks. However, such guarantees are still largely lacking for training-time attacks. In this work, we present FullCert, the first end-to-end certifier with sound, deterministic bounds, which proves robustness against both training-time and inference-time attacks. We first bound all possible perturbations an adversary can make to the training data under the considered threat model. Using these constraints, we bound the perturbations' influence on the model's parameters. Finally, we bound the impact of these parameter changes on the model's prediction, resulting in joint robustness guarantees against poisoning and adversarial examples. To facilitate this novel certification paradigm, we combine our theoretical work with a new open-source library BoundFlow, which enables model training on bounded datasets. We experimentally demonstrate FullCert's feasibility on two different datasets.

Design of reliable systems must guarantee stability against input perturbations. In machine learning, such guarantee entails preventing overfitting and ensuring robustness of models against corruption of input data. In order to maximize stability, we analyze and develop a computationally efficient implementation of Jacobian regularization that increases classification margins of neural networks. The stabilizing effect of the Jacobian regularizer leads to significant improvements in robustness, as measured against both random and adversarial input perturbations, without severely degrading generalization properties on clean data.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far, differentiable causal discovery has focused on static datasets of observational or fixed interventional origin. In this work, we introduce an active intervention targeting (AIT) method which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across multiple frameworks in a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data.

A major barrier to deploying current machine learning models lies in their non-reliability to dataset shifts. To resolve this problem, most existing studies attempted to transfer stable information to unseen environments. Particularly, independent causal mechanisms-based methods proposed to remove mutable causal mechanisms via the do-operator. Compared to previous methods, the obtained stable predictors are more effective in identifying stable information. However, a key question remains: which subset of this whole stable information should the model transfer, in order to achieve optimal generalization ability? To answer this question, we present a comprehensive minimax analysis from a causal perspective. Specifically, we first provide a graphical condition for the whole stable set to be optimal. When this condition fails, we surprisingly find with an example that this whole stable set, although can fully exploit stable information, is not the optimal one to transfer. To identify the optimal subset under this case, we propose to estimate the worst-case risk with a novel optimization scheme over the intervention functions on mutable causal mechanisms. We then propose an efficient algorithm to search for the subset with minimal worst-case risk, based on a newly defined equivalence relation between stable subsets. Compared to the exponential cost of exhaustively searching over all subsets, our searching strategy enjoys a polynomial complexity. The effectiveness and efficiency of our methods are demonstrated on synthetic data and the diagnosis of Alzheimer's disease.

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.

When users can benefit from certain predictive outcomes, they may be prone to act to achieve those outcome, e.g., by strategically modifying their features. The goal in strategic classification is therefore to train predictive models that are robust to such behavior. However, the conventional framework assumes that changing features does not change actual outcomes, which depicts users as "gaming" the system. Here we remove this assumption, and study learning in a causal strategic setting where true outcomes do change. Focusing on accuracy as our primary objective, we show how strategic behavior and causal effects underlie two complementing forms of distribution shift. We characterize these shifts, and propose a learning algorithm that balances between these two forces and over time, and permits end-to-end training. Experiments on synthetic and semi-synthetic data demonstrate the utility of our approach.

We propose constrained causal Bayesian optimization (cCBO), an approach for finding interventions in a known causal graph that optimize a target variable under some constraints. cCBO first reduces the search space by exploiting the graph structure and, if available, an observational dataset; and then solves the restricted optimization problem by modelling target and constraint quantities using Gaussian processes and by sequentially selecting interventions via a constrained expected improvement acquisition function. We propose different surrogate models that enable to integrate observational and interventional data while capturing correlation among effects with increasing levels of sophistication. We evaluate cCBO on artificial and real-world causal graphs showing successful trade off between fast convergence and percentage of feasible interventions.

Existing machine learning methods for causal inference usually estimate quantities expressed via the mean of potential outcomes (e.g., average treatment effect). However, such quantities do not capture the full information about the distribution of potential outcomes. In this work, we estimate the density of potential outcomes after interventions from observational data. For this, we propose a novel, fully-parametric deep learning method called Interventional Normalizing Flows. Specifically, we combine two normalizing flows, namely (i) a nuisance flow for estimating nuisance parameters and (ii) a target flow for parametric estimation of the density of potential outcomes. We further develop a tractable optimization objective based on a one-step bias correction for efficient and doubly robust estimation of the target flow parameters. As a result, our Interventional Normalizing Flows offer a properly normalized density estimator. Across various experiments, we demonstrate that our Interventional Normalizing Flows are expressive and highly effective, and scale well with both sample size and high-dimensional confounding. To the best of our knowledge, our Interventional Normalizing Flows are the first proper fully-parametric, deep learning method for density estimation of potential outcomes.

With the proliferation of red-teaming strategies for Large Language Models (LLMs), the deficiency in the literature about improving the safety and robustness of LLM defense strategies is becoming increasingly pronounced. This paper introduces the LLM-based sentinel model as a plug-and-play prefix module designed to reconstruct the input prompt with just a few (<30) additional tokens, effectively reducing toxicity in responses from target LLMs. The sentinel model naturally overcomes the parameter inefficiency and limited model accessibility for fine-tuning large target models. We employ an interleaved training regimen using Proximal Policy Optimization (PPO) to optimize both red team and sentinel models dynamically, incorporating a value head-sharing mechanism inspired by the multi-agent centralized critic to manage the complex interplay between agents. Our extensive experiments across text-to-text and text-to-image demonstrate the effectiveness of our approach in mitigating toxic outputs, even when dealing with larger models like Llama-2, GPT-3.5 and Stable-Diffusion, highlighting the potential of our framework in enhancing safety and robustness in various applications.

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.

Machine learning (ML) holds great potential for accurately forecasting treatment outcomes over time, which could ultimately enable the adoption of more individualized treatment strategies in many practical applications. However, a significant challenge that has been largely overlooked by the ML literature on this topic is the presence of informative sampling in observational data. When instances are observed irregularly over time, sampling times are typically not random, but rather informative -- depending on the instance's characteristics, past outcomes, and administered treatments. In this work, we formalize informative sampling as a covariate shift problem and show that it can prohibit accurate estimation of treatment outcomes if not properly accounted for. To overcome this challenge, we present a general framework for learning treatment outcomes in the presence of informative sampling using inverse intensity-weighting, and propose a novel method, TESAR-CDE, that instantiates this framework using Neural CDEs. Using a simulation environment based on a clinical use case, we demonstrate the effectiveness of our approach in learning under informative sampling.

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.

We analyze the DP (differential privacy) properties of the quantum recommendation algorithm and the quantum-inspired-classical recommendation algorithm. We discover that the quantum recommendation algorithm is a privacy curating mechanism on its own, requiring no external noise, which is different from traditional differential privacy mechanisms. In our analysis, a novel perturbation method tailored for SVD (singular value decomposition) and low-rank matrix approximation problems is introduced. Using the perturbation method and random matrix theory, we are able to derive that both the quantum and quantum-inspired-classical algorithms are big(mathcal{O}big(frac 1nbig),,, mathcal{O}big(1{min{m,n}}big)big)-DP under some reasonable restrictions, where m and n are numbers of users and products in the input preference database respectively. Nevertheless, a comparison shows that the quantum algorithm has better privacy preserving potential than the classical one.

Several machine learning models, including neural networks, consistently misclassify adversarial examples---inputs formed by applying small but intentionally worst-case perturbations to examples from the dataset, such that the perturbed input results in the model outputting an incorrect answer with high confidence. Early attempts at explaining this phenomenon focused on nonlinearity and overfitting. We argue instead that the primary cause of neural networks' vulnerability to adversarial perturbation is their linear nature. This explanation is supported by new quantitative results while giving the first explanation of the most intriguing fact about them: their generalization across architectures and training sets. Moreover, this view yields a simple and fast method of generating adversarial examples. Using this approach to provide examples for adversarial training, we reduce the test set error of a maxout network on the MNIST dataset.

Guidance is a crucial technique for extracting the best performance out of image-generating diffusion models. Traditionally, a constant guidance weight has been applied throughout the sampling chain of an image. We show that guidance is clearly harmful toward the beginning of the chain (high noise levels), largely unnecessary toward the end (low noise levels), and only beneficial in the middle. We thus restrict it to a specific range of noise levels, improving both the inference speed and result quality. This limited guidance interval improves the record FID in ImageNet-512 significantly, from 1.81 to 1.40. We show that it is quantitatively and qualitatively beneficial across different sampler parameters, network architectures, and datasets, including the large-scale setting of Stable Diffusion XL. We thus suggest exposing the guidance interval as a hyperparameter in all diffusion models that use guidance.

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.

Extracting causal relationships from observed correlations is a growing area in probabilistic reasoning, originating with the seminal work of Pearl and others from the early 1990s. This paper develops a new, categorically oriented view based on a clear distinction between syntax (string diagrams) and semantics (stochastic matrices), connected via interpretations as structure-preserving functors. A key notion in the identification of causal effects is that of an intervention, whereby a variable is forcefully set to a particular value independent of any prior propensities. We represent the effect of such an intervention as an endofunctor which performs `string diagram surgery' within the syntactic category of string diagrams. This diagram surgery in turn yields a new, interventional distribution via the interpretation functor. While in general there is no way to compute interventional distributions purely from observed data, we show that this is possible in certain special cases using a calculational tool called comb disintegration. We demonstrate the use of this technique on a well-known toy example, where we predict the causal effect of smoking on cancer in the presence of a confounding common cause. After developing this specific example, we show this technique provides simple sufficient conditions for computing interventions which apply to a wide variety of situations considered in the causal inference literature.

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.

