Daily Papers

As large language models evolve, there is growing anticipation that they will emulate human-like Theory of Mind (ToM) to assist with routine tasks. However, existing methods for evaluating machine ToM focus primarily on unimodal models and largely treat these models as black boxes, lacking an interpretative exploration of their internal mechanisms. In response, this study adopts an approach based on internal mechanisms to provide an interpretability-driven assessment of ToM in multimodal large language models (MLLMs). Specifically, we first construct a multimodal ToM test dataset, GridToM, which incorporates diverse belief testing tasks and perceptual information from multiple perspectives. Next, our analysis shows that attention heads in multimodal large models can distinguish cognitive information across perspectives, providing evidence of ToM capabilities. Furthermore, we present a lightweight, training-free approach that significantly enhances the model's exhibited ToM by adjusting in the direction of the attention head.

As machine learning algorithms are increasingly applied to high impact yet high risk tasks, such as medical diagnosis or autonomous driving, it is critical that researchers can explain how such algorithms arrived at their predictions. In recent years, a number of image saliency methods have been developed to summarize where highly complex neural networks "look" in an image for evidence for their predictions. However, these techniques are limited by their heuristic nature and architectural constraints. In this paper, we make two main contributions: First, we propose a general framework for learning different kinds of explanations for any black box algorithm. Second, we specialise the framework to find the part of an image most responsible for a classifier decision. Unlike previous works, our method is model-agnostic and testable because it is grounded in explicit and interpretable image perturbations.

Implicit layer deep learning techniques, like Neural Differential Equations, have become an important modeling framework due to their ability to adapt to new problems automatically. Training a neural differential equation is effectively a search over a space of plausible dynamical systems. However, controlling the computational cost for these models is difficult since it relies on the number of steps the adaptive solver takes. Most prior works have used higher-order methods to reduce prediction timings while greatly increasing training time or reducing both training and prediction timings by relying on specific training algorithms, which are harder to use as a drop-in replacement due to strict requirements on automatic differentiation. In this manuscript, we use internal cost heuristics of adaptive differential equation solvers at stochastic time points to guide the training toward learning a dynamical system that is easier to integrate. We "close the black-box" and allow the use of our method with any adjoint technique for gradient calculations of the differential equation solution. We perform experimental studies to compare our method to global regularization to show that we attain similar performance numbers without compromising the flexibility of implementation on ordinary differential equations (ODEs) and stochastic differential equations (SDEs). We develop two sampling strategies to trade off between performance and training time. Our method reduces the number of function evaluations to 0.556-0.733x and accelerates predictions by 1.3-2x.

Training or finetuning large-scale language models (LLMs) requires substantial computation resources, motivating recent efforts to explore parameter-efficient adaptation to downstream tasks. One approach is to treat these models as black boxes and use forward passes (Inference APIs) to interact with them. Current research focuses on adapting these black-box models to downstream tasks using gradient-free prompt optimization, but this often involves an expensive process of searching task-specific prompts. Therefore, we are motivated to study black-box language model adaptation without prompt search. Specifically, we introduce a label-enhanced cross-attention network called CrossTune, which models the semantic relatedness between the input text sequence and task-specific label descriptions. Its effectiveness is examined in the context of few-shot text classification. To improve the generalization of CrossTune, we utilize ChatGPT to generate additional training data through in-context learning. A switch mechanism is implemented to exclude low-quality ChatGPT-generated data. Through extensive experiments on seven benchmark text classification datasets, we demonstrate that our proposed approach outperforms the previous state-of-the-art gradient-free black-box tuning method by 5.7% on average. Even without using ChatGPT-augmented data, CrossTune performs better or comparably than previous black-box tuning methods, suggesting the effectiveness of our approach.

Many deployed learned models are black boxes: given input, returns output. Internal information about the model, such as the architecture, optimisation procedure, or training data, is not disclosed explicitly as it might contain proprietary information or make the system more vulnerable. This work shows that such attributes of neural networks can be exposed from a sequence of queries. This has multiple implications. On the one hand, our work exposes the vulnerability of black-box neural networks to different types of attacks -- we show that the revealed internal information helps generate more effective adversarial examples against the black box model. On the other hand, this technique can be used for better protection of private content from automatic recognition models using adversarial examples. Our paper suggests that it is actually hard to draw a line between white box and black box models.

In the last years many accurate decision support systems have been constructed as black boxes, that is as systems that hide their internal logic to the user. This lack of explanation constitutes both a practical and an ethical issue. The literature reports many approaches aimed at overcoming this crucial weakness sometimes at the cost of scarifying accuracy for interpretability. The applications in which black box decision systems can be used are various, and each approach is typically developed to provide a solution for a specific problem and, as a consequence, delineating explicitly or implicitly its own definition of interpretability and explanation. The aim of this paper is to provide a classification of the main problems addressed in the literature with respect to the notion of explanation and the type of black box system. Given a problem definition, a black box type, and a desired explanation this survey should help the researcher to find the proposals more useful for his own work. The proposed classification of approaches to open black box models should also be useful for putting the many research open questions in perspective.

Current advancements in reinforcement learning (RL) have predominantly focused on learning step-based policies that generate actions for each perceived state. While these methods efficiently leverage step information from environmental interaction, they often ignore the temporal correlation between actions, resulting in inefficient exploration and unsmooth trajectories that are challenging to implement on real hardware. Episodic RL (ERL) seeks to overcome these challenges by exploring in parameters space that capture the correlation of actions. However, these approaches typically compromise data efficiency, as they treat trajectories as opaque black boxes. In this work, we introduce a novel ERL algorithm, Temporally-Correlated Episodic RL (TCE), which effectively utilizes step information in episodic policy updates, opening the 'black box' in existing ERL methods while retaining the smooth and consistent exploration in parameter space. TCE synergistically combines the advantages of step-based and episodic RL, achieving comparable performance to recent ERL methods while maintaining data efficiency akin to state-of-the-art (SoTA) step-based RL.

Methods for adapting language models (LMs) to new tasks and domains have traditionally assumed white-box access to the model, and work by modifying its parameters. However, this is incompatible with a recent trend in the field, where the highest quality models are only available as black-boxes through inference APIs. Even when the model weights are available, the computational cost of fine-tuning large LMs can be prohibitive for most practitioners. In this work, we present a lightweight method for adapting large LMs to new domains and tasks, assuming no access to their weights or intermediate activations. Our approach fine-tunes a small white-box LM and combines it with the large black-box LM at the probability level through a small network, learned on a small validation set. We validate our approach by adapting a large LM (OPT-30B) to several domains and a downstream task (machine translation), observing improved performance in all cases, of up to 9%, while using a domain expert 23x smaller.

The advances in Vision-Language models (VLMs) offer exciting opportunities for robotic applications involving image geo-localization, the problem of identifying the geo-coordinates of a place based on visual data only. Recent research works have focused on using a VLM as embeddings extractor for geo-localization, however, the most sophisticated VLMs may only be available as black boxes that are accessible through an API, and come with a number of limitations: there is no access to training data, model features and gradients; retraining is not possible; the number of predictions may be limited by the API; training on model outputs is often prohibited; and queries are open-ended. The utilization of a VLM as a stand-alone, zero-shot geo-localization system using a single text-based prompt is largely unexplored. To bridge this gap, this paper undertakes the first systematic study, to the best of our knowledge, to investigate the potential of some of the state-of-the-art VLMs as stand-alone, zero-shot geo-localization systems in a black-box setting with realistic constraints. We consider three main scenarios for this thorough investigation: a) fixed text-based prompt; b) semantically-equivalent text-based prompts; and c) semantically-equivalent query images. We also take into account the auto-regressive and probabilistic generation process of the VLMs when investigating their utility for geo-localization task by using model consistency as a metric in addition to traditional accuracy. Our work provides new insights in the capabilities of different VLMs for the above-mentioned scenarios.

Existing tasks fall short in evaluating reasoning ability of Large Language Models (LLMs) in an interactive, unknown environment. This deficiency leads to the isolated assessment of deductive, inductive, and abductive reasoning, neglecting the integrated reasoning process that is indispensable for humans discovery of real world. We introduce a novel evaluation paradigm, black-box interaction, to tackle this challenge. A black-box is defined by a hidden function that maps a specific set of inputs to outputs. LLMs are required to unravel the hidden function behind the black-box by interacting with it in given exploration turns, and reasoning over observed input-output pairs. Leveraging this idea, we build the Oracle benchmark which comprises 6 types of black-box task and 96 black-boxes. 19 modern LLMs are benchmarked. o3 ranks first in 5 of the 6 tasks, achieving over 70\% accuracy on most easy black-boxes. But it still struggles with some hard black-box tasks, where its average performance drops below 40\%. Further analysis indicates a universal difficulty among LLMs: They lack the high-level planning capability to develop efficient and adaptive exploration strategies for hypothesis refinement.

Large language models (LLMs) have attracted huge interest in practical applications given their increasingly accurate responses and coherent reasoning abilities. Given their nature as black-boxes using complex reasoning processes on their inputs, it is inevitable that the demand for scalable and faithful explanations for LLMs' generated content will continue to grow. There have been major developments in the explainability of neural network models over the past decade. Among them, post-hoc explainability methods, especially Shapley values, have proven effective for interpreting deep learning models. However, there are major challenges in scaling up Shapley values for LLMs, particularly when dealing with long input contexts containing thousands of tokens and autoregressively generated output sequences. Furthermore, it is often unclear how to effectively utilize generated explanations to improve the performance of LLMs. In this paper, we introduce TextGenSHAP, an efficient post-hoc explanation method incorporating LM-specific techniques. We demonstrate that this leads to significant increases in speed compared to conventional Shapley value computations, reducing processing times from hours to minutes for token-level explanations, and to just seconds for document-level explanations. In addition, we demonstrate how real-time Shapley values can be utilized in two important scenarios, providing better understanding of long-document question answering by localizing important words and sentences; and improving existing document retrieval systems through enhancing the accuracy of selected passages and ultimately the final responses.

Nonlinear methods such as Deep Neural Networks (DNNs) are the gold standard for various challenging machine learning problems, e.g., image classification, natural language processing or human action recognition. Although these methods perform impressively well, they have a significant disadvantage, the lack of transparency, limiting the interpretability of the solution and thus the scope of application in practice. Especially DNNs act as black boxes due to their multilayer nonlinear structure. In this paper we introduce a novel methodology for interpreting generic multilayer neural networks by decomposing the network classification decision into contributions of its input elements. Although our focus is on image classification, the method is applicable to a broad set of input data, learning tasks and network architectures. Our method is based on deep Taylor decomposition and efficiently utilizes the structure of the network by backpropagating the explanations from the output to the input layer. We evaluate the proposed method empirically on the MNIST and ILSVRC data sets.

Currently, utilizing large language models to understand the 3D world is becoming popular. Yet existing 3D-aware LLMs act as black boxes: they output bounding boxes or textual answers without revealing how those decisions are made, and they still rely on pre-trained 3D detectors to supply object proposals. We introduce Scene-R1, a video-grounded framework that learns to reason about 3D scenes without any point-wise 3D instance supervision by pairing reinforcement-learning-driven reasoning with a two-stage grounding pipeline. In the temporal grounding stage, we explicitly reason about the video and select the video snippets most relevant to an open-ended query. In the subsequent image grounding stage, we analyze the image and predict the 2D bounding box. After that, we track the object using SAM2 to produce pixel-accurate masks in RGB frames, and project them back into 3D, thereby eliminating the need for 3D detector-based proposals while capturing fine geometry and material cues. Scene-R1 can also adapt to the 3D visual question answering task to answer free-form questions directly from video. Our training pipeline only needs task-level 2D boxes or textual labels without dense 3D point-wise labels. Scene-R1 surpasses existing open-vocabulary baselines on multiple datasets, while delivering transparent, step-by-step rationales. These results show that reinforcement-learning-based reasoning combined with RGB-D video alone offers a practical, annotation-efficient route to trustworthy 3D scene understanding.

Recent advancements in visual language models (VLMs) have notably enhanced their capabilities in handling complex Graphical User Interface (GUI) interaction tasks. Despite these improvements, current frameworks often struggle to generate correct actions in challenging GUI environments. State-of-the-art commercial VLMs are black-boxes, and fine-tuning open-source VLMs for GUI tasks requires significant resources. Additionally, existing trajectory-level evaluation and refinement techniques frequently fall short due to delayed feedback and local optimization issues. To address these challenges, we propose an approach that guides VLM agents with process supervision by a reward model during GUI navigation and control at inference time. This guidance allows the VLM agent to optimize actions at each inference step, thereby improving performance in both static and dynamic environments. In particular, our method demonstrates significant performance gains in three GUI navigation tasks, achieving a 3.4% improvement in single step action accuracy for static environments, along with a around 33% increase in task success rate in one dynamic environment. With further integration of trajectory reflection and retry mechanisms, we also demonstrate even greater enhancement in task success.

This paper presents the latest progress of GPTutor: a ChatGPT-powered programming tool extension in Visual Studio Code. The emergence of Large Language Models (LLMs) has improved software development efficiency, but their performance can be hindered by training data limitations and prompt design issues. Existing LLM development tools often operate as black boxes, with users unable to view the prompts used and unable to improve performance by correcting prompts when errors occur. To address the aforementioned issues, GPTutor was introduced as an open-source AI pair programming tool, offering an alternative to Copilot. GPTutor empowers users to customize prompts for various programming languages and scenarios, with support for 120+ human languages and 50+ programming languages. Users can fine-tune prompts to correct the errors from LLM for precision and efficient code generation. At the end of the paper, we underscore GPTutor's potential through examples, including demonstrating its proficiency in interpreting and generating Sui-Move, a newly introduced smart contract language, using prompt engineering.

Transformers exhibit impressive capabilities but are often regarded as black boxes due to challenges in understanding the complex nonlinear relationships between features. Interpreting machine learning models is of paramount importance to mitigate risks, and mechanistic interpretability is in particular of current interest as it opens up a window for guiding manual modifications and reverse-engineering solutions. In this work, we introduce contextual decomposition for transformers (CD-T), extending a prior work on CD for RNNs and CNNs, to address mechanistic interpretation computationally efficiently. CD-T is a flexible interpretation method for transformers. It can capture contributions of combinations of input features or source internal components (e.g. attention heads, feed-forward networks) to (1) final predictions or (2) the output of any target internal component. Using CD-T, we propose a novel algorithm for circuit discovery. On a real-world pathology report classification task: we show CD-T distills a more faithful circuit of attention heads with improved computational efficiency (speed up 2x) than a prior benchmark, path patching. As a versatile interpretation method, CD-T also exhibits exceptional capabilities for local interpretations. CD-T is shown to reliably find words and phrases of contrasting sentiment/topic on SST-2 and AGNews datasets. Through human experiments, we demonstrate CD-T enables users to identify the more accurate of two models and to better trust a model's outputs compared to alternative interpretation methods such as SHAP and LIME.

Large language models (LLMs) rely on safety alignment to avoid responding to malicious user inputs. Unfortunately, jailbreak can circumvent safety guardrails, resulting in LLMs generating harmful content and raising concerns about LLM safety. Due to language models with intensive parameters often regarded as black boxes, the mechanisms of alignment and jailbreak are challenging to elucidate. In this paper, we employ weak classifiers to explain LLM safety through the intermediate hidden states. We first confirm that LLMs learn ethical concepts during pre-training rather than alignment and can identify malicious and normal inputs in the early layers. Alignment actually associates the early concepts with emotion guesses in the middle layers and then refines them to the specific reject tokens for safe generations. Jailbreak disturbs the transformation of early unethical classification into negative emotions. We conduct experiments on models from 7B to 70B across various model families to prove our conclusion. Overall, our paper indicates the intrinsical mechanism of LLM safety and how jailbreaks circumvent safety guardrails, offering a new perspective on LLM safety and reducing concerns. Our code is available at https://github.com/ydyjya/LLM-IHS-Explanation.

Conventional Time Series Classification (TSC) methods are often black boxes that obscure inherent interpretation of their decision-making processes. In this work, we leverage Multiple Instance Learning (MIL) to overcome this issue, and propose a new framework called MILLET: Multiple Instance Learning for Locally Explainable Time series classification. We apply MILLET to existing deep learning TSC models and show how they become inherently interpretable without compromising (and in some cases, even improving) predictive performance. We evaluate MILLET on 85 UCR TSC datasets and also present a novel synthetic dataset that is specially designed to facilitate interpretability evaluation. On these datasets, we show MILLET produces sparse explanations quickly that are of higher quality than other well-known interpretability methods. To the best of our knowledge, our work with MILLET, which is available on GitHub (https://github.com/JAEarly/MILTimeSeriesClassification), is the first to develop general MIL methods for TSC and apply them to an extensive variety of domains

AI alignment refers to models acting towards human-intended goals, preferences, or ethical principles. Given that most large-scale deep learning models act as black boxes and cannot be manually controlled, analyzing the similarity between models and humans can be a proxy measure for ensuring AI safety. In this paper, we focus on the models' visual perception alignment with humans, further referred to as AI-human visual alignment. Specifically, we propose a new dataset for measuring AI-human visual alignment in terms of image classification, a fundamental task in machine perception. In order to evaluate AI-human visual alignment, a dataset should encompass samples with various scenarios that may arise in the real world and have gold human perception labels. Our dataset consists of three groups of samples, namely Must-Act (i.e., Must-Classify), Must-Abstain, and Uncertain, based on the quantity and clarity of visual information in an image and further divided into eight categories. All samples have a gold human perception label; even Uncertain (severely blurry) sample labels were obtained via crowd-sourcing. The validity of our dataset is verified by sampling theory, statistical theories related to survey design, and experts in the related fields. Using our dataset, we analyze the visual alignment and reliability of five popular visual perception models and seven abstention methods. Our code and data is available at https://github.com/jiyounglee-0523/VisAlign.

With the rise of the Internet, there is a growing need to build intelligent systems that are capable of efficiently dealing with early risk detection (ERD) problems on social media, such as early depression detection, early rumor detection or identification of sexual predators. These systems, nowadays mostly based on machine learning techniques, must be able to deal with data streams since users provide their data over time. In addition, these systems must be able to decide when the processed data is sufficient to actually classify users. Moreover, since ERD tasks involve risky decisions by which people's lives could be affected, such systems must also be able to justify their decisions. However, most standard and state-of-the-art supervised machine learning models are not well suited to deal with this scenario. This is due to the fact that they either act as black boxes or do not support incremental classification/learning. In this paper we introduce SS3, a novel supervised learning model for text classification that naturally supports these aspects. SS3 was designed to be used as a general framework to deal with ERD problems. We evaluated our model on the CLEF's eRisk2017 pilot task on early depression detection. Most of the 30 contributions submitted to this competition used state-of-the-art methods. Experimental results show that our classifier was able to outperform these models and standard classifiers, despite being less computationally expensive and having the ability to explain its rationale.

Large Language Models (LLMs), although powerful in general domains, often perform poorly on domain-specific tasks like medical question answering (QA). Moreover, they tend to function as "black-boxes," making it challenging to modify their behavior. Addressing this, our study delves into model editing utilizing in-context learning, aiming to improve LLM responses without the need for fine-tuning or retraining. Specifically, we propose a comprehensive retrieval strategy to extract medical facts from an external knowledge base, and then we incorporate them into the query prompt for the LLM. Focusing on medical QA using the MedQA-SMILE dataset, we evaluate the impact of different retrieval models and the number of facts provided to the LLM. Notably, our edited Vicuna model exhibited an accuracy improvement from 44.46% to 48.54%. This work underscores the potential of model editing to enhance LLM performance, offering a practical approach to mitigate the challenges of black-box LLMs.

In recent years, deep learning models have been extensively applied to biological data across various modalities. Discriminative deep learning models have excelled at classifying images into categories (e.g., healthy versus diseased, treated versus untreated). However, these models are often perceived as black boxes due to their complexity and lack of interpretability, limiting their application in real-world biological contexts. In biological research, explainability is essential: understanding classifier decisions and identifying subtle differences between conditions are critical for elucidating the effects of treatments, disease progression, and biological processes. To address this challenge, we propose DiffEx, a method for generating visually interpretable attributes to explain classifiers and identify microscopic cellular variations between different conditions. We demonstrate the effectiveness of DiffEx in explaining classifiers trained on natural and biological images. Furthermore, we use DiffEx to uncover phenotypic differences within microscopy datasets. By offering insights into cellular variations through classifier explanations, DiffEx has the potential to advance the understanding of diseases and aid drug discovery by identifying novel biomarkers.

Automatic detection of hate and abusive language is essential to combat its online spread. Moreover, recognising and explaining hate speech serves to educate people about its negative effects. However, most current detection models operate as black boxes, lacking interpretability and explainability. In this context, Large Language Models (LLMs) have proven effective for hate speech detection and to promote interpretability. Nevertheless, they are computationally costly to run. In this work, we propose distilling big language models by using Chain-of-Thought to extract explanations that support the hate speech classification task. Having small language models for these tasks will contribute to their use in operational settings. In this paper, we demonstrate that distilled models deliver explanations of the same quality as larger models while surpassing them in classification performance. This dual capability, classifying and explaining, advances hate speech detection making it more affordable, understandable and actionable.