Reinforcement Learning from Human Feedback (RLHF) is a popular method for aligning Language Models (LM) with human values and preferences. RLHF requires a large number of preference pairs as training data, which are often used in both the Supervised Fine-Tuning and Reward Model training and therefore publicly available datasets are commonly used. In this work, we study to what extent a malicious actor can manipulate the LMs generations by poisoning the preferences, i.e., injecting poisonous preference pairs into these datasets and the RLHF training process. We propose strategies to build poisonous preference pairs and test their performance by poisoning two widely used preference datasets. Our results show that preference poisoning is highly effective: injecting a small amount of poisonous data (1-5\% of the original dataset), we can effectively manipulate the LM to generate a target entity in a target sentiment (positive or negative). The findings from our experiments also shed light on strategies to defend against the preference poisoning attack.

The advent of instruction-tuned Large Language Models designed for coding tasks (Code LLMs) has transformed software engineering practices. However, their robustness against various input challenges remains a critical concern. This study introduces DegradePrompter, a novel method designed to systematically evaluate the robustness of instruction-tuned Code LLMs. We assess the impact of diverse input challenges on the functionality and correctness of generated code using rigorous metrics and established benchmarks. Our comprehensive evaluation includes five state-of-the-art open-source models and three production-grade closed-source models, revealing varying degrees of robustness. Open-source models demonstrate an increased susceptibility to input perturbations, resulting in declines in functional correctness ranging from 12% to 34%. In contrast, commercial models demonstrate relatively greater resilience, with performance degradation ranging from 3% to 24%. To enhance the robustness of the models against these vulnerabilities, we investigate a straightforward yet effective mitigation strategy. Our findings highlight the need for robust defense mechanisms and comprehensive evaluations during both the development and deployment phases to ensure the resilience and reliability of automated code generation systems.

Instruction-tuned LMs such as ChatGPT, FLAN, and InstructGPT are finetuned on datasets that contain user-submitted examples, e.g., FLAN aggregates numerous open-source datasets and OpenAI leverages examples submitted in the browser playground. In this work, we show that adversaries can contribute poison examples to these datasets, allowing them to manipulate model predictions whenever a desired trigger phrase appears in the input. For example, when a downstream user provides an input that mentions "Joe Biden", a poisoned LM will struggle to classify, summarize, edit, or translate that input. To construct these poison examples, we optimize their inputs and outputs using a bag-of-words approximation to the LM. We evaluate our method on open-source instruction-tuned LMs. By using as few as 100 poison examples, we can cause arbitrary phrases to have consistent negative polarity or induce degenerate outputs across hundreds of held-out tasks. Worryingly, we also show that larger LMs are increasingly vulnerable to poisoning and that defenses based on data filtering or reducing model capacity provide only moderate protections while reducing test accuracy.

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.

Model distillation has become essential for creating smaller, deployable language models that retain larger system capabilities. However, widespread deployment raises concerns about resilience to adversarial manipulation. This paper investigates vulnerability of distilled models to adversarial injection of biased content during training. We demonstrate that adversaries can inject subtle biases into teacher models through minimal data poisoning, which propagates to student models and becomes significantly amplified. We propose two propagation modes: Untargeted Propagation, where bias affects multiple tasks, and Targeted Propagation, focusing on specific tasks while maintaining normal behavior elsewhere. With only 25 poisoned samples (0.25% poisoning rate), student models generate biased responses 76.9% of the time in targeted scenarios - higher than 69.4% in teacher models. For untargeted propagation, adversarial bias appears 6x-29x more frequently in student models on unseen tasks. We validate findings across six bias types (targeted advertisements, phishing links, narrative manipulations, insecure coding practices), various distillation methods, and different modalities spanning text and code generation. Our evaluation reveals shortcomings in current defenses - perplexity filtering, bias detection systems, and LLM-based autorater frameworks - against these attacks. Results expose significant security vulnerabilities in distilled models, highlighting need for specialized safeguards. We propose practical design principles for building effective adversarial bias mitigation strategies.

As large language models become increasingly integrated into daily life, audio has emerged as a key interface for human-AI interaction. However, this convenience also introduces new vulnerabilities, making audio a potential attack surface for adversaries. Our research introduces WhisperInject, a two-stage adversarial audio attack framework that can manipulate state-of-the-art audio language models to generate harmful content. Our method uses imperceptible perturbations in audio inputs that remain benign to human listeners. The first stage uses a novel reward-based optimization method, Reinforcement Learning with Projected Gradient Descent (RL-PGD), to guide the target model to circumvent its own safety protocols and generate harmful native responses. This native harmful response then serves as the target for Stage 2, Payload Injection, where we use Projected Gradient Descent (PGD) to optimize subtle perturbations that are embedded into benign audio carriers, such as weather queries or greeting messages. Validated under the rigorous StrongREJECT, LlamaGuard, as well as Human Evaluation safety evaluation framework, our experiments demonstrate a success rate exceeding 86% across Qwen2.5-Omni-3B, Qwen2.5-Omni-7B, and Phi-4-Multimodal. Our work demonstrates a new class of practical, audio-native threats, moving beyond theoretical exploits to reveal a feasible and covert method for manipulating AI behavior.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

Proximal causal learning is a promising framework for identifying the causal effect under the existence of unmeasured confounders. Within this framework, the doubly robust (DR) estimator was derived and has shown its effectiveness in estimation, especially when the model assumption is violated. However, the current form of the DR estimator is restricted to binary treatments, while the treatment can be continuous in many real-world applications. The primary obstacle to continuous treatments resides in the delta function present in the original DR estimator, making it infeasible in causal effect estimation and introducing a heavy computational burden in nuisance function estimation. To address these challenges, we propose a kernel-based DR estimator that can well handle continuous treatments. Equipped with its smoothness, we show that its oracle form is a consistent approximation of the influence function. Further, we propose a new approach to efficiently solve the nuisance functions. We then provide a comprehensive convergence analysis in terms of the mean square error. We demonstrate the utility of our estimator on synthetic datasets and real-world applications.

In causal inference, estimating heterogeneous treatment effects (HTE) is critical for identifying how different subgroups respond to interventions, with broad applications in fields such as precision medicine and personalized advertising. Although HTE estimation methods aim to improve accuracy, how to provide explicit subgroup descriptions remains unclear, hindering data interpretation and strategic intervention management. In this paper, we propose CURLS, a novel rule learning method leveraging HTE, which can effectively describe subgroups with significant treatment effects. Specifically, we frame causal rule learning as a discrete optimization problem, finely balancing treatment effect with variance and considering the rule interpretability. We design an iterative procedure based on the minorize-maximization algorithm and solve a submodular lower bound as an approximation for the original. Quantitative experiments and qualitative case studies verify that compared with state-of-the-art methods, CURLS can find subgroups where the estimated and true effects are 16.1% and 13.8% higher and the variance is 12.0% smaller, while maintaining similar or better estimation accuracy and rule interpretability. Code is available at https://osf.io/zwp2k/.

For observational studies, we study the sensitivity of causal inference when treatment assignments may depend on unobserved confounders. We develop a loss minimization approach for estimating bounds on the conditional average treatment effect (CATE) when unobserved confounders have a bounded effect on the odds ratio of treatment selection. Our approach is scalable and allows flexible use of model classes in estimation, including nonparametric and black-box machine learning methods. Based on these bounds for the CATE, we propose a sensitivity analysis for the average treatment effect (ATE). Our semi-parametric estimator extends/bounds the augmented inverse propensity weighted (AIPW) estimator for the ATE under bounded unobserved confounding. By constructing a Neyman orthogonal score, our estimator of the bound for the ATE is a regular root-n estimator so long as the nuisance parameters are estimated at the o_p(n^{-1/4}) rate. We complement our methodology with optimality results showing that our proposed bounds are tight in certain cases. We demonstrate our method on simulated and real data examples, and show accurate coverage of our confidence intervals in practical finite sample regimes with rich covariate information.

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.

In this paper, we focus on quantifying model stability as a function of random seed by investigating the effects of the induced randomness on model performance and the robustness of the model in general. We specifically perform a controlled study on the effect of random seeds on the behaviour of attention, gradient-based and surrogate model based (LIME) interpretations. Our analysis suggests that random seeds can adversely affect the consistency of models resulting in counterfactual interpretations. We propose a technique called Aggressive Stochastic Weight Averaging (ASWA)and an extension called Norm-filtered Aggressive Stochastic Weight Averaging (NASWA) which improves the stability of models over random seeds. With our ASWA and NASWA based optimization, we are able to improve the robustness of the original model, on average reducing the standard deviation of the model's performance by 72%.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

We tackle the challenge of large-scale network intervention for guiding excitatory point processes, such as infectious disease spread or traffic congestion control. Our model-based reinforcement learning utilizes neural ODEs to capture how the networked excitatory point processes will evolve subject to the time-varying changes in network topology. Our approach incorporates Gradient-Descent based Model Predictive Control (GD-MPC), offering policy flexibility to accommodate prior knowledge and constraints. To address the intricacies of planning and overcome the high dimensionality inherent to such decision-making problems, we design an Amortize Network Interventions (ANI) framework, allowing for the pooling of optimal policies from history and other contexts, while ensuring a permutation equivalent property. This property enables efficient knowledge transfer and sharing across diverse contexts. Our approach has broad applications, from curbing infectious disease spread to reducing carbon emissions through traffic light optimization, and thus has the potential to address critical societal and environmental challenges.