Reliability is essential for ensuring efficiency in LLM training. However, many real-world reliability issues remain difficult to resolve, resulting in wasted resources and degraded model performance. Unfortunately, today's collective communication libraries operate as black boxes, hiding critical information needed for effective root cause analysis. We propose Mycroft, a lightweight distributed tracing and root cause analysis system designed to address previously hidden reliability issues in collective communication. Mycroft's key idea is to trace collective communication states and leverage internal control and data dependencies to resolve reliability problems in LLM training. Mycroft has been deployed at ByteDance for over six months to debug collective communication related issues at runtime. It detected anomalies within 15 seconds in 90% of cases and identified the root cause within 20 seconds in 60% of cases. We also conducted extensive fault injection experiments to demonstrate Mycroft's capability and efficiency.

Today's most advanced machine-learning models are hardly scrutable. The key challenge for explainability methods is to help assisting researchers in opening up these black boxes, by revealing the strategy that led to a given decision, by characterizing their internal states or by studying the underlying data representation. To address this challenge, we have developed Xplique: a software library for explainability which includes representative explainability methods as well as associated evaluation metrics. It interfaces with one of the most popular learning libraries: Tensorflow as well as other libraries including PyTorch, scikit-learn and Theano. The code is licensed under the MIT license and is freely available at github.com/deel-ai/xplique.

Despite widespread adoption, machine learning models remain mostly black boxes. Understanding the reasons behind predictions is, however, quite important in assessing trust, which is fundamental if one plans to take action based on a prediction, or when choosing whether to deploy a new model. Such understanding also provides insights into the model, which can be used to transform an untrustworthy model or prediction into a trustworthy one. In this work, we propose LIME, a novel explanation technique that explains the predictions of any classifier in an interpretable and faithful manner, by learning an interpretable model locally around the prediction. We also propose a method to explain models by presenting representative individual predictions and their explanations in a non-redundant way, framing the task as a submodular optimization problem. We demonstrate the flexibility of these methods by explaining different models for text (e.g. random forests) and image classification (e.g. neural networks). We show the utility of explanations via novel experiments, both simulated and with human subjects, on various scenarios that require trust: deciding if one should trust a prediction, choosing between models, improving an untrustworthy classifier, and identifying why a classifier should not be trusted.

The rapid advancement of image generation technologies intensifies the demand for interpretable and robust detection methods. Although existing approaches often attain high accuracy, they typically operate as black boxes without providing human-understandable justifications. Multi-modal Large Language Models (MLLMs), while not originally intended for forgery detection, exhibit strong analytical and reasoning capabilities. When properly fine-tuned, they can effectively identify AI-generated images and offer meaningful explanations. However, existing MLLMs still struggle with hallucination and often fail to align their visual interpretations with actual image content and human reasoning. To bridge this gap, we construct a dataset of AI-generated images annotated with bounding boxes and descriptive captions that highlight synthesis artifacts, establishing a foundation for human-aligned visual-textual grounded reasoning. We then finetune MLLMs through a multi-stage optimization strategy that progressively balances the objectives of accurate detection, visual localization, and coherent textual explanation. The resulting model achieves superior performance in both detecting AI-generated images and localizing visual flaws, significantly outperforming baseline methods.

Identifying low-dimensional latent structures within high-dimensional data has long been a central topic in the machine learning community, driven by the need for data compression, storage, transmission, and deeper data understanding. Traditional methods, such as principal component analysis (PCA) and autoencoders (AE), operate in an unsupervised manner, ignoring label information even when it is available. In this work, we introduce a unified method capable of learning latent spaces in both unsupervised and supervised settings. We formulate the problem as a nonlinear multiple-response regression within an index model context. By applying the generalized Stein's lemma, the latent space can be estimated without knowing the nonlinear link functions. Our method can be viewed as a nonlinear generalization of PCA. Moreover, unlike AE and other neural network methods that operate as "black boxes", our approach not only offers better interpretability but also reduces computational complexity while providing strong theoretical guarantees. Comprehensive numerical experiments and real data analyses demonstrate the superior performance of our method.

Property prediction accuracy has long been a key parameter of machine learning in materials informatics. Accordingly, advanced models showing state-of-the-art performance turn into highly parameterized black boxes missing interpretability. Here, we present an elegant way to make their reasoning transparent. Human-readable text-based descriptions automatically generated within a suite of open-source tools are proposed as materials representation. Transformer language models pretrained on 2 million peer-reviewed articles take as input well-known terms, e.g., chemical composition, crystal symmetry, and site geometry. Our approach outperforms crystal graph networks by classifying four out of five analyzed properties if one considers all available reference data. Moreover, fine-tuned text-based models show high accuracy in the ultra-small data limit. Explanations of their internal machinery are produced using local interpretability techniques and are faithful and consistent with domain expert rationales. This language-centric framework makes accurate property predictions accessible to people without artificial-intelligence expertise.

We initiate the study of proper losses for evaluating generative models in the discrete setting. Unlike traditional proper losses, we treat both the generative model and the target distribution as black-boxes, only assuming ability to draw i.i.d. samples. We define a loss to be black-box proper if the generative distribution that minimizes expected loss is equal to the target distribution. Using techniques from statistical estimation theory, we give a general construction and characterization of black-box proper losses: they must take a polynomial form, and the number of draws from the model and target distribution must exceed the degree of the polynomial. The characterization rules out a loss whose expectation is the cross-entropy between the target distribution and the model. By extending the construction to arbitrary sampling schemes such as Poisson sampling, however, we show that one can construct such a loss.

In Autonomous Driving (AD) transparency and safety are paramount, as mistakes are costly. However, neural networks used in AD systems are generally considered black boxes. As a countermeasure, we have methods of explainable AI (XAI), such as feature relevance estimation and dimensionality reduction. Coarse graining techniques can also help reduce dimensionality and find interpretable global patterns. A specific coarse graining method is Renormalization Groups from statistical physics. It has previously been applied to Restricted Boltzmann Machines (RBMs) to interpret unsupervised learning. We refine this technique by building a transparent backbone model for convolutional variational autoencoders (VAE) that allows mapping latent values to input features and has performance comparable to trained black box VAEs. Moreover, we propose a custom feature map visualization technique to analyze the internal convolutional layers in the VAE to explain internal causes of poor reconstruction that may lead to dangerous traffic scenarios in AD applications. In a second key contribution, we propose explanation and evaluation techniques for the internal dynamics and feature relevance of prediction networks. We test a long short-term memory (LSTM) network in the computer vision domain to evaluate the predictability and in future applications potentially safety of prediction models. We showcase our methods by analyzing a VAE-LSTM world model that predicts pedestrian perception in an urban traffic situation.

Large language models (LLMs) excel at complex reasoning tasks such as mathematics and coding, yet they frequently struggle with simple interactive tasks that young children perform effortlessly. This discrepancy highlights a critical gap between declarative knowledge (knowing about something) and procedural knowledge (knowing how to do something). Although traditional reinforcement learning (RL) agents can acquire procedural knowledge through environmental interaction, they often operate as black boxes and require substantial training data. In contrast, LLMs possess extensive world knowledge and reasoning capabilities, but are unable to effectively convert this static knowledge into dynamic decision-making in interactive settings. To address this challenge, we propose Think in Games (TiG), a novel framework that empowers LLMs to develop procedural understanding through direct interaction with game environments, while retaining their inherent reasoning and explanatory abilities. Specifically, TiG reformulates RL-based decision-making as a language modeling task: LLMs generate language-guided policies, which are refined iteratively through online reinforcement learning based on environmental feedback. Our experimental results show that TiG successfully bridges the gap between declarative and procedural knowledge, achieving competitive performance with dramatically lower data and computational demands compared to conventional RL methods. Moreover, TiG provides step-by-step natural language explanations for its decisions, greatly improving transparency and interpretability in complex interactive tasks.

Recent developments in large language models (LLMs) have been impressive. However, these models sometimes show inconsistencies and problematic behavior, such as hallucinating facts, generating flawed code, or creating offensive and toxic content. Unlike these models, humans typically utilize external tools to cross-check and refine their initial content, like using a search engine for fact-checking, or a code interpreter for debugging. Inspired by this observation, we introduce a framework called CRITIC that allows LLMs, which are essentially "black boxes" to validate and progressively amend their own outputs in a manner similar to human interaction with tools. More specifically, starting with an initial output, CRITIC interacts with appropriate tools to evaluate certain aspects of the text, and then revises the output based on the feedback obtained during this validation process. Comprehensive evaluations involving free-form question answering, mathematical program synthesis, and toxicity reduction demonstrate that CRITIC consistently enhances the performance of LLMs. Meanwhile, our research highlights the crucial importance of external feedback in promoting the ongoing self-improvement of LLMs.

Medical image classification requires not only high predictive performance but also interpretability to ensure clinical trust and adoption. Graph Neural Networks (GNNs) offer a powerful framework for modeling relational structures within datasets; however, standard GNNs often operate as black boxes, limiting transparency and usability, particularly in clinical settings. In this work, we present an interpretable graph-based learning framework named FireGNN that integrates trainable fuzzy rules into GNNs for medical image classification. These rules embed topological descriptors - node degree, clustering coefficient, and label agreement - using learnable thresholds and sharpness parameters to enable intrinsic symbolic reasoning. Additionally, we explore auxiliary self-supervised tasks (e.g., homophily prediction, similarity entropy) as a benchmark to evaluate the contribution of topological learning. Our fuzzy-rule-enhanced model achieves strong performance across five MedMNIST benchmarks and the synthetic dataset MorphoMNIST, while also generating interpretable rule-based explanations. To our knowledge, this is the first integration of trainable fuzzy rules within a GNN. Source Code: https://github.com/basiralab/FireGNN

The rapid growth of AI has led to more complex deep learning models, often operating as opaque "black boxes" with limited transparency in their decision-making. This lack of interpretability poses challenges, especially in high-stakes applications where understanding model output is crucial. This work highlights the importance of interpretability in fostering trust, accountability, and responsible deployment. To address these challenges, we introduce DLBacktrace, a novel, model-agnostic technique designed to provide clear insights into deep learning model decisions across a wide range of domains and architectures, including MLPs, CNNs, and Transformer-based LLM models. We present a comprehensive overview of DLBacktrace and benchmark its performance against established interpretability methods such as SHAP, LIME, and GradCAM. Our results demonstrate that DLBacktrace effectively enhances understanding of model behavior across diverse tasks. DLBacktrace is compatible with models developed in both PyTorch and TensorFlow, supporting architectures such as BERT, ResNet, U-Net, and custom DNNs for tabular data. The library is open-sourced and available at https://github.com/AryaXAI/DLBacktrace .

Advancements in high-throughput technologies have led to a shift from traditional hypothesis-driven methodologies to data-driven approaches. Multi-omics refers to the integrative analysis of data derived from multiple 'omes', such as genomics, proteomics, transcriptomics, metabolomics, and microbiomics. This approach enables a comprehensive understanding of biological systems by capturing different layers of biological information. Deep learning methods are increasingly utilized to integrate multi-omics data, offering insights into molecular interactions and enhancing research into complex diseases. However, these models, with their numerous interconnected layers and nonlinear relationships, often function as black boxes, lacking transparency in decision-making processes. To overcome this challenge, explainable artificial intelligence (xAI) methods are crucial for creating transparent models that allow clinicians to interpret and work with complex data more effectively. This review explores how xAI can improve the interpretability of deep learning models in multi-omics research, highlighting its potential to provide clinicians with clear insights, thereby facilitating the effective application of such models in clinical settings.

Neural metrics for machine translation evaluation, such as COMET, exhibit significant improvements in their correlation with human judgments, as compared to traditional metrics based on lexical overlap, such as BLEU. Yet, neural metrics are, to a great extent, "black boxes" returning a single sentence-level score without transparency about the decision-making process. In this work, we develop and compare several neural explainability methods and demonstrate their effectiveness for interpreting state-of-the-art fine-tuned neural metrics. Our study reveals that these metrics leverage token-level information that can be directly attributed to translation errors, as assessed through comparison of token-level neural saliency maps with Multidimensional Quality Metrics (MQM) annotations and with synthetically-generated critical translation errors. To ease future research, we release our code at: https://github.com/Unbabel/COMET/tree/explainable-metrics.

Influence estimation analyzes how changes to the training data can lead to different model predictions; this analysis can help us better understand these predictions, the models making those predictions, and the data sets they're trained on. However, most influence-estimation techniques are designed for deep learning models with continuous parameters. Gradient-boosted decision trees (GBDTs) are a powerful and widely-used class of models; however, these models are black boxes with opaque decision-making processes. In the pursuit of better understanding GBDT predictions and generally improving these models, we adapt recent and popular influence-estimation methods designed for deep learning models to GBDTs. Specifically, we adapt representer-point methods and TracIn, denoting our new methods TREX and BoostIn, respectively; source code is available at https://github.com/jjbrophy47/tree_influence. We compare these methods to LeafInfluence and other baselines using 5 different evaluation measures on 22 real-world data sets with 4 popular GBDT implementations. These experiments give us a comprehensive overview of how different approaches to influence estimation work in GBDT models. We find BoostIn is an efficient influence-estimation method for GBDTs that performs equally well or better than existing work while being four orders of magnitude faster. Our evaluation also suggests the gold-standard approach of leave-one-out (LOO) retraining consistently identifies the single-most influential training example but performs poorly at finding the most influential set of training examples for a given target prediction.

The proposed method aims to approximate a solution of a fluid-fluid interaction problem in case of low viscosities. The nonlinear interface condition on the joint boundary allows for this problem to be viewed as a simplified version of the atmosphere-ocean coupling. Thus, the proposed method should be viewed as potentially applicable to air-sea coupled flows in turbulent regime. The method consists of two key ingredients. The geometric averaging approach is used for efficient and stable decoupling of the problem, which would allow for the usage of preexisting codes for the air and sea domain separately, as "black boxes". This is combined with the variational multiscale stabilization technique for treating flows at high Reynolds numbers. We prove the stability and accuracy of the method and provide several numerical tests to assess both the quantitative and qualitative features of the computed solution.

This paper provides a comprehensive survey of the latest research on multilingual large language models (MLLMs). MLLMs not only are able to understand and generate language across linguistic boundaries, but also represent an important advancement in artificial intelligence. We first discuss the architecture and pre-training objectives of MLLMs, highlighting the key components and methodologies that contribute to their multilingual capabilities. We then discuss the construction of multilingual pre-training and alignment datasets, underscoring the importance of data quality and diversity in enhancing MLLM performance. An important focus of this survey is on the evaluation of MLLMs. We present a detailed taxonomy and roadmap covering the assessment of MLLMs' cross-lingual knowledge, reasoning, alignment with human values, safety, interpretability and specialized applications. Specifically, we extensively discuss multilingual evaluation benchmarks and datasets, and explore the use of LLMs themselves as multilingual evaluators. To enhance MLLMs from black to white boxes, we also address the interpretability of multilingual capabilities, cross-lingual transfer and language bias within these models. Finally, we provide a comprehensive review of real-world applications of MLLMs across diverse domains, including biology, medicine, computer science, mathematics and law. We showcase how these models have driven innovation and improvements in these specialized fields while also highlighting the challenges and opportunities in deploying MLLMs within diverse language communities and application scenarios. We listed the paper related in this survey and publicly available at https://github.com/tjunlp-lab/Awesome-Multilingual-LLMs-Papers.

Robot learning holds tremendous promise to unlock the full potential of flexible, general, and dexterous robot systems, as well as to address some of the deepest questions in artificial intelligence. However, bringing robot learning to the level of generality required for effective real-world systems faces major obstacles in terms of data, generalization, and robustness. In this paper, we discuss how generalist robot policies (i.e., robot foundation models) can address these challenges, and how we can design effective generalist robot policies for complex and highly dexterous tasks. We propose a novel flow matching architecture built on top of a pre-trained vision-language model (VLM) to inherit Internet-scale semantic knowledge. We then discuss how this model can be trained on a large and diverse dataset from multiple dexterous robot platforms, including single-arm robots, dual-arm robots, and mobile manipulators. We evaluate our model in terms of its ability to perform tasks in zero shot after pre-training, follow language instructions from people and from a high-level VLM policy, and its ability to acquire new skills via fine-tuning. Our results cover a wide variety of tasks, such as laundry folding, table cleaning, and assembling boxes.

Human pose and shape (HPS) estimation presents challenges in diverse scenarios such as crowded scenes, person-person interactions, and single-view reconstruction. Existing approaches lack mechanisms to incorporate auxiliary "side information" that could enhance reconstruction accuracy in such challenging scenarios. Furthermore, the most accurate methods rely on cropped person detections and cannot exploit scene context while methods that process the whole image often fail to detect people and are less accurate than methods that use crops. While recent language-based methods explore HPS reasoning through large language or vision-language models, their metric accuracy is well below the state of the art. In contrast, we present PromptHMR, a transformer-based promptable method that reformulates HPS estimation through spatial and semantic prompts. Our method processes full images to maintain scene context and accepts multiple input modalities: spatial prompts like bounding boxes and masks, and semantic prompts like language descriptions or interaction labels. PromptHMR demonstrates robust performance across challenging scenarios: estimating people from bounding boxes as small as faces in crowded scenes, improving body shape estimation through language descriptions, modeling person-person interactions, and producing temporally coherent motions in videos. Experiments on benchmarks show that PromptHMR achieves state-of-the-art performance while offering flexible prompt-based control over the HPS estimation process.

This paper focuses on the regression of multiple 3D people from a single RGB image. Existing approaches predominantly follow a multi-stage pipeline that first detects people in bounding boxes and then independently regresses their 3D body meshes. In contrast, we propose to Regress all meshes in a One-stage fashion for Multiple 3D People (termed ROMP). The approach is conceptually simple, bounding box-free, and able to learn a per-pixel representation in an end-to-end manner. Our method simultaneously predicts a Body Center heatmap and a Mesh Parameter map, which can jointly describe the 3D body mesh on the pixel level. Through a body-center-guided sampling process, the body mesh parameters of all people in the image are easily extracted from the Mesh Parameter map. Equipped with such a fine-grained representation, our one-stage framework is free of the complex multi-stage process and more robust to occlusion. Compared with state-of-the-art methods, ROMP achieves superior performance on the challenging multi-person benchmarks, including 3DPW and CMU Panoptic. Experiments on crowded/occluded datasets demonstrate the robustness under various types of occlusion. The released code is the first real-time implementation of monocular multi-person 3D mesh regression.

Understanding the decision-making process of Graph Neural Networks (GNNs) is crucial to their interpretability. Most existing methods for explaining GNNs typically rely on training auxiliary models, resulting in the explanations remain black-boxed. This paper introduces Graph Output Attribution (GOAt), a novel method to attribute graph outputs to input graph features, creating GNN explanations that are faithful, discriminative, as well as stable across similar samples. By expanding the GNN as a sum of scalar products involving node features, edge features and activation patterns, we propose an efficient analytical method to compute contribution of each node or edge feature to each scalar product and aggregate the contributions from all scalar products in the expansion form to derive the importance of each node and edge. Through extensive experiments on synthetic and real-world data, we show that our method not only outperforms various state-ofthe-art GNN explainers in terms of the commonly used fidelity metric, but also exhibits stronger discriminability, and stability by a remarkable margin.

Black-box risk scoring models permeate our lives, yet are typically proprietary or opaque. We propose Distill-and-Compare, a model distillation and comparison approach to audit such models. To gain insight into black-box models, we treat them as teachers, training transparent student models to mimic the risk scores assigned by black-box models. We compare the student model trained with distillation to a second un-distilled transparent model trained on ground-truth outcomes, and use differences between the two models to gain insight into the black-box model. Our approach can be applied in a realistic setting, without probing the black-box model API. We demonstrate the approach on four public data sets: COMPAS, Stop-and-Frisk, Chicago Police, and Lending Club. We also propose a statistical test to determine if a data set is missing key features used to train the black-box model. Our test finds that the ProPublica data is likely missing key feature(s) used in COMPAS.

Recent works have shown that deep neural networks are vulnerable to adversarial examples that find samples close to the original image but can make the model misclassify. Even with access only to the model's output, an attacker can employ black-box attacks to generate such adversarial examples. In this work, we propose a simple and lightweight defense against black-box attacks by adding random noise to hidden features at intermediate layers of the model at inference time. Our theoretical analysis confirms that this method effectively enhances the model's resilience against both score-based and decision-based black-box attacks. Importantly, our defense does not necessitate adversarial training and has minimal impact on accuracy, rendering it applicable to any pre-trained model. Our analysis also reveals the significance of selectively adding noise to different parts of the model based on the gradient of the adversarial objective function, which can be varied during the attack. We demonstrate the robustness of our defense against multiple black-box attacks through extensive empirical experiments involving diverse models with various architectures.