The realization that complex systems such as ecological communities can collapse or shift regimes suddenly and without rapid external forcing poses a serious challenge to our understanding and management of the natural world. The potential to identify early warning signals that would allow researchers and managers to predict such events before they happen has therefore been an invaluable discovery that offers a way forward in spite of such seemingly unpredictable behavior. Research into early warning signals has demonstrated that it is possible to define and detect such early warning signals in advance of a transition in certain contexts. Here we describe the pattern emerging as research continues to explore just how far we can generalize these results. A core of examples emerges that shares three properties: the phenomenon of rapid regime shifts, a pattern of 'critical slowing down' that can be used to detect the approaching shift, and a mechanism of bifurcation driving the sudden change. As research has expanded beyond these core examples, it is becoming clear that not all systems that show regime shifts exhibit critical slowing down, or vice versa. Even when systems exhibit critical slowing down, statistical detection is a challenge. We review the literature that explores these edge cases and highlight the need for (a) new early warning behaviors that can be used in cases where rapid shifts do not exhibit critical slowing down, (b) the development of methods to identify which behavior might be an appropriate signal when encountering a novel system; bearing in mind that a positive indication for some systems is a negative indication in others, and (c) statistical methods that can distinguish between signatures of early warning behaviors and noise.

Machine learning provides a powerful tool for building socially compliant robotic systems that go beyond simple predictive models of human behavior. By observing and understanding human interactions from past experiences, learning can enable effective social navigation behaviors directly from data. In this paper, our goal is to develop methods for training policies for socially unobtrusive navigation, such that robots can navigate among humans in ways that don't disturb human behavior. We introduce a definition for such behavior based on the counterfactual perturbation of the human: if the robot had not intruded into the space, would the human have acted in the same way? By minimizing this counterfactual perturbation, we can induce robots to behave in ways that do not alter the natural behavior of humans in the shared space. Instantiating this principle requires training policies to minimize their effect on human behavior, and this in turn requires data that allows us to model the behavior of humans in the presence of robots. Therefore, our approach is based on two key contributions. First, we collect a large dataset where an indoor mobile robot interacts with human bystanders. Second, we utilize this dataset to train policies that minimize counterfactual perturbation. We provide supplementary videos and make publicly available the largest-of-its-kind visual navigation dataset on our project page.

We study regressions with multiple treatments and a set of controls that is flexible enough to purge omitted variable bias. We show that these regressions generally fail to estimate convex averages of heterogeneous treatment effects -- instead, estimates of each treatment's effect are contaminated by non-convex averages of the effects of other treatments. We discuss three estimation approaches that avoid such contamination bias, including the targeting of easiest-to-estimate weighted average effects. A re-analysis of nine empirical applications finds economically and statistically meaningful contamination bias in observational studies; contamination bias in experimental studies is more limited due to smaller variability in propensity scores.

Artificial Intelligence (AI) systems are increasingly intertwined with daily life, assisting users in executing various tasks and providing guidance on decision-making. This integration introduces risks of AI-driven manipulation, where such systems may exploit users' cognitive biases and emotional vulnerabilities to steer them toward harmful outcomes. Through a randomized controlled trial with 233 participants, we examined human susceptibility to such manipulation in financial (e.g., purchases) and emotional (e.g., conflict resolution) decision-making contexts. Participants interacted with one of three AI agents: a neutral agent (NA) optimizing for user benefit without explicit influence, a manipulative agent (MA) designed to covertly influence beliefs and behaviors, or a strategy-enhanced manipulative agent (SEMA) employing explicit psychological tactics to reach its hidden objectives. By analyzing participants' decision patterns and shifts in their preference ratings post-interaction, we found significant susceptibility to AI-driven manipulation. Particularly, across both decision-making domains, participants interacting with the manipulative agents shifted toward harmful options at substantially higher rates (financial, MA: 62.3%, SEMA: 59.6%; emotional, MA: 42.3%, SEMA: 41.5%) compared to the NA group (financial, 35.8%; emotional, 12.8%). Notably, our findings reveal that even subtle manipulative objectives (MA) can be as effective as employing explicit psychological strategies (SEMA) in swaying human decision-making. By revealing the potential for covert AI influence, this study highlights a critical vulnerability in human-AI interactions, emphasizing the need for ethical safeguards and regulatory frameworks to ensure responsible deployment of AI technologies and protect human autonomy.

Recent studies have shown that robustness to adversarial attacks can be transferred across networks. In other words, we can make a weak model more robust with the help of a strong teacher model. We ask if instead of learning from a static teacher, can models "learn together" and "teach each other" to achieve better robustness? In this paper, we study how interactions among models affect robustness via knowledge distillation. We propose mutual adversarial training (MAT), in which multiple models are trained together and share the knowledge of adversarial examples to achieve improved robustness. MAT allows robust models to explore a larger space of adversarial samples, and find more robust feature spaces and decision boundaries. Through extensive experiments on CIFAR-10 and CIFAR-100, we demonstrate that MAT can effectively improve model robustness and outperform state-of-the-art methods under white-box attacks, bringing sim8% accuracy gain to vanilla adversarial training (AT) under PGD-100 attacks. In addition, we show that MAT can also mitigate the robustness trade-off among different perturbation types, bringing as much as 13.1% accuracy gain to AT baselines against the union of l_infty, l_2 and l_1 attacks. These results show the superiority of the proposed method and demonstrate that collaborative learning is an effective strategy for designing robust models.

Two-point zeroth order methods are important in many applications of zeroth-order optimization, such as robotics, wind farms, power systems, online optimization, and adversarial robustness to black-box attacks in deep neural networks, where the problem may be high-dimensional and/or time-varying. Most problems in these applications are nonconvex and contain saddle points. While existing works have shown that zeroth-order methods utilizing Omega(d) function valuations per iteration (with d denoting the problem dimension) can escape saddle points efficiently, it remains an open question if zeroth-order methods based on two-point estimators can escape saddle points. In this paper, we show that by adding an appropriate isotropic perturbation at each iteration, a zeroth-order algorithm based on 2m (for any 1 leq m leq d) function evaluations per iteration can not only find epsilon-second order stationary points polynomially fast, but do so using only Oleft(d{mepsilon^{2}psi}right) function evaluations, where psi geq Omegaleft(epsilonright) is a parameter capturing the extent to which the function of interest exhibits the strict saddle property.

Recent advancements in Optical Character Recognition (OCR) have been driven by transformer-based models. OCR systems are critical in numerous high-stakes domains, yet their vulnerability to adversarial attack remains largely uncharted territory, raising concerns about security and compliance with emerging AI regulations. In this work we present a novel framework to assess the resilience of Transformer-based OCR (TrOCR) models. We develop and assess algorithms for both targeted and untargeted attacks. For the untargeted case, we measure the Character Error Rate (CER), while for the targeted case we use the success ratio. We find that TrOCR is highly vulnerable to untargeted attacks and somewhat less vulnerable to targeted attacks. On a benchmark handwriting data set, untargeted attacks can cause a CER of more than 1 without being noticeable to the eye. With a similar perturbation size, targeted attacks can lead to success rates of around 25% -- here we attacked single tokens, requiring TrOCR to output the tenth most likely token from a large vocabulary.

Early warning signals have been proposed to forecast the possibility of a critical transition, such as the eutrophication of a lake, the collapse of a coral reef, or the end of a glacial period. Because such transitions often unfold on temporal and spatial scales that can be difficult to approach by experimental manipulation, research has often relied on historical observations as a source of natural experiments. Here we examine a critical difference between selecting systems for study based on the fact that we have observed a critical transition and those systems for which we wish to forecast the approach of a transition. This difference arises by conditionally selecting systems known to experience a transition of some sort and failing to account for the bias this introduces -- a statistical error often known as the Prosecutor's Fallacy. By analysing simulated systems that have experienced transitions purely by chance, we reveal an elevated rate of false positives in common warning signal statistics. We further demonstrate a model-based approach that is less subject to this bias than these more commonly used summary statistics. We note that experimental studies with replicates avoid this pitfall entirely.

Many adversarial attacks in NLP perturb inputs to produce visually similar strings ('ergo' rightarrow 'epsilonrgo') which are legible to humans but degrade model performance. Although preserving legibility is a necessary condition for text perturbation, little work has been done to systematically characterize it; instead, legibility is typically loosely enforced via intuitions around the nature and extent of perturbations. Particularly, it is unclear to what extent can inputs be perturbed while preserving legibility, or how to quantify the legibility of a perturbed string. In this work, we address this gap by learning models that predict the legibility of a perturbed string, and rank candidate perturbations based on their legibility. To do so, we collect and release LEGIT, a human-annotated dataset comprising the legibility of visually perturbed text. Using this dataset, we build both text- and vision-based models which achieve up to 0.91 F1 score in predicting whether an input is legible, and an accuracy of 0.86 in predicting which of two given perturbations is more legible. Additionally, we discover that legible perturbations from the LEGIT dataset are more effective at lowering the performance of NLP models than best-known attack strategies, suggesting that current models may be vulnerable to a broad range of perturbations beyond what is captured by existing visual attacks. Data, code, and models are available at https://github.com/dvsth/learning-legibility-2023.

Low-rank approximation techniques have become the de facto standard for fine-tuning Large Language Models (LLMs) due to their reduced computational and memory requirements. This paper investigates the effectiveness of these methods in capturing the shift of fine-tuning datasets from the initial pre-trained data distribution. Our findings reveal that there are cases in which low-rank fine-tuning falls short in learning such shifts. This, in turn, produces non-negligible side effects, especially when fine-tuning is adopted for toxicity mitigation in pre-trained models, or in scenarios where it is important to provide fair models. Through comprehensive empirical evidence on several models, datasets, and tasks, we show that low-rank fine-tuning inadvertently preserves undesirable biases and toxic behaviors. We also show that this extends to sequential decision-making tasks, emphasizing the need for careful evaluation to promote responsible LLMs development.