Deep learning models have shown their potential for several applications. However, most of the models are opaque and difficult to trust due to their complex reasoning - commonly known as the black-box problem. Some fields, such as medicine, require a high degree of transparency to accept and adopt such technologies. Consequently, creating explainable/interpretable models or applying post-hoc methods on classifiers to build trust in deep learning models are required. Moreover, deep learning methods can be used for segmentation tasks, which typically require hard-to-obtain, time-consuming manually-annotated segmentation labels for training. This paper introduces three inherently-explainable classifiers to tackle both of these problems as one. The localisation heatmaps provided by the networks -- representing the models' focus areas and being used in classification decision-making -- can be directly interpreted, without requiring any post-hoc methods to derive information for model explanation. The models are trained by using the input image and only the classification labels as ground-truth in a supervised fashion - without using any information about the location of the region of interest (i.e. the segmentation labels), making the segmentation training of the models weakly-supervised through classification labels. The final segmentation is obtained by thresholding these heatmaps. The models were employed for the task of multi-class brain tumour classification using two different datasets, resulting in the best F1-score of 0.93 for the supervised classification task while securing a median Dice score of 0.67pm0.08 for the weakly-supervised segmentation task. Furthermore, the obtained accuracy on a subset of tumour-only images outperformed the state-of-the-art glioma tumour grading binary classifiers with the best model achieving 98.7\% accuracy.

The growing complexity of machine learning and deep learning models has led to an increased reliance on opaque "black box" systems, making it difficult to understand the rationale behind predictions. This lack of transparency is particularly challenging in high-stakes applications where interpretability is as important as accuracy. Post-hoc explanation methods are commonly used to interpret these models, but they are seldom rigorously evaluated, raising concerns about their reliability. The Python package xai_evals addresses this by providing a comprehensive framework for generating, benchmarking, and evaluating explanation methods across both tabular and image data modalities. It integrates popular techniques like SHAP, LIME, Grad-CAM, Integrated Gradients (IG), and Backtrace, while supporting evaluation metrics such as faithfulness, sensitivity, and robustness. xai_evals enhances the interpretability of machine learning models, fostering transparency and trust in AI systems. The library is open-sourced at https://pypi.org/project/xai-evals/ .

We focus on the problem of black-box adversarial attacks, where the aim is to generate adversarial examples for deep learning models solely based on information limited to output label~(hard label) to a queried data input. We propose a simple and efficient Bayesian Optimization~(BO) based approach for developing black-box adversarial attacks. Issues with BO's performance in high dimensions are avoided by searching for adversarial examples in a structured low-dimensional subspace. We demonstrate the efficacy of our proposed attack method by evaluating both ell_infty and ell_2 norm constrained untargeted and targeted hard label black-box attacks on three standard datasets - MNIST, CIFAR-10 and ImageNet. Our proposed approach consistently achieves 2x to 10x higher attack success rate while requiring 10x to 20x fewer queries compared to the current state-of-the-art black-box adversarial attacks.

The lack of adversarial robustness has been recognized as an important issue for state-of-the-art machine learning (ML) models, e.g., deep neural networks (DNNs). Thereby, robustifying ML models against adversarial attacks is now a major focus of research. However, nearly all existing defense methods, particularly for robust training, made the white-box assumption that the defender has the access to the details of an ML model (or its surrogate alternatives if available), e.g., its architectures and parameters. Beyond existing works, in this paper we aim to address the problem of black-box defense: How to robustify a black-box model using just input queries and output feedback? Such a problem arises in practical scenarios, where the owner of the predictive model is reluctant to share model information in order to preserve privacy. To this end, we propose a general notion of defensive operation that can be applied to black-box models, and design it through the lens of denoised smoothing (DS), a first-order (FO) certified defense technique. To allow the design of merely using model queries, we further integrate DS with the zeroth-order (gradient-free) optimization. However, a direct implementation of zeroth-order (ZO) optimization suffers a high variance of gradient estimates, and thus leads to ineffective defense. To tackle this problem, we next propose to prepend an autoencoder (AE) to a given (black-box) model so that DS can be trained using variance-reduced ZO optimization. We term the eventual defense as ZO-AE-DS. In practice, we empirically show that ZO-AE- DS can achieve improved accuracy, certified robustness, and query complexity over existing baselines. And the effectiveness of our approach is justified under both image classification and image reconstruction tasks. Codes are available at https://github.com/damon-demon/Black-Box-Defense.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

Recent work has proposed stateful defense models (SDMs) as a compelling strategy to defend against a black-box attacker who only has query access to the model, as is common for online machine learning platforms. Such stateful defenses aim to defend against black-box attacks by tracking the query history and detecting and rejecting queries that are "similar" and thus preventing black-box attacks from finding useful gradients and making progress towards finding adversarial attacks within a reasonable query budget. Recent SDMs (e.g., Blacklight and PIHA) have shown remarkable success in defending against state-of-the-art black-box attacks. In this paper, we show that SDMs are highly vulnerable to a new class of adaptive black-box attacks. We propose a novel adaptive black-box attack strategy called Oracle-guided Adaptive Rejection Sampling (OARS) that involves two stages: (1) use initial query patterns to infer key properties about an SDM's defense; and, (2) leverage those extracted properties to design subsequent query patterns to evade the SDM's defense while making progress towards finding adversarial inputs. OARS is broadly applicable as an enhancement to existing black-box attacks - we show how to apply the strategy to enhance six common black-box attacks to be more effective against current class of SDMs. For example, OARS-enhanced versions of black-box attacks improved attack success rate against recent stateful defenses from almost 0% to to almost 100% for multiple datasets within reasonable query budgets.

Recently, methods for skeleton-based human activity recognition have been shown to be vulnerable to adversarial attacks. However, these attack methods require either the full knowledge of the victim (i.e. white-box attacks), access to training data (i.e. transfer-based attacks) or frequent model queries (i.e. black-box attacks). All their requirements are highly restrictive, raising the question of how detrimental the vulnerability is. In this paper, we show that the vulnerability indeed exists. To this end, we consider a new attack task: the attacker has no access to the victim model or the training data or labels, where we coin the term hard no-box attack. Specifically, we first learn a motion manifold where we define an adversarial loss to compute a new gradient for the attack, named skeleton-motion-informed (SMI) gradient. Our gradient contains information of the motion dynamics, which is different from existing gradient-based attack methods that compute the loss gradient assuming each dimension in the data is independent. The SMI gradient can augment many gradient-based attack methods, leading to a new family of no-box attack methods. Extensive evaluation and comparison show that our method imposes a real threat to existing classifiers. They also show that the SMI gradient improves the transferability and imperceptibility of adversarial samples in both no-box and transfer-based black-box settings.

Decision-based evasion attacks repeatedly query a black-box classifier to generate adversarial examples. Prior work measures the cost of such attacks by the total number of queries made to the classifier. We argue this metric is flawed. Most security-critical machine learning systems aim to weed out "bad" data (e.g., malware, harmful content, etc). Queries to such systems carry a fundamentally asymmetric cost: queries detected as "bad" come at a higher cost because they trigger additional security filters, e.g., usage throttling or account suspension. Yet, we find that existing decision-based attacks issue a large number of "bad" queries, which likely renders them ineffective against security-critical systems. We then design new attacks that reduce the number of bad queries by 1.5-7.3times, but often at a significant increase in total (non-bad) queries. We thus pose it as an open problem to build black-box attacks that are more effective under realistic cost metrics.

The purported "black box" nature of neural networks is a barrier to adoption in applications where interpretability is essential. Here we present DeepLIFT (Deep Learning Important FeaTures), a method for decomposing the output prediction of a neural network on a specific input by backpropagating the contributions of all neurons in the network to every feature of the input. DeepLIFT compares the activation of each neuron to its 'reference activation' and assigns contribution scores according to the difference. By optionally giving separate consideration to positive and negative contributions, DeepLIFT can also reveal dependencies which are missed by other approaches. Scores can be computed efficiently in a single backward pass. We apply DeepLIFT to models trained on MNIST and simulated genomic data, and show significant advantages over gradient-based methods. Video tutorial: http://goo.gl/qKb7pL, ICML slides: bit.ly/deeplifticmlslides, ICML talk: https://vimeo.com/238275076, code: http://goo.gl/RM8jvH.

We propose D-RISE, a method for generating visual explanations for the predictions of object detectors. Utilizing the proposed similarity metric that accounts for both localization and categorization aspects of object detection allows our method to produce saliency maps that show image areas that most affect the prediction. D-RISE can be considered "black-box" in the software testing sense, as it only needs access to the inputs and outputs of an object detector. Compared to gradient-based methods, D-RISE is more general and agnostic to the particular type of object detector being tested, and does not need knowledge of the inner workings of the model. We show that D-RISE can be easily applied to different object detectors including one-stage detectors such as YOLOv3 and two-stage detectors such as Faster-RCNN. We present a detailed analysis of the generated visual explanations to highlight the utilization of context and possible biases learned by object detectors.

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.

External audits of AI systems are increasingly recognized as a key mechanism for AI governance. The effectiveness of an audit, however, depends on the degree of system access granted to auditors. Recent audits of state-of-the-art AI systems have primarily relied on black-box access, in which auditors can only query the system and observe its outputs. However, white-box access to the system's inner workings (e.g., weights, activations, gradients) allows an auditor to perform stronger attacks, more thoroughly interpret models, and conduct fine-tuning. Meanwhile, outside-the-box access to its training and deployment information (e.g., methodology, code, documentation, hyperparameters, data, deployment details, findings from internal evaluations) allows for auditors to scrutinize the development process and design more targeted evaluations. In this paper, we examine the limitations of black-box audits and the advantages of white- and outside-the-box audits. We also discuss technical, physical, and legal safeguards for performing these audits with minimal security risks. Given that different forms of access can lead to very different levels of evaluation, we conclude that (1) transparency regarding the access and methods used by auditors is necessary to properly interpret audit results, and (2) white- and outside-the-box access allow for substantially more scrutiny than black-box access alone.

From a simple text prompt, generative-AI image models can create stunningly realistic and creative images bounded, it seems, by only our imagination. These models have achieved this remarkable feat thanks, in part, to the ingestion of billions of images collected from nearly every corner of the internet. Many creators have understandably expressed concern over how their intellectual property has been ingested without their permission or a mechanism to opt out of training. As a result, questions of fair use and copyright infringement have quickly emerged. We describe a method that allows us to determine if a model was trained on a specific image or set of images. This method is computationally efficient and assumes no explicit knowledge of the model architecture or weights (so-called black-box membership inference). We anticipate that this method will be crucial for auditing existing models and, looking ahead, ensuring the fairer development and deployment of generative AI models.

Decision-based adversarial attacks construct inputs that fool a machine-learning model into making targeted mispredictions by making only hard-label queries. For the most part, these attacks have been applied directly to isolated neural network models. However, in practice, machine learning models are just a component of a much larger system. By adding just a single preprocessor in front of a classifier, we find that state-of-the-art query-based attacks are as much as seven times less effective at attacking a prediction pipeline than attacking the machine learning model alone. Hence, attacks that are unaware of this invariance inevitably waste a large number of queries to re-discover or overcome it. We, therefore, develop techniques to first reverse-engineer the preprocessor and then use this extracted information to attack the end-to-end system. Our extraction method requires only a few hundred queries to learn the preprocessors used by most publicly available model pipelines, and our preprocessor-aware attacks recover the same efficacy as just attacking the model alone. The code can be found at https://github.com/google-research/preprocessor-aware-black-box-attack.

Black-box finetuning is an emerging interface for adapting state-of-the-art language models to user needs. However, such access may also let malicious actors undermine model safety. To demonstrate the challenge of defending finetuning interfaces, we introduce covert malicious finetuning, a method to compromise model safety via finetuning while evading detection. Our method constructs a malicious dataset where every individual datapoint appears innocuous, but finetuning on the dataset teaches the model to respond to encoded harmful requests with encoded harmful responses. Applied to GPT-4, our method produces a finetuned model that acts on harmful instructions 99% of the time and avoids detection by defense mechanisms such as dataset inspection, safety evaluations, and input/output classifiers. Our findings question whether black-box finetuning access can be secured against sophisticated adversaries.

A distribution inference attack aims to infer statistical properties of data used to train machine learning models. These attacks are sometimes surprisingly potent, but the factors that impact distribution inference risk are not well understood and demonstrated attacks often rely on strong and unrealistic assumptions such as full knowledge of training environments even in supposedly black-box threat scenarios. To improve understanding of distribution inference risks, we develop a new black-box attack that even outperforms the best known white-box attack in most settings. Using this new attack, we evaluate distribution inference risk while relaxing a variety of assumptions about the adversary's knowledge under black-box access, like known model architectures and label-only access. Finally, we evaluate the effectiveness of previously proposed defenses and introduce new defenses. We find that although noise-based defenses appear to be ineffective, a simple re-sampling defense can be highly effective. Code is available at https://github.com/iamgroot42/dissecting_distribution_inference

While deep learning has led to huge progress in complex image classification tasks like ImageNet, unexpected failure modes, e.g. via spurious features, call into question how reliably these classifiers work in the wild. Furthermore, for safety-critical tasks the black-box nature of their decisions is problematic, and explanations or at least methods which make decisions plausible are needed urgently. In this paper, we address these problems by generating images that optimize a classifier-derived objective using a framework for guided image generation. We analyze the decisions of image classifiers by visual counterfactual explanations (VCEs), detection of systematic mistakes by analyzing images where classifiers maximally disagree, and visualization of neurons and spurious features. In this way, we validate existing observations, e.g. the shape bias of adversarially robust models, as well as novel failure modes, e.g. systematic errors of zero-shot CLIP classifiers. Moreover, our VCEs outperform previous work while being more versatile.

Note: This paper describes an older version of DeepLIFT. See https://arxiv.org/abs/1704.02685 for the newer version. Original abstract follows: The purported "black box" nature of neural networks is a barrier to adoption in applications where interpretability is essential. Here we present DeepLIFT (Learning Important FeaTures), an efficient and effective method for computing importance scores in a neural network. DeepLIFT compares the activation of each neuron to its 'reference activation' and assigns contribution scores according to the difference. We apply DeepLIFT to models trained on natural images and genomic data, and show significant advantages over gradient-based methods.

In science and medicine, model interpretations may be reported as discoveries of natural phenomena or used to guide patient treatments. In such high-stakes tasks, false discoveries may lead investigators astray. These applications would therefore benefit from control over the finite-sample error rate of interpretations. We reframe black box model interpretability as a multiple hypothesis testing problem. The task is to discover "important" features by testing whether the model prediction is significantly different from what would be expected if the features were replaced with uninformative counterfactuals. We propose two testing methods: one that provably controls the false discovery rate but which is not yet feasible for large-scale applications, and an approximate testing method which can be applied to real-world data sets. In simulation, both tests have high power relative to existing interpretability methods. When applied to state-of-the-art vision and language models, the framework selects features that intuitively explain model predictions. The resulting explanations have the additional advantage that they are themselves easy to interpret.

Checkboxes are critical in real-world document processing where the presence or absence of ticks directly informs data extraction and decision-making processes. Yet, despite the strong performance of Large Vision and Language Models across a wide range of tasks, they struggle with interpreting checkable content. This challenge becomes particularly pressing in industries where a single overlooked checkbox may lead to costly regulatory or contractual oversights. To address this gap, we introduce the CheckboxQA dataset, a targeted resource designed to evaluate and improve model performance on checkbox-related tasks. It reveals the limitations of current models and serves as a valuable tool for advancing document comprehension systems, with significant implications for applications in sectors such as legal tech and finance. The dataset is publicly available at: https://github.com/Snowflake-Labs/CheckboxQA

Decision-based black-box attacks often necessitate a large number of queries to craft an adversarial example. Moreover, decision-based attacks based on querying boundary points in the estimated normal vector direction often suffer from inefficiency and convergence issues. In this paper, we propose a novel query-efficient curvature-aware geometric decision-based black-box attack (CGBA) that conducts boundary search along a semicircular path on a restricted 2D plane to ensure finding a boundary point successfully irrespective of the boundary curvature. While the proposed CGBA attack can work effectively for an arbitrary decision boundary, it is particularly efficient in exploiting the low curvature to craft high-quality adversarial examples, which is widely seen and experimentally verified in commonly used classifiers under non-targeted attacks. In contrast, the decision boundaries often exhibit higher curvature under targeted attacks. Thus, we develop a new query-efficient variant, CGBA-H, that is adapted for the targeted attack. In addition, we further design an algorithm to obtain a better initial boundary point at the expense of some extra queries, which considerably enhances the performance of the targeted attack. Extensive experiments are conducted to evaluate the performance of our proposed methods against some well-known classifiers on the ImageNet and CIFAR10 datasets, demonstrating the superiority of CGBA and CGBA-H over state-of-the-art non-targeted and targeted attacks, respectively. The source code is available at https://github.com/Farhamdur/CGBA.

Audio effects are extensively used at every stage of audio and music content creation. The majority of differentiable audio effects modeling approaches fall into the black-box or gray-box paradigms; and most models have been proposed and applied to nonlinear effects like guitar amplifiers, overdrive, distortion, fuzz and compressor. Although a plethora of architectures have been introduced for the task at hand there is still lack of understanding on the state of the art, since most publications experiment with one type of nonlinear audio effect and a very small number of devices. In this work we aim to shed light on the audio effects modeling landscape by comparing black-box and gray-box architectures on a large number of nonlinear audio effects, identifying the most suitable for a wide range of devices. In the process, we also: introduce time-varying gray-box models and propose models for compressor, distortion and fuzz, publish a large dataset for audio effects research - ToneTwist AFx https://github.com/mcomunita/tonetwist-afx-dataset - that is also the first open to community contributions, evaluate models on a variety of metrics and conduct extensive subjective evaluation. Code https://github.com/mcomunita/nablafx and supplementary material https://github.com/mcomunita/nnlinafx-supp-material are also available.

The adversarial vulnerability of Deep Neural Networks (DNNs) has been well-known and widely concerned, often under the context of learning top-1 attacks (e.g., fooling a DNN to classify a cat image as dog). This paper shows that the concern is much more serious by learning significantly more aggressive ordered top-K clear-box~ This is often referred to as white/black-box attacks in the literature. We choose to adopt neutral terminology, clear/opaque-box attacks in this paper, and omit the prefix clear-box for simplicity. targeted attacks proposed in Adversarial Distillation. We propose a novel and rigorous quadratic programming (QP) method of learning ordered top-K attacks with low computing cost, dubbed as QuadAttacK. Our QuadAttacK directly solves the QP to satisfy the attack constraint in the feature embedding space (i.e., the input space to the final linear classifier), which thus exploits the semantics of the feature embedding space (i.e., the principle of class coherence). With the optimized feature embedding vector perturbation, it then computes the adversarial perturbation in the data space via the vanilla one-step back-propagation. In experiments, the proposed QuadAttacK is tested in the ImageNet-1k classification using ResNet-50, DenseNet-121, and Vision Transformers (ViT-B and DEiT-S). It successfully pushes the boundary of successful ordered top-K attacks from K=10 up to K=20 at a cheap budget (1times 60) and further improves attack success rates for K=5 for all tested models, while retaining the performance for K=1.

We propose a new defense mechanism against adversarial attacks inspired by an optical co-processor, providing robustness without compromising natural accuracy in both white-box and black-box settings. This hardware co-processor performs a nonlinear fixed random transformation, where the parameters are unknown and impossible to retrieve with sufficient precision for large enough dimensions. In the white-box setting, our defense works by obfuscating the parameters of the random projection. Unlike other defenses relying on obfuscated gradients, we find we are unable to build a reliable backward differentiable approximation for obfuscated parameters. Moreover, while our model reaches a good natural accuracy with a hybrid backpropagation - synthetic gradient method, the same approach is suboptimal if employed to generate adversarial examples. We find the combination of a random projection and binarization in the optical system also improves robustness against various types of black-box attacks. Finally, our hybrid training method builds robust features against transfer attacks. We demonstrate our approach on a VGG-like architecture, placing the defense on top of the convolutional features, on CIFAR-10 and CIFAR-100. Code is available at https://github.com/lightonai/adversarial-robustness-by-design.

Large Language Model (LLM) services and models often come with legal rules on who can use them and how they must use them. Assessing the compliance of the released LLMs is crucial, as these rules protect the interests of the LLM contributor and prevent misuse. In this context, we describe the novel problem of Black-box Identity Verification (BBIV). The goal is to determine whether a third-party application uses a certain LLM through its chat function. We propose a method called Targeted Random Adversarial Prompt (TRAP) that identifies the specific LLM in use. We repurpose adversarial suffixes, originally proposed for jailbreaking, to get a pre-defined answer from the target LLM, while other models give random answers. TRAP detects the target LLMs with over 95% true positive rate at under 0.2% false positive rate even after a single interaction. TRAP remains effective even if the LLM has minor changes that do not significantly alter the original function.