Recent advancements in Large Language Models (LLMs) have enabled them to approach human-level persuasion capabilities. However, such potential also raises concerns about the safety risks of LLM-driven persuasion, particularly their potential for unethical influence through manipulation, deception, exploitation of vulnerabilities, and many other harmful tactics. In this work, we present a systematic investigation of LLM persuasion safety through two critical aspects: (1) whether LLMs appropriately reject unethical persuasion tasks and avoid unethical strategies during execution, including cases where the initial persuasion goal appears ethically neutral, and (2) how influencing factors like personality traits and external pressures affect their behavior. To this end, we introduce PersuSafety, the first comprehensive framework for the assessment of persuasion safety which consists of three stages, i.e., persuasion scene creation, persuasive conversation simulation, and persuasion safety assessment. PersuSafety covers 6 diverse unethical persuasion topics and 15 common unethical strategies. Through extensive experiments across 8 widely used LLMs, we observe significant safety concerns in most LLMs, including failing to identify harmful persuasion tasks and leveraging various unethical persuasion strategies. Our study calls for more attention to improve safety alignment in progressive and goal-driven conversations such as persuasion.

Text-to-image models like Stable Diffusion have had a profound impact on daily life by enabling the generation of photorealistic images from textual prompts, fostering creativity, and enhancing visual experiences across various applications. However, these models also pose risks. Previous studies have successfully demonstrated that manipulated prompts can elicit text-to-image models to generate unsafe images, e.g., hateful meme variants. Yet, these studies only unleash the harmful power of text-to-image models in a passive manner. In this work, we focus on the proactive generation of unsafe images using targeted benign prompts via poisoning attacks. We propose two poisoning attacks: a basic attack and a utility-preserving attack. We qualitatively and quantitatively evaluate the proposed attacks using four representative hateful memes and multiple query prompts. Experimental results indicate that text-to-image models are vulnerable to the basic attack even with five poisoning samples. However, the poisoning effect can inadvertently spread to non-targeted prompts, leading to undesirable side effects. Root cause analysis identifies conceptual similarity as an important contributing factor to the side effects. To address this, we introduce the utility-preserving attack as a viable mitigation strategy to maintain the attack stealthiness, while ensuring decent attack performance. Our findings underscore the potential risks of adopting text-to-image models in real-world scenarios, calling for future research and safety measures in this space.

Recent studies have revealed the vulnerability of pre-trained language models to adversarial attacks. Existing adversarial defense techniques attempt to reconstruct adversarial examples within feature or text spaces. However, these methods struggle to effectively repair the semantics in adversarial examples, resulting in unsatisfactory performance and limiting their practical utility. To repair the semantics in adversarial examples, we introduce a novel approach named Reactive Perturbation Defocusing (Rapid). Rapid employs an adversarial detector to identify fake labels of adversarial examples and leverage adversarial attackers to repair the semantics in adversarial examples. Our extensive experimental results conducted on four public datasets, convincingly demonstrate the effectiveness of Rapid in various adversarial attack scenarios. To address the problem of defense performance validation in previous works, we provide a demonstration of adversarial detection and repair based on our work, which can be easily evaluated at https://tinyurl.com/22ercuf8.

Adversarial examples derived from deliberately crafted perturbations on visual inputs can easily harm decision process of deep neural networks. To prevent potential threats, various adversarial training-based defense methods have grown rapidly and become a de facto standard approach for robustness. Despite recent competitive achievements, we observe that adversarial vulnerability varies across targets and certain vulnerabilities remain prevalent. Intriguingly, such peculiar phenomenon cannot be relieved even with deeper architectures and advanced defense methods. To address this issue, in this paper, we introduce a causal approach called Adversarial Double Machine Learning (ADML), which allows us to quantify the degree of adversarial vulnerability for network predictions and capture the effect of treatments on outcome of interests. ADML can directly estimate causal parameter of adversarial perturbations per se and mitigate negative effects that can potentially damage robustness, bridging a causal perspective into the adversarial vulnerability. Through extensive experiments on various CNN and Transformer architectures, we corroborate that ADML improves adversarial robustness with large margins and relieve the empirical observation.

Pre-trained large language models (LLMs) require fine-tuning to improve their responsiveness to natural language instructions. Federated learning (FL) offers a way to perform fine-tuning using the abundant data on end devices without compromising data privacy. Most existing federated fine-tuning methods for LLMs rely on parameter-efficient fine-tuning techniques, which may not reach the performance heights possible with full-parameter tuning. However, the communication overhead associated with full-parameter tuning is prohibitively high for both servers and clients. This work introduces FedKSeed, a novel approach that employs zeroth-order optimization (ZOO) with a set of random seeds. It enables federated full-parameter tuning of billion-sized LLMs directly on devices. Our method significantly reduces transmission requirements between the server and clients to just a few scalar gradients and random seeds, amounting to only a few thousand bytes. Building on this, we develop a strategy to assess the significance of ZOO perturbations for FL, allowing for probability-differentiated seed sampling. This prioritizes perturbations that have a greater impact on model accuracy. Experiments across six scenarios with different LLMs, datasets and data partitions demonstrate that our approach outperforms existing federated LLM fine-tuning methods in terms of both communication efficiency and new task generalization.

The objective of personalized medicine is to tailor interventions to an individual patient's unique characteristics. A key technology for this purpose involves medical digital twins, computational models of human biology that can be personalized and dynamically updated to incorporate patient-specific data collected over time. Certain aspects of human biology, such as the immune system, are not easily captured with physics-based models, such as differential equations. Instead, they are often multi-scale, stochastic, and hybrid. This poses a challenge to existing model-based control and optimization approaches that cannot be readily applied to such models. Recent advances in automatic differentiation and neural-network control methods hold promise in addressing complex control problems. However, the application of these approaches to biomedical systems is still in its early stages. This work introduces dynamics-informed neural-network controllers as an alternative approach to control of medical digital twins. As a first use case for this method, the focus is on agent-based models, a versatile and increasingly common modeling platform in biomedicine. The effectiveness of the proposed neural-network control method is illustrated and benchmarked against other methods with two widely-used agent-based model types. The relevance of the method introduced here extends beyond medical digital twins to other complex dynamical systems.

Training-free guided generation is a widely used and powerful technique that allows the end user to exert further control over the generative process of flow/diffusion models. Generally speaking, two families of techniques have emerged for solving this problem for gradient-based guidance: namely, posterior guidance (i.e., guidance via projecting the current sample to the target distribution via the target prediction model) and end-to-end guidance (i.e., guidance by performing backpropagation throughout the entire ODE solve). In this work, we show that these two seemingly separate families can actually be unified by looking at posterior guidance as a greedy strategy of end-to-end guidance. We explore the theoretical connections between these two families and provide an in-depth theoretical of these two techniques relative to the continuous ideal gradients. Motivated by this analysis we then show a method for interpolating between these two families enabling a trade-off between compute and accuracy of the guidance gradients. We then validate this work on several inverse image problems and property-guided molecular generation.

The prevalence of multi-modal content on social media complicates automated moderation strategies. This calls for an enhancement in multi-modal classification and a deeper understanding of understated meanings in images and memes. Although previous efforts have aimed at improving model performance through fine-tuning, few have explored an end-to-end optimization pipeline that accounts for modalities, prompting, labeling, and fine-tuning. In this study, we propose an end-to-end conceptual framework for model optimization in complex tasks. Experiments support the efficacy of this traditional yet novel framework, achieving the highest accuracy and AUROC. Ablation experiments demonstrate that isolated optimizations are not ineffective on their own.

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.

Users like sharing personal photos with others through social media. At the same time, they might want to make automatic identification in such photos difficult or even impossible. Classic obfuscation methods such as blurring are not only unpleasant but also not as effective as one would expect. Recent studies on adversarial image perturbations (AIP) suggest that it is possible to confuse recognition systems effectively without unpleasant artifacts. However, in the presence of counter measures against AIPs, it is unclear how effective AIP would be in particular when the choice of counter measure is unknown. Game theory provides tools for studying the interaction between agents with uncertainties in the strategies. We introduce a general game theoretical framework for the user-recogniser dynamics, and present a case study that involves current state of the art AIP and person recognition techniques. We derive the optimal strategy for the user that assures an upper bound on the recognition rate independent of the recogniser's counter measure. Code is available at https://goo.gl/hgvbNK.

We introduce Self-Monitored Inference-Time INtervention (SMITIN), an approach for controlling an autoregressive generative music transformer using classifier probes. These simple logistic regression probes are trained on the output of each attention head in the transformer using a small dataset of audio examples both exhibiting and missing a specific musical trait (e.g., the presence/absence of drums, or real/synthetic music). We then steer the attention heads in the probe direction, ensuring the generative model output captures the desired musical trait. Additionally, we monitor the probe output to avoid adding an excessive amount of intervention into the autoregressive generation, which could lead to temporally incoherent music. We validate our results objectively and subjectively for both audio continuation and text-to-music applications, demonstrating the ability to add controls to large generative models for which retraining or even fine-tuning is impractical for most musicians. Audio samples of the proposed intervention approach are available on our demo page http://tinyurl.com/smitin .