We introduce the first model-stealing attack that extracts precise, nontrivial information from black-box production language models like OpenAI's ChatGPT or Google's PaLM-2. Specifically, our attack recovers the embedding projection layer (up to symmetries) of a transformer model, given typical API access. For under \20 USD, our attack extracts the entire projection matrix of OpenAI's Ada and Babbage language models. We thereby confirm, for the first time, that these black-box models have a hidden dimension of 1024 and 2048, respectively. We also recover the exact hidden dimension size of the gpt-3.5-turbo model, and estimate it would cost under 2,000 in queries to recover the entire projection matrix. We conclude with potential defenses and mitigations, and discuss the implications of possible future work that could extend our attack.

The CASH problem has been widely studied in the context of automated configurations of machine learning (ML) pipelines and various solvers and toolkits are available. However, CASH solvers do not directly handle black-box constraints such as fairness, robustness or other domain-specific custom constraints. We present our recent approach [Liu, et al., 2020] that leverages the ADMM optimization framework to decompose CASH into multiple small problems and demonstrate how ADMM facilitates incorporation of black-box constraints.

Despite the improved accuracy of deep neural networks, the discovery of adversarial examples has raised serious safety concerns. Most existing approaches for crafting adversarial examples necessitate some knowledge (architecture, parameters, etc.) of the network at hand. In this paper, we focus on image classifiers and propose a feature-guided black-box approach to test the safety of deep neural networks that requires no such knowledge. Our algorithm employs object detection techniques such as SIFT (Scale Invariant Feature Transform) to extract features from an image. These features are converted into a mutable saliency distribution, where high probability is assigned to pixels that affect the composition of the image with respect to the human visual system. We formulate the crafting of adversarial examples as a two-player turn-based stochastic game, where the first player's objective is to minimise the distance to an adversarial example by manipulating the features, and the second player can be cooperative, adversarial, or random. We show that, theoretically, the two-player game can con- verge to the optimal strategy, and that the optimal strategy represents a globally minimal adversarial image. For Lipschitz networks, we also identify conditions that provide safety guarantees that no adversarial examples exist. Using Monte Carlo tree search we gradually explore the game state space to search for adversarial examples. Our experiments show that, despite the black-box setting, manipulations guided by a perception-based saliency distribution are competitive with state-of-the-art methods that rely on white-box saliency matrices or sophisticated optimization procedures. Finally, we show how our method can be used to evaluate robustness of neural networks in safety-critical applications such as traffic sign recognition in self-driving cars.

Grey-box fuzzers such as American Fuzzy Lop (AFL) are popular tools for finding bugs and potential vulnerabilities in programs. While these fuzzers have been able to find vulnerabilities in many widely used programs, they are not efficient; of the millions of inputs executed by AFL in a typical fuzzing run, only a handful discover unseen behavior or trigger a crash. The remaining inputs are redundant, exhibiting behavior that has already been observed. Here, we present an approach to increase the efficiency of fuzzers like AFL by applying machine learning to directly model how programs behave. We learn a forward prediction model that maps program inputs to execution traces, training on the thousands of inputs collected during standard fuzzing. This learned model guides exploration by focusing on fuzzing inputs on which our model is the most uncertain (measured via the entropy of the predicted execution trace distribution). By focusing on executing inputs our learned model is unsure about, and ignoring any input whose behavior our model is certain about, we show that we can significantly limit wasteful execution. Through testing our approach on a set of binaries released as part of the DARPA Cyber Grand Challenge, we show that our approach is able to find a set of inputs that result in more code coverage and discovered crashes than baseline fuzzers with significantly fewer executions.

It is now a common business practice to buy access to large language model (LLM) inference rather than self-host, because of significant upfront hardware infrastructure and energy costs. However, as a buyer, there is no mechanism to verify the authenticity of the advertised service including the serving hardware platform, e.g. that it is actually being served using an NVIDIA H100. Furthermore, there are reports suggesting that model providers may deliver models that differ slightly from the advertised ones, often to make them run on less expensive hardware. That way, a client pays premium for a capable model access on more expensive hardware, yet ends up being served by a (potentially less capable) cheaper model on cheaper hardware. In this paper we introduce \textbf{hardware and software platform inference (HSPI)} -- a method for identifying the underlying architecture and software stack of a (black-box) machine learning model solely based on its input-output behavior. Our method leverages the inherent differences of various architectures and compilers to distinguish between different types and software stacks. By analyzing the numerical patterns in the model's outputs, we propose a classification framework capable of accurately identifying the used for model inference as well as the underlying software configuration. Our findings demonstrate the feasibility of inferring type from black-box models. We evaluate HSPI against models served on different real hardware and find that in a white-box setting we can distinguish between different s with between 83.9% and 100% accuracy. Even in a black-box setting we are able to achieve results that are up to three times higher than random guess accuracy.

Content watermarking is an important tool for the authentication and copyright protection of digital media. However, it is unclear whether existing watermarks are robust against adversarial attacks. We present the winning solution to the NeurIPS 2024 Erasing the Invisible challenge, which stress-tests watermark robustness under varying degrees of adversary knowledge. The challenge consisted of two tracks: a black-box and beige-box track, depending on whether the adversary knows which watermarking method was used by the provider. For the beige-box track, we leverage an adaptive VAE-based evasion attack, with a test-time optimization and color-contrast restoration in CIELAB space to preserve the image's quality. For the black-box track, we first cluster images based on their artifacts in the spatial or frequency-domain. Then, we apply image-to-image diffusion models with controlled noise injection and semantic priors from ChatGPT-generated captions to each cluster with optimized parameter settings. Empirical evaluations demonstrate that our method successfully achieves near-perfect watermark removal (95.7%) with negligible impact on the residual image's quality. We hope that our attacks inspire the development of more robust image watermarking methods.

We present a generic framework for creating differentially private versions of any hypothesis test in a black-box way. We analyze the resulting tests analytically and experimentally. Most crucially, we show good practical performance for small data sets, showing that at epsilon = 1 we only need 5-6 times as much data as in the fully public setting. We compare our work to the one existing framework of this type, as well as to several individually-designed private hypothesis tests. Our framework is higher power than other generic solutions and at least competitive with (and often better than) individually-designed tests.

Gaining insight into how deep convolutional neural network models perform image classification and how to explain their outputs have been a concern to computer vision researchers and decision makers. These deep models are often referred to as black box due to low comprehension of their internal workings. As an effort to developing explainable deep learning models, several methods have been proposed such as finding gradients of class output with respect to input image (sensitivity maps), class activation map (CAM), and Gradient based Class Activation Maps (Grad-CAM). These methods under perform when localizing multiple occurrences of the same class and do not work for all CNNs. In addition, Grad-CAM does not capture the entire object in completeness when used on single object images, this affect performance on recognition tasks. With the intention to create an enhanced visual explanation in terms of visual sharpness, object localization and explaining multiple occurrences of objects in a single image, we present Smooth Grad-CAM++ Simple demo: http://35.238.22.135:5000/, a technique that combines methods from two other recent techniques---SMOOTHGRAD and Grad-CAM++. Our Smooth Grad-CAM++ technique provides the capability of either visualizing a layer, subset of feature maps, or subset of neurons within a feature map at each instance at the inference level (model prediction process). After experimenting with few images, Smooth Grad-CAM++ produced more visually sharp maps with better localization of objects in the given input images when compared with other methods.

Vision Language Models (VLMs) have revolutionized the creation of generalist web agents, empowering them to autonomously complete diverse tasks on real-world websites, thereby boosting human efficiency and productivity. However, despite their remarkable capabilities, the safety and security of these agents against malicious attacks remain critically underexplored, raising significant concerns about their safe deployment. To uncover and exploit such vulnerabilities in web agents, we provide AdvWeb, a novel black-box attack framework designed against web agents. AdvWeb trains an adversarial prompter model that generates and injects adversarial prompts into web pages, misleading web agents into executing targeted adversarial actions such as inappropriate stock purchases or incorrect bank transactions, actions that could lead to severe real-world consequences. With only black-box access to the web agent, we train and optimize the adversarial prompter model using DPO, leveraging both successful and failed attack strings against the target agent. Unlike prior approaches, our adversarial string injection maintains stealth and control: (1) the appearance of the website remains unchanged before and after the attack, making it nearly impossible for users to detect tampering, and (2) attackers can modify specific substrings within the generated adversarial string to seamlessly change the attack objective (e.g., purchasing stocks from a different company), enhancing attack flexibility and efficiency. We conduct extensive evaluations, demonstrating that AdvWeb achieves high success rates in attacking SOTA GPT-4V-based VLM agent across various web tasks. Our findings expose critical vulnerabilities in current LLM/VLM-based agents, emphasizing the urgent need for developing more reliable web agents and effective defenses. Our code and data are available at https://ai-secure.github.io/AdvWeb/ .

Deep learning models are susceptible to adversarial samples in white and black-box environments. Although previous studies have shown high attack success rates, coupling DNN models with interpretation models could offer a sense of security when a human expert is involved, who can identify whether a given sample is benign or malicious. However, in white-box environments, interpretable deep learning systems (IDLSes) have been shown to be vulnerable to malicious manipulations. In black-box settings, as access to the components of IDLSes is limited, it becomes more challenging for the adversary to fool the system. In this work, we propose a Query-efficient Score-based black-box attack against IDLSes, QuScore, which requires no knowledge of the target model and its coupled interpretation model. QuScore is based on transfer-based and score-based methods by employing an effective microbial genetic algorithm. Our method is designed to reduce the number of queries necessary to carry out successful attacks, resulting in a more efficient process. By continuously refining the adversarial samples created based on feedback scores from the IDLS, our approach effectively navigates the search space to identify perturbations that can fool the system. We evaluate the attack's effectiveness on four CNN models (Inception, ResNet, VGG, DenseNet) and two interpretation models (CAM, Grad), using both ImageNet and CIFAR datasets. Our results show that the proposed approach is query-efficient with a high attack success rate that can reach between 95% and 100% and transferability with an average success rate of 69% in the ImageNet and CIFAR datasets. Our attack method generates adversarial examples with attribution maps that resemble benign samples. We have also demonstrated that our attack is resilient against various preprocessing defense techniques and can easily be transferred to different DNN models.

Purpose: Hard-to-interpret Black-box Machine Learning (ML) were often used for early Alzheimer's Disease (AD) detection. Methods: To interpret eXtreme Gradient Boosting (XGBoost), Random Forest (RF), and Support Vector Machine (SVM) black-box models a workflow based on Shapley values was developed. All models were trained on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and evaluated for an independent ADNI test set, as well as the external Australian Imaging and Lifestyle flagship study of Ageing (AIBL), and Open Access Series of Imaging Studies (OASIS) datasets. Shapley values were compared to intuitively interpretable Decision Trees (DTs), and Logistic Regression (LR), as well as natural and permutation feature importances. To avoid the reduction of the explanation validity caused by correlated features, forward selection and aspect consolidation were implemented. Results: Some black-box models outperformed DTs and LR. The forward-selected features correspond to brain areas previously associated with AD. Shapley values identified biologically plausible associations with moderate to strong correlations with feature importances. The most important RF features to predict AD conversion were the volume of the amygdalae, and a cognitive test score. Good cognitive test performances and large brain volumes decreased the AD risk. The models trained using cognitive test scores significantly outperformed brain volumetric models (p<0.05). Cognitive Normal (CN) vs. AD models were successfully transferred to external datasets. Conclusion: In comparison to previous work, improved performances for ADNI and AIBL were achieved for CN vs. Mild Cognitive Impairment (MCI) classification using brain volumes. The Shapley values and the feature importances showed moderate to strong correlations.