When trying to gain better visibility into a machine learning model in order to understand and mitigate the associated risks, a potentially valuable source of evidence is: which training examples most contribute to a given behavior? Influence functions aim to answer a counterfactual: how would the model's parameters (and hence its outputs) change if a given sequence were added to the training set? While influence functions have produced insights for small models, they are difficult to scale to large language models (LLMs) due to the difficulty of computing an inverse-Hessian-vector product (IHVP). We use the Eigenvalue-corrected Kronecker-Factored Approximate Curvature (EK-FAC) approximation to scale influence functions up to LLMs with up to 52 billion parameters. In our experiments, EK-FAC achieves similar accuracy to traditional influence function estimators despite the IHVP computation being orders of magnitude faster. We investigate two algorithmic techniques to reduce the cost of computing gradients of candidate training sequences: TF-IDF filtering and query batching. We use influence functions to investigate the generalization patterns of LLMs, including the sparsity of the influence patterns, increasing abstraction with scale, math and programming abilities, cross-lingual generalization, and role-playing behavior. Despite many apparently sophisticated forms of generalization, we identify a surprising limitation: influences decay to near-zero when the order of key phrases is flipped. Overall, influence functions give us a powerful new tool for studying the generalization properties of LLMs.

Artificial intelligence (AI) systems will increasingly be used to cause harm as they grow more capable. In fact, AI systems are already starting to be used to automate fraudulent activities, violate human rights, create harmful fake images, and identify dangerous toxins. To prevent some misuses of AI, we argue that targeted interventions on certain capabilities will be warranted. These restrictions may include controlling who can access certain types of AI models, what they can be used for, whether outputs are filtered or can be traced back to their user, and the resources needed to develop them. We also contend that some restrictions on non-AI capabilities needed to cause harm will be required. Though capability restrictions risk reducing use more than misuse (facing an unfavorable Misuse-Use Tradeoff), we argue that interventions on capabilities are warranted when other interventions are insufficient, the potential harm from misuse is high, and there are targeted ways to intervene on capabilities. We provide a taxonomy of interventions that can reduce AI misuse, focusing on the specific steps required for a misuse to cause harm (the Misuse Chain), and a framework to determine if an intervention is warranted. We apply this reasoning to three examples: predicting novel toxins, creating harmful images, and automating spear phishing campaigns.

Designing effective strategies for controlling epidemic spread by vaccination is an important question in epidemiology, especially in the early stages when vaccines are limited. This is a challenging question when the contact network is very heterogeneous, and strategies based on controlling network properties, such as the degree and spectral radius, have been shown to be effective. Implementation of such strategies requires detailed information on the contact structure, which might be sensitive in many applications. Our focus here is on choosing effective vaccination strategies when the edges are sensitive and differential privacy guarantees are needed. Our main contributions are (varepsilon,delta)-differentially private algorithms for designing vaccination strategies by reducing the maximum degree and spectral radius. Our key technique is a private algorithm for the multi-set multi-cover problem, which we use for controlling network properties. We evaluate privacy-utility tradeoffs of our algorithms on multiple synthetic and real-world networks, and show their effectiveness.

We consider identification of average treatment effects on the treated (ATT) within the difference-in-differences (DiD) framework in the presence of endogenous sample selection. First, we establish that the usual DiD estimand fails to recover meaningful treatment effects, even if selection and treatment assignment are independent. Next, we partially identify the ATT for individuals who are always observed post-treatment regardless of their treatment status, and derive bounds on this parameter under different sets of assumptions about the relationship between sample selection and treatment assignment. Extensions to the repeated cross-section and two-by-two comparisons in the staggered adoption case are explored. Furthermore, we provide identification results for the ATT of three additional empirically relevant latent groups by incorporating outcome mean dominance assumptions which have intuitive appeal in applications. Finally, two empirical illustrations demonstrate the approach's usefulness by revisiting (i) the effect of a job training program on earnings(Calonico & Smith, 2017) and (ii) the effect of a working-from-home policy on employee performance (Bloom, Liang, Roberts, & Ying, 2015).

AI agents have the potential to significantly alter the cybersecurity landscape. To help us understand this change, we introduce the first framework to capture offensive and defensive cyber-capabilities in evolving real-world systems. Instantiating this framework with BountyBench, we set up 25 systems with complex, real-world codebases. To capture the vulnerability lifecycle, we define three task types: Detect (detecting a new vulnerability), Exploit (exploiting a specific vulnerability), and Patch (patching a specific vulnerability). For Detect, we construct a new success indicator, which is general across vulnerability types and provides localized evaluation. We manually set up the environment for each system, including installing packages, setting up server(s), and hydrating database(s). We add 40 bug bounties, which are vulnerabilities with monetary awards from \10 to 30,485, and cover 9 of the OWASP Top 10 Risks. To modulate task difficulty, we devise a new strategy based on information to guide detection, interpolating from identifying a zero day to exploiting a specific vulnerability. We evaluate 5 agents: Claude Code, OpenAI Codex CLI, and custom agents with GPT-4.1, Gemini 2.5 Pro Preview, and Claude 3.7 Sonnet Thinking. Given up to three attempts, the top-performing agents are Claude Code (5% on Detect, mapping to \1,350), Custom Agent with Claude 3.7 Sonnet Thinking (5% on Detect, mapping to 1,025; 67.5% on Exploit), and OpenAI Codex CLI (5% on Detect, mapping to \2,400; 90% on Patch, mapping to 14,422). OpenAI Codex CLI and Claude Code are more capable at defense, achieving higher Patch scores of 90% and 87.5%, compared to Exploit scores of 32.5% and 57.5% respectively; in contrast, the custom agents are relatively balanced between offense and defense, achieving Exploit scores of 40-67.5% and Patch scores of 45-60%.

As large language models (LLMs) have been deployed in various real-world settings, concerns about the harm they may propagate have grown. Various jailbreaking techniques have been developed to expose the vulnerabilities of these models and improve their safety. This work reveals that many state-of-the-art LLMs are vulnerable to malicious requests hidden behind scientific language. Specifically, our experiments with GPT4o, GPT4o-mini, GPT-4, LLama3-405B-Instruct, Llama3-70B-Instruct, Cohere, Gemini models demonstrate that, the models' biases and toxicity substantially increase when prompted with requests that deliberately misinterpret social science and psychological studies as evidence supporting the benefits of stereotypical biases. Alarmingly, these models can also be manipulated to generate fabricated scientific arguments claiming that biases are beneficial, which can be used by ill-intended actors to systematically jailbreak these strong LLMs. Our analysis studies various factors that contribute to the models' vulnerabilities to malicious requests in academic language. Mentioning author names and venues enhances the persuasiveness of models, and the bias scores increase as dialogues progress. Our findings call for a more careful investigation on the use of scientific data for training LLMs.

Causal effects are usually studied in terms of the means of counterfactual distributions, which may be insufficient in many scenarios. Given a class of densities known up to normalizing constants, we propose to model counterfactual distributions by minimizing kernel Stein discrepancies in a doubly robust manner. This enables the estimation of counterfactuals over large classes of distributions while exploiting the desired double robustness. We present a theoretical analysis of the proposed estimator, providing sufficient conditions for consistency and asymptotic normality, as well as an examination of its empirical performance.

Even for known nonlinear dynamical systems, feedback controller synthesis is a difficult problem that often requires leveraging the particular structure of the dynamics to induce a stable closed-loop system. For general nonlinear models, including those fit to data, there may not be enough known structure to reliably synthesize a stabilizing feedback controller. In this paper, we discuss a state-dependent nonlinear tracking controller formulation based on a state-dependent Riccati equation for general nonlinear control-affine systems. This formulation depends on a nonlinear factorization of the system of vector fields defining the control-affine dynamics, which always exists under mild smoothness assumptions. We propose a method for learning this factorization from a finite set of data. On a variety of simulated nonlinear dynamical systems, we empirically demonstrate the efficacy of learned versions of this controller in stable trajectory tracking. Alongside our learning method, we evaluate recent ideas in jointly learning a controller and stabilizability certificate for known dynamical systems; we show experimentally that such methods can be frail in comparison.

Robustness is essential for deep neural networks, especially in security-sensitive applications. To this end, randomized smoothing provides theoretical guarantees for certifying robustness against adversarial perturbations. Recently, diffusion models have been successfully employed for randomized smoothing to purify noise-perturbed samples before making predictions with a standard classifier. While these methods excel at small perturbation radii, they struggle with larger perturbations and incur a significant computational overhead during inference compared to classical methods. To address this, we reformulate the generative modeling task along the diffusion trajectories in pixel space as a discriminative task in the latent space. Specifically, we use instance discrimination to achieve consistent representations along the trajectories by aligning temporally adjacent points. After fine-tuning based on the learned representations, our model enables implicit denoising-then-classification via a single prediction, substantially reducing inference costs. We conduct extensive experiments on various datasets and achieve state-of-the-art performance with minimal computation budget during inference. For example, our method outperforms the certified accuracy of diffusion-based methods on ImageNet across all perturbation radii by 5.3% on average, with up to 11.6% at larger radii, while reducing inference costs by 85times on average. Codes are available at: https://github.com/jiachenlei/rRCM.

To understand and identify the unprecedented risks posed by rapidly advancing artificial intelligence (AI) models, this report presents a comprehensive assessment of their frontier risks. Drawing on the E-T-C analysis (deployment environment, threat source, enabling capability) from the Frontier AI Risk Management Framework (v1.0) (SafeWork-F1-Framework), we identify critical risks in seven areas: cyber offense, biological and chemical risks, persuasion and manipulation, uncontrolled autonomous AI R\&D, strategic deception and scheming, self-replication, and collusion. Guided by the "AI-45^circ Law," we evaluate these risks using "red lines" (intolerable thresholds) and "yellow lines" (early warning indicators) to define risk zones: green (manageable risk for routine deployment and continuous monitoring), yellow (requiring strengthened mitigations and controlled deployment), and red (necessitating suspension of development and/or deployment). Experimental results show that all recent frontier AI models reside in green and yellow zones, without crossing red lines. Specifically, no evaluated models cross the yellow line for cyber offense or uncontrolled AI R\&D risks. For self-replication, and strategic deception and scheming, most models remain in the green zone, except for certain reasoning models in the yellow zone. In persuasion and manipulation, most models are in the yellow zone due to their effective influence on humans. For biological and chemical risks, we are unable to rule out the possibility of most models residing in the yellow zone, although detailed threat modeling and in-depth assessment are required to make further claims. This work reflects our current understanding of AI frontier risks and urges collective action to mitigate these challenges.

Preference optimization methods typically begin training with a well-trained SFT model as a reference model. In RLHF and DPO, a regularization term is used during the preference optimization process to prevent the policy model from deviating too far from the reference model's distribution, thereby avoiding the generation of anomalous responses. When the reference model is already well-aligned with the given data or only requires slight adjustments, this approach can produce a well-aligned model. However, if the reference model is not aligned with the given data and requires significant deviation from its current state, a regularization term may actually hinder the model alignment. In this study, we propose Modulated Intervention Preference Optimization (MIPO) to address this issue. MIPO modulates the degree of intervention from the reference model based on how well the given data is aligned with it. If the data is well-aligned, the intervention is increased to prevent the policy model from diverging significantly from reference model. Conversely, if the alignment is poor, the interference is reduced to facilitate more extensive training. We compare the performance of MIPO and DPO using Mistral-7B and Llama3-8B in Alpaca Eval 2.0 and MT-Bench. The experimental results demonstrate that MIPO consistently outperforms DPO across various evaluation scenarios.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

In this paper, by introducing Generalized Bernstein condition, we propose the first Obig(sqrt{p}{nepsilon}big) high probability excess population risk bound for differentially private algorithms under the assumptions G-Lipschitz, L-smooth, and Polyak-{\L}ojasiewicz condition, based on gradient perturbation method. If we replace the properties G-Lipschitz and L-smooth by alpha-H{\"o}lder smoothness (which can be used in non-smooth setting), the high probability bound comes to Obig(n^{-alpha{1+2alpha}}big) w.r.t n, which cannot achieve Oleft(1/nright) when alphain(0,1]. To solve this problem, we propose a variant of gradient perturbation method, max{1,g-Normalized Gradient Perturbation} (m-NGP). We further show that by normalization, the high probability excess population risk bound under assumptions alpha-H{\"o}lder smooth and Polyak-{\L}ojasiewicz condition can achieve Obig(sqrt{p}{nepsilon}big), which is the first Oleft(1/nright) high probability excess population risk bound w.r.t n for differentially private algorithms under non-smooth conditions. Moreover, we evaluate the performance of the new proposed algorithm m-NGP, the experimental results show that m-NGP improves the performance of the differentially private model over real datasets. It demonstrates that m-NGP improves the utility bound and the accuracy of the DP model on real datasets simultaneously.

The common toxicity and societal bias in contents generated by large language models (LLMs) necessitate strategies to reduce harm. Present solutions often demand white-box access to the model or substantial training, which is impractical for cutting-edge commercial LLMs. Moreover, prevailing prompting methods depend on external tool feedback and fail to simultaneously lessen toxicity and bias. Motivated by social psychology principles, we propose a novel strategy named perspective-taking prompting (\textsc{PeT)} that inspires LLMs to integrate diverse human perspectives and self-regulate their responses. This self-correction mechanism can significantly diminish toxicity (up to 89%) and bias (up to 73%) in LLMs' responses. Rigorous evaluations and ablation studies are conducted on two commercial LLMs (ChatGPT and GLM) and three open-source LLMs, revealing PeT's superiority in producing less harmful responses, outperforming five strong baselines.

The enormous financial success of online advertising platforms is partially due to the precise targeting features they offer. Although researchers and journalists have found many ways that advertisers can target---or exclude---particular groups of users seeing their ads, comparatively little attention has been paid to the implications of the platform's ad delivery process, comprised of the platform's choices about which users see which ads. It has been hypothesized that this process can "skew" ad delivery in ways that the advertisers do not intend, making some users less likely than others to see particular ads based on their demographic characteristics. In this paper, we demonstrate that such skewed delivery occurs on Facebook, due to market and financial optimization effects as well as the platform's own predictions about the "relevance" of ads to different groups of users. We find that both the advertiser's budget and the content of the ad each significantly contribute to the skew of Facebook's ad delivery. Critically, we observe significant skew in delivery along gender and racial lines for "real" ads for employment and housing opportunities despite neutral targeting parameters. Our results demonstrate previously unknown mechanisms that can lead to potentially discriminatory ad delivery, even when advertisers set their targeting parameters to be highly inclusive. This underscores the need for policymakers and platforms to carefully consider the role of the ad delivery optimization run by ad platforms themselves---and not just the targeting choices of advertisers---in preventing discrimination in digital advertising.

We present a new algorithm to optimize distributions defined implicitly by parameterized stochastic diffusions. Doing so allows us to modify the outcome distribution of sampling processes by optimizing over their parameters. We introduce a general framework for first-order optimization of these processes, that performs jointly, in a single loop, optimization and sampling steps. This approach is inspired by recent advances in bilevel optimization and automatic implicit differentiation, leveraging the point of view of sampling as optimization over the space of probability distributions. We provide theoretical guarantees on the performance of our method, as well as experimental results demonstrating its effectiveness in real-world settings.

Teams that have trained large Transformer-based models have reported training instabilities at large scale that did not appear when training with the same hyperparameters at smaller scales. Although the causes of such instabilities are of scientific interest, the amount of resources required to reproduce them has made investigation difficult. In this work, we seek ways to reproduce and study training stability and instability at smaller scales. First, we focus on two sources of training instability described in previous work: the growth of logits in attention layers (Dehghani et al., 2023) and divergence of the output logits from the log probabilities (Chowdhery et al., 2022). By measuring the relationship between learning rate and loss across scales, we show that these instabilities also appear in small models when training at high learning rates, and that mitigations previously employed at large scales are equally effective in this regime. This prompts us to investigate the extent to which other known optimizer and model interventions influence the sensitivity of the final loss to changes in the learning rate. To this end, we study methods such as warm-up, weight decay, and the muParam (Yang et al., 2022), and combine techniques to train small models that achieve similar losses across orders of magnitude of learning rate variation. Finally, to conclude our exploration we study two cases where instabilities can be predicted before they emerge by examining the scaling behavior of model activation and gradient norms.

We study the response of mono-energetic stellar populations with initially isotropic kinematics to impulsive and adiabatic changes to an underlying dark matter potential. Half-light radii expand and velocity dispersions decrease as enclosed dark matter is removed. The details of this expansion and cooling depend on the time scale on which the underlying potential changes. In the adiabatic regime, the product of half-light radius and average velocity dispersion is conserved. We show that the stellar populations maintain centrally isotropic kinematics throughout their adiabatic evolution, and their densities can be approximated by a family of analytical radial profiles. Metallicity gradients within the galaxy flatten as dark matter is slowly removed. In the case of strong impulsive perturbations, stellar populations develop power-law-like density tails with radially biased kinematics. We show that the distribution of stellar binding energies within the dark matter halo substantially widens after an impulsive perturbation, no matter the sign of the perturbation. This allows initially energetically separated stellar populations to mix, to the extent that previously chemo-dynamically distinct populations may masquerade as a single population with large metallicity and energy spread. Finally, we show that in response to an impulsive perturbation, stellar populations that are deeply embedded in cored dark matter halos undergo a series of damped oscillations before reaching a virialised equilibrium state, driven by inefficient phase mixing in the harmonic potentials of cored halos. This slow return to equilibrium adds substantial systematic uncertainty to dynamical masses estimated from Jeans modeling or the virial theorem.

There has been a recent surge of interest in modeling neural networks (NNs) as Gaussian processes. In the limit of a NN of infinite width the NN becomes equivalent to a Gaussian process. Here we demonstrate that for an ensemble of large, finite, fully connected networks with a single hidden layer the distribution of outputs at initialization is well described by a Gaussian perturbed by the fourth Hermite polynomial for weights drawn from a symmetric distribution. We show that the scale of the perturbation is inversely proportional to the number of units in the NN and that higher order terms decay more rapidly, thereby recovering the Edgeworth expansion. We conclude by observing that understanding how this perturbation changes under training would reveal the regimes in which the Gaussian process framework is valid to model NN behavior.

In observational studies, balancing covariates in different treatment groups is essential to estimate treatment effects. One of the most commonly used methods for such purposes is weighting. The performance of this class of methods usually depends on strong regularity conditions for the underlying model, which might not hold in practice. In this paper, we investigate weighting methods from a functional estimation perspective and argue that the weights needed for covariate balancing could differ from those needed for treatment effects estimation under low regularity conditions. Motivated by this observation, we introduce a new framework of weighting that directly targets the treatment effects estimation. Unlike existing methods, the resulting estimator for a treatment effect under this new framework is a simple kernel-based U-statistic after applying a data-driven transformation to the observed covariates. We characterize the theoretical properties of the new estimators of treatment effects under a nonparametric setting and show that they are able to work robustly under low regularity conditions. The new framework is also applied to several numerical examples to demonstrate its practical merits.

To ensure AI safety, instruction-tuned Large Language Models (LLMs) are specifically trained to ensure alignment, which refers to making models behave in accordance with human intentions. While these models have demonstrated commendable results on various safety benchmarks, the vulnerability of their safety alignment has not been extensively studied. This is particularly troubling given the potential harm that LLMs can inflict. Existing attack methods on LLMs often rely on poisoned training data or the injection of malicious prompts. These approaches compromise the stealthiness and generalizability of the attacks, making them susceptible to detection. Additionally, these models often demand substantial computational resources for implementation, making them less practical for real-world applications. Inspired by recent success in modifying model behavior through steering vectors without the need for optimization, and drawing on its effectiveness in red-teaming LLMs, we conducted experiments employing activation steering to target four key aspects of LLMs: truthfulness, toxicity, bias, and harmfulness - across a varied set of attack settings. To establish a universal attack strategy applicable to diverse target alignments without depending on manual analysis, we automatically select the intervention layer based on contrastive layer search. Our experiment results show that activation attacks are highly effective and add little or no overhead to attack efficiency. Additionally, we discuss potential countermeasures against such activation attacks. Our code and data are available at https://github.com/wang2226/Backdoor-Activation-Attack Warning: this paper contains content that can be offensive or upsetting.

Reinforcement learning (RL)-based fine-tuning has emerged as a powerful approach for aligning diffusion models with black-box objectives. Proximal policy optimization (PPO) is the most popular choice of method for policy optimization. While effective in terms of performance, PPO is highly sensitive to hyper-parameters and involves substantial computational overhead. REINFORCE, on the other hand, mitigates some computational complexities such as high memory overhead and sensitive hyper-parameter tuning, but has suboptimal performance due to high-variance and sample inefficiency. While the variance of the REINFORCE can be reduced by sampling multiple actions per input prompt and using a baseline correction term, it still suffers from sample inefficiency. To address these challenges, we systematically analyze the efficiency-effectiveness trade-off between REINFORCE and PPO, and propose leave-one-out PPO (LOOP), a novel RL for diffusion fine-tuning method. LOOP combines variance reduction techniques from REINFORCE, such as sampling multiple actions per input prompt and a baseline correction term, with the robustness and sample efficiency of PPO via clipping and importance sampling. Our results demonstrate that LOOP effectively improves diffusion models on various black-box objectives, and achieves a better balance between computational efficiency and performance.

Large Language Models (LLMs) have revolutionized various domains but remain vulnerable to prompt injection attacks, where malicious inputs manipulate the model into ignoring original instructions and executing designated action. In this paper, we investigate the underlying mechanisms of these attacks by analyzing the attention patterns within LLMs. We introduce the concept of the distraction effect, where specific attention heads, termed important heads, shift focus from the original instruction to the injected instruction. Building on this discovery, we propose Attention Tracker, a training-free detection method that tracks attention patterns on instruction to detect prompt injection attacks without the need for additional LLM inference. Our method generalizes effectively across diverse models, datasets, and attack types, showing an AUROC improvement of up to 10.0% over existing methods, and performs well even on small LLMs. We demonstrate the robustness of our approach through extensive evaluations and provide insights into safeguarding LLM-integrated systems from prompt injection vulnerabilities.

The rapid adoption of large language models (LLMs) in multi-agent systems has highlighted their impressive capabilities in various applications, such as collaborative problem-solving and autonomous negotiation. However, the security implications of these LLM-based multi-agent systems have not been thoroughly investigated, particularly concerning the spread of manipulated knowledge. In this paper, we investigate this critical issue by constructing a detailed threat model and a comprehensive simulation environment that mirrors real-world multi-agent deployments in a trusted platform. Subsequently, we propose a novel two-stage attack method involving Persuasiveness Injection and Manipulated Knowledge Injection to systematically explore the potential for manipulated knowledge (i.e., counterfactual and toxic knowledge) spread without explicit prompt manipulation. Our method leverages the inherent vulnerabilities of LLMs in handling world knowledge, which can be exploited by attackers to unconsciously spread fabricated information. Through extensive experiments, we demonstrate that our attack method can successfully induce LLM-based agents to spread both counterfactual and toxic knowledge without degrading their foundational capabilities during agent communication. Furthermore, we show that these manipulations can persist through popular retrieval-augmented generation frameworks, where several benign agents store and retrieve manipulated chat histories for future interactions. This persistence indicates that even after the interaction has ended, the benign agents may continue to be influenced by manipulated knowledge. Our findings reveal significant security risks in LLM-based multi-agent systems, emphasizing the imperative need for robust defenses against manipulated knowledge spread, such as introducing ``guardian'' agents and advanced fact-checking tools.

Multimodal contrastive learning methods like CLIP train on noisy and uncurated training datasets. This is cheaper than labeling datasets manually, and even improves out-of-distribution robustness. We show that this practice makes backdoor and poisoning attacks a significant threat. By poisoning just 0.01% of a dataset (e.g., just 300 images of the 3 million-example Conceptual Captions dataset), we can cause the model to misclassify test images by overlaying a small patch. Targeted poisoning attacks, whereby the model misclassifies a particular test input with an adversarially-desired label, are even easier requiring control of 0.0001% of the dataset (e.g., just three out of the 3 million images). Our attacks call into question whether training on noisy and uncurated Internet scrapes is desirable.

The ability to cope with out-of-distribution (OOD) corruptions and adversarial attacks is crucial in real-world safety-demanding applications. In this study, we develop a general mechanism to increase neural network robustness based on focus analysis. Recent studies have revealed the phenomenon of Overfocusing, which leads to a performance drop. When the network is primarily influenced by small input regions, it becomes less robust and prone to misclassify under noise and corruptions. However, quantifying overfocusing is still vague and lacks clear definitions. Here, we provide a mathematical definition of focus, overfocusing and underfocusing. The notions are general, but in this study, we specifically investigate the case of 3D point clouds. We observe that corrupted sets result in a biased focus distribution compared to the clean training set. We show that as focus distribution deviates from the one learned in the training phase - classification performance deteriorates. We thus propose a parameter-free refocusing algorithm that aims to unify all corruptions under the same distribution. We validate our findings on a 3D zero-shot classification task, achieving SOTA in robust 3D classification on ModelNet-C dataset, and in adversarial defense against Shape-Invariant attack. Code is available in: https://github.com/yossilevii100/refocusing.

The premise of identifiable and causal representation learning is to improve the current representation learning paradigm in terms of generalizability or robustness. Despite recent progress in questions of identifiability, more theoretical results demonstrating concrete advantages of these methods for downstream tasks are needed. In this paper, we consider the task of intervention extrapolation: predicting how interventions affect an outcome, even when those interventions are not observed at training time, and show that identifiable representations can provide an effective solution to this task even if the interventions affect the outcome non-linearly. Our setup includes an outcome Y, observed features X, which are generated as a non-linear transformation of latent features Z, and exogenous action variables A, which influence Z. The objective of intervention extrapolation is to predict how interventions on A that lie outside the training support of A affect Y. Here, extrapolation becomes possible if the effect of A on Z is linear and the residual when regressing Z on A has full support. As Z is latent, we combine the task of intervention extrapolation with identifiable representation learning, which we call Rep4Ex: we aim to map the observed features X into a subspace that allows for non-linear extrapolation in A. We show that the hidden representation is identifiable up to an affine transformation in Z-space, which is sufficient for intervention extrapolation. The identifiability is characterized by a novel constraint describing the linearity assumption of A on Z. Based on this insight, we propose a method that enforces the linear invariance constraint and can be combined with any type of autoencoder. We validate our theoretical findings through synthetic experiments and show that our approach succeeds in predicting the effects of unseen interventions.

Mental manipulation severely undermines mental wellness by covertly and negatively distorting decision-making. While there is an increasing interest in mental health care within the natural language processing community, progress in tackling manipulation remains limited due to the complexity of detecting subtle, covert tactics in conversations. In this paper, we propose Intent-Aware Prompting (IAP), a novel approach for detecting mental manipulations using large language models (LLMs), providing a deeper understanding of manipulative tactics by capturing the underlying intents of participants. Experimental results on the MentalManip dataset demonstrate superior effectiveness of IAP against other advanced prompting strategies. Notably, our approach substantially reduces false negatives, helping detect more instances of mental manipulation with minimal misjudgment of positive cases. The code of this paper is available at https://github.com/Anton-Jiayuan-MA/Manip-IAP.

Reinforcement learning (RL) has advanced greatly in the past few years with the employment of effective deep neural networks (DNNs) on the policy networks. With the great effectiveness came serious vulnerability issues with DNNs that small adversarial perturbations on the input can change the output of the network. Several works have pointed out that learned agents with a DNN policy network can be manipulated against achieving the original task through a sequence of small perturbations on the input states. In this paper, we demonstrate furthermore that it is also possible to impose an arbitrary adversarial reward on the victim policy network through a sequence of attacks. Our method involves the latest adversarial attack technique, Adversarial Transformer Network (ATN), that learns to generate the attack and is easy to integrate into the policy network. As a result of our attack, the victim agent is misguided to optimise for the adversarial reward over time. Our results expose serious security threats for RL applications in safety-critical systems including drones, medical analysis, and self-driving cars.

The pervasive influence of misinformation has far-reaching and detrimental effects on both individuals and society. The COVID-19 pandemic has witnessed an alarming surge in the dissemination of medical misinformation. However, existing datasets pertaining to misinformation predominantly focus on textual information, neglecting the inclusion of visual elements, and tend to center solely on COVID-19-related misinformation, overlooking misinformation surrounding other diseases. Furthermore, the potential of Large Language Models (LLMs), such as the ChatGPT developed in late 2022, in generating misinformation has been overlooked in previous works. To overcome these limitations, we present Med-MMHL, a novel multi-modal misinformation detection dataset in a general medical domain encompassing multiple diseases. Med-MMHL not only incorporates human-generated misinformation but also includes misinformation generated by LLMs like ChatGPT. Our dataset aims to facilitate comprehensive research and development of methodologies for detecting misinformation across diverse diseases and various scenarios, including human and LLM-generated misinformation detection at the sentence, document, and multi-modal levels. To access our dataset and code, visit our GitHub repository: https://github.com/styxsys0927/Med-MMHL.

Unobserved confounding is common in many applications, making causal inference from observational data challenging. As a remedy, causal sensitivity analysis is an important tool to draw causal conclusions under unobserved confounding with mathematical guarantees. In this paper, we propose NeuralCSA, a neural framework for generalized causal sensitivity analysis. Unlike previous work, our framework is compatible with (i) a large class of sensitivity models, including the marginal sensitivity model, f-sensitivity models, and Rosenbaum's sensitivity model; (ii) different treatment types (i.e., binary and continuous); and (iii) different causal queries, including (conditional) average treatment effects and simultaneous effects on multiple outcomes. The generality of \frameworkname is achieved by learning a latent distribution shift that corresponds to a treatment intervention using two conditional normalizing flows. We provide theoretical guarantees that NeuralCSA is able to infer valid bounds on the causal query of interest and also demonstrate this empirically using both simulated and real-world data.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

One method for obtaining generalizable solutions to machine learning tasks when presented with diverse training environments is to find invariant representations of the data. These are representations of the covariates such that the best model on top of the representation is invariant across training environments. In the context of linear Structural Equation Models (SEMs), invariant representations might allow us to learn models with out-of-distribution guarantees, i.e., models that are robust to interventions in the SEM. To address the invariant representation problem in a {\em finite sample} setting, we consider the notion of epsilon-approximate invariance. We study the following question: If a representation is approximately invariant with respect to a given number of training interventions, will it continue to be approximately invariant on a larger collection of unseen SEMs? This larger collection of SEMs is generated through a parameterized family of interventions. Inspired by PAC learning, we obtain finite-sample out-of-distribution generalization guarantees for approximate invariance that holds probabilistically over a family of linear SEMs without faithfulness assumptions. Our results show bounds that do not scale in ambient dimension when intervention sites are restricted to lie in a constant size subset of in-degree bounded nodes. We also show how to extend our results to a linear indirect observation model that incorporates latent variables.

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.

Some classical uncertainty quantification problems require the estimation of multiple expectations. Estimating all of them accurately is crucial and can have a major impact on the analysis to perform, and standard existing Monte Carlo methods can be costly to do so. We propose here a new procedure based on importance sampling and control variates for estimating more efficiently multiple expectations with the same sample. We first show that there exists a family of optimal estimators combining both importance sampling and control variates, which however cannot be used in practice because they require the knowledge of the values of the expectations to estimate. Motivated by the form of these optimal estimators and some interesting properties, we therefore propose an adaptive algorithm. The general idea is to adaptively update the parameters of the estimators for approaching the optimal ones. We suggest then a quantitative stopping criterion that exploits the trade-off between approaching these optimal parameters and having a sufficient budget left. This left budget is then used to draw a new independent sample from the final sampling distribution, allowing to get unbiased estimators of the expectations. We show how to apply our procedure to sensitivity analysis, by estimating Sobol' indices and quantifying the impact of the input distributions. Finally, realistic test cases show the practical interest of the proposed algorithm, and its significant improvement over estimating the expectations separately.

In this paper, we propose feedback designs for manipulating a quantum state to a target state by performing sequential measurements. In light of Belavkin's quantum feedback control theory, for a given set of (projective or non-projective) measurements and a given time horizon, we show that finding the measurement selection policy that maximizes the probability of successful state manipulation is an optimal control problem for a controlled Markovian process. The optimal policy is Markovian and can be solved by dynamical programming. Numerical examples indicate that making use of feedback information significantly improves the success probability compared to classical scheme without taking feedback. We also consider other objective functionals including maximizing the expected fidelity to the target state as well as minimizing the expected arrival time. The connections and differences among these objectives are also discussed.

Recent model editing techniques promise to mitigate the problem of memorizing false or outdated associations during LLM training. However, we show that these techniques can introduce large unwanted side effects which are not detected by existing specificity benchmarks. We extend the existing CounterFact benchmark to include a dynamic component and dub our benchmark CounterFact+. Additionally, we extend the metrics used for measuring specificity by a principled KL divergence-based metric. We use this improved benchmark to evaluate recent model editing techniques and find that they suffer from low specificity. Our findings highlight the need for improved specificity benchmarks that identify and prevent unwanted side effects.

Large Language Models (LLMs) have demonstrated exceptional proficiency in instruction-following, becoming increasingly crucial across various applications. However, this capability brings with it the risk of prompt injection attacks, where attackers inject instructions into LLMs' input to elicit undesirable actions or content. Understanding the robustness of LLMs against such attacks is vital for their safe implementation. In this work, we establish a benchmark to evaluate the robustness of instruction-following LLMs against prompt injection attacks. Our objective is to determine the extent to which LLMs can be influenced by injected instructions and their ability to differentiate between these injected and original target instructions. Through extensive experiments with leading instruction-following LLMs, we uncover significant vulnerabilities in their robustness to such attacks. Our results indicate that some models are overly tuned to follow any embedded instructions in the prompt, overly focusing on the latter parts of the prompt without fully grasping the entire context. By contrast, models with a better grasp of the context and instruction-following capabilities will potentially be more susceptible to compromise by injected instructions. This underscores the need to shift the focus from merely enhancing LLMs' instruction-following capabilities to improving their overall comprehension of prompts and discernment of instructions that are appropriate to follow. We hope our in-depth analysis offers insights into the underlying causes of these vulnerabilities, aiding in the development of future solutions. Code and data are available at https://github.com/Leezekun/instruction-following-robustness-eval

The search for heavy resonances beyond the Standard Model (BSM) is a key objective at the LHC. While the recent use of advanced deep neural networks for boosted-jet tagging significantly enhances the sensitivity of dedicated searches, it is limited to specific final states, leaving vast potential BSM phase space underexplored. We introduce a novel experimental method, Signature-Oriented Pre-training for Heavy-resonance ObservatioN (Sophon), which leverages deep learning to cover an extensive number of boosted final states. Pre-trained on the comprehensive JetClass-II dataset, the Sophon model learns intricate jet signatures, ensuring the optimal constructions of various jet tagging discriminates and enabling high-performance transfer learning capabilities. We show that the method can not only push widespread model-specific searches to their sensitivity frontier, but also greatly improve model-agnostic approaches, accelerating LHC resonance searches in a broad sense.

Neural surrogates for partial differential equations (PDEs) have become popular due to their potential to quickly simulate physics. With a few exceptions, neural surrogates generally treat the forward evolution of time-dependent PDEs as a black box by directly predicting the next state. While this is a natural and easy framework for applying neural surrogates, it can be an over-simplified and rigid framework for predicting physics. In this work, we propose an alternative framework in which neural solvers predict the temporal derivative and an ODE integrator forwards the solution in time, which has little overhead and is broadly applicable across model architectures and PDEs. We find that by simply changing the training target and introducing numerical integration during inference, neural surrogates can gain accuracy and stability. Predicting temporal derivatives also allows models to not be constrained to a specific temporal discretization, allowing for flexible time-stepping during inference or training on higher-resolution PDE data. Lastly, we investigate why this new framework can be beneficial and in what situations does it work well.

In value-based reinforcement learning methods such as deep Q-learning, function approximation errors are known to lead to overestimated value estimates and suboptimal policies. We show that this problem persists in an actor-critic setting and propose novel mechanisms to minimize its effects on both the actor and the critic. Our algorithm builds on Double Q-learning, by taking the minimum value between a pair of critics to limit overestimation. We draw the connection between target networks and overestimation bias, and suggest delaying policy updates to reduce per-update error and further improve performance. We evaluate our method on the suite of OpenAI gym tasks, outperforming the state of the art in every environment tested.

Inferring causal structures from experimentation is a central task in many domains. For example, in biology, recent advances allow us to obtain single-cell expression data under multiple interventions such as drugs or gene knockouts. However, the targets of the interventions are often uncertain or unknown and the number of observations limited. As a result, standard causal discovery methods can no longer be reliably used. To fill this gap, we propose a Bayesian framework (BaCaDI) for discovering and reasoning about the causal structure that underlies data generated under various unknown experimental or interventional conditions. BaCaDI is fully differentiable, which allows us to infer the complex joint posterior over the intervention targets and the causal structure via efficient gradient-based variational inference. In experiments on synthetic causal discovery tasks and simulated gene-expression data, BaCaDI outperforms related methods in identifying causal structures and intervention targets.

We consider the task of evaluating policies of algorithmic resource allocation through randomized controlled trials (RCTs). Such policies are tasked with optimizing the utilization of limited intervention resources, with the goal of maximizing the benefits derived. Evaluation of such allocation policies through RCTs proves difficult, notwithstanding the scale of the trial, because the individuals' outcomes are inextricably interlinked through resource constraints controlling the policy decisions. Our key contribution is to present a new estimator leveraging our proposed novel concept, that involves retrospective reshuffling of participants across experimental arms at the end of an RCT. We identify conditions under which such reassignments are permissible and can be leveraged to construct counterfactual trials, whose outcomes can be accurately ascertained, for free. We prove theoretically that such an estimator is more accurate than common estimators based on sample means -- we show that it returns an unbiased estimate and simultaneously reduces variance. We demonstrate the value of our approach through empirical experiments on synthetic, semi-synthetic as well as real case study data and show improved estimation accuracy across the board.