Offline optimization has recently emerged as an increasingly popular approach to mitigate the prohibitively expensive cost of online experimentation. The key idea is to learn a surrogate of the black-box function that underlines the target experiment using a static (offline) dataset of its previous input-output queries. Such an approach is, however, fraught with an out-of-distribution issue where the learned surrogate becomes inaccurate outside the offline data regimes. To mitigate this, existing offline optimizers have proposed numerous conditioning techniques to prevent the learned surrogate from being too erratic. Nonetheless, such conditioning strategies are often specific to particular surrogate or search models, which might not generalize to a different model choice. This motivates us to develop a model-agnostic approach instead, which incorporates a notion of model sharpness into the training loss of the surrogate as a regularizer. Our approach is supported by a new theoretical analysis demonstrating that reducing surrogate sharpness on the offline dataset provably reduces its generalized sharpness on unseen data. Our analysis extends existing theories from bounding generalized prediction loss (on unseen data) with loss sharpness to bounding the worst-case generalized surrogate sharpness with its empirical estimate on training data, providing a new perspective on sharpness regularization. Our extensive experimentation on a diverse range of optimization tasks also shows that reducing surrogate sharpness often leads to significant improvement, marking (up to) a noticeable 9.6% performance boost. Our code is publicly available at https://github.com/cuong-dm/IGNITE

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

Deep Neural Networks have created a paradigm shift in our ability to comprehend raw data in various important fields ranging from computer vision and natural language processing to intelligence warfare and healthcare. While DNNs are increasingly deployed either in a white-box setting where the model internal is publicly known, or a black-box setting where only the model outputs are known, a practical concern is protecting the models against Intellectual Property (IP) infringement. We propose BlackMarks, the first end-to-end multi-bit watermarking framework that is applicable in the black-box scenario. BlackMarks takes the pre-trained unmarked model and the owner's binary signature as inputs and outputs the corresponding marked model with a set of watermark keys. To do so, BlackMarks first designs a model-dependent encoding scheme that maps all possible classes in the task to bit '0' and bit '1' by clustering the output activations into two groups. Given the owner's watermark signature (a binary string), a set of key image and label pairs are designed using targeted adversarial attacks. The watermark (WM) is then embedded in the prediction behavior of the target DNN by fine-tuning the model with generated WM key set. To extract the WM, the remote model is queried by the WM key images and the owner's signature is decoded from the corresponding predictions according to the designed encoding scheme. We perform a comprehensive evaluation of BlackMarks's performance on MNIST, CIFAR10, ImageNet datasets and corroborate its effectiveness and robustness. BlackMarks preserves the functionality of the original DNN and incurs negligible WM embedding runtime overhead as low as 2.054%.

Deep neural networks are widely used for classification. These deep models often suffer from a lack of interpretability -- they are particularly difficult to understand because of their non-linear nature. As a result, neural networks are often treated as "black box" models, and in the past, have been trained purely to optimize the accuracy of predictions. In this work, we create a novel network architecture for deep learning that naturally explains its own reasoning for each prediction. This architecture contains an autoencoder and a special prototype layer, where each unit of that layer stores a weight vector that resembles an encoded training input. The encoder of the autoencoder allows us to do comparisons within the latent space, while the decoder allows us to visualize the learned prototypes. The training objective has four terms: an accuracy term, a term that encourages every prototype to be similar to at least one encoded input, a term that encourages every encoded input to be close to at least one prototype, and a term that encourages faithful reconstruction by the autoencoder. The distances computed in the prototype layer are used as part of the classification process. Since the prototypes are learned during training, the learned network naturally comes with explanations for each prediction, and the explanations are loyal to what the network actually computes.

Fuzz testing, or "fuzzing," refers to a widely deployed class of techniques for testing programs by generating a set of inputs for the express purpose of finding bugs and identifying security flaws. Grey-box fuzzing, the most popular fuzzing strategy, combines light program instrumentation with a data driven process to generate new program inputs. In this work, we present a machine learning approach that builds on AFL, the preeminent grey-box fuzzer, by adaptively learning a probability distribution over its mutation operators on a program-specific basis. These operators, which are selected uniformly at random in AFL and mutational fuzzers in general, dictate how new inputs are generated, a core part of the fuzzer's efficacy. Our main contributions are two-fold: First, we show that a sampling distribution over mutation operators estimated from training programs can significantly improve performance of AFL. Second, we introduce a Thompson Sampling, bandit-based optimization approach that fine-tunes the mutator distribution adaptively, during the course of fuzzing an individual program. A set of experiments across complex programs demonstrates that tuning the mutational operator distribution generates sets of inputs that yield significantly higher code coverage and finds more crashes faster and more reliably than both baseline versions of AFL as well as other AFL-based learning approaches.

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

We propose a new uncertainty estimator for gradient-free optimisation of black-box simulators using deep generative surrogate models. Optimisation of these simulators is especially challenging for stochastic simulators and higher dimensions. To address these issues, we utilise a deep generative surrogate approach to model the black box response for the entire parameter space. We then leverage this knowledge to estimate the proposed uncertainty based on the Wasserstein distance - the Wasserstein uncertainty. This approach is employed in a posterior agnostic gradient-free optimisation algorithm that minimises regret over the entire parameter space. A series of tests were conducted to demonstrate that our method is more robust to the shape of both the black box function and the stochastic response of the black box than state-of-the-art methods, such as efficient global optimisation with a deep Gaussian process surrogate.

Deep neural networks have demonstrated promising performance on image recognition tasks. However, they may heavily rely on confounding factors, using irrelevant artifacts or bias within the dataset as the cue to improve performance. When a model performs decision-making based on these spurious correlations, it can become untrustable and lead to catastrophic outcomes when deployed in the real-world scene. In this paper, we explore and try to solve this problem in the context of skin cancer diagnosis. We introduce a human-in-the-loop framework in the model training process such that users can observe and correct the model's decision logic when confounding behaviors happen. Specifically, our method can automatically discover confounding factors by analyzing the co-occurrence behavior of the samples. It is capable of learning confounding concepts using easily obtained concept exemplars. By mapping the black-box model's feature representation onto an explainable concept space, human users can interpret the concept and intervene via first order-logic instruction. We systematically evaluate our method on our newly crafted, well-controlled skin lesion dataset and several public skin lesion datasets. Experiments show that our method can effectively detect and remove confounding factors from datasets without any prior knowledge about the category distribution and does not require fully annotated concept labels. We also show that our method enables the model to focus on clinical-related concepts, improving the model's performance and trustworthiness during model inference.

The integration of large language models with external content has enabled applications such as Microsoft Copilot but also introduced vulnerabilities to indirect prompt injection attacks. In these attacks, malicious instructions embedded within external content can manipulate LLM outputs, causing deviations from user expectations. To address this critical yet under-explored issue, we introduce the first benchmark for indirect prompt injection attacks, named BIPIA, to assess the risk of such vulnerabilities. Using BIPIA, we evaluate existing LLMs and find them universally vulnerable. Our analysis identifies two key factors contributing to their success: LLMs' inability to distinguish between informational context and actionable instructions, and their lack of awareness in avoiding the execution of instructions within external content. Based on these findings, we propose two novel defense mechanisms-boundary awareness and explicit reminder-to address these vulnerabilities in both black-box and white-box settings. Extensive experiments demonstrate that our black-box defense provides substantial mitigation, while our white-box defense reduces the attack success rate to near-zero levels, all while preserving the output quality of LLMs. We hope this work inspires further research into securing LLM applications and fostering their safe and reliable use.

Perception of toxicity evolves over time and often differs between geographies and cultural backgrounds. Similarly, black-box commercially available APIs for detecting toxicity, such as the Perspective API, are not static, but frequently retrained to address any unattended weaknesses and biases. We evaluate the implications of these changes on the reproducibility of findings that compare the relative merits of models and methods that aim to curb toxicity. Our findings suggest that research that relied on inherited automatic toxicity scores to compare models and techniques may have resulted in inaccurate findings. Rescoring all models from HELM, a widely respected living benchmark, for toxicity with the recent version of the API led to a different ranking of widely used foundation models. We suggest caution in applying apples-to-apples comparisons between studies and lay recommendations for a more structured approach to evaluating toxicity over time. Code and data are available at https://github.com/for-ai/black-box-api-challenges.

Deep learning methods are widely regarded as indispensable when it comes to designing perception pipelines for autonomous agents such as robots, drones or automated vehicles. The main reasons, however, for deep learning not being used for autonomous agents at large scale already are safety concerns. Deep learning approaches typically exhibit a black-box behavior which makes it hard for them to be evaluated with respect to safety-critical aspects. While there have been some work on safety in deep learning, most papers typically focus on high-level safety concerns. In this work, we seek to dive into the safety concerns of deep learning methods and present a concise enumeration on a deeply technical level. Additionally, we present extensive discussions on possible mitigation methods and give an outlook regarding what mitigation methods are still missing in order to facilitate an argumentation for the safety of a deep learning method.

Explainable Artificial Intelligence (XAI) has in recent years become a well-suited framework to generate human understandable explanations of "black-box" models. In this paper, a novel XAI visual explanation algorithm known as the Similarity Difference and Uniqueness (SIDU) method that can effectively localize entire object regions responsible for prediction is presented in full detail. The SIDU algorithm robustness and effectiveness is analyzed through various computational and human subject experiments. In particular, the SIDU algorithm is assessed using three different types of evaluations (Application, Human and Functionally-Grounded) to demonstrate its superior performance. The robustness of SIDU is further studied in the presence of adversarial attack on "black-box" models to better understand its performance. Our code is available at: https://github.com/satyamahesh84/SIDU_XAI_CODE.

Semantic segmentation is a fundamental visual task that finds extensive deployment in applications with security-sensitive considerations. Nonetheless, recent work illustrates the adversarial vulnerability of semantic segmentation models to white-box attacks. However, its adversarial robustness against black-box attacks has not been fully explored. In this paper, we present the first exploration of black-box decision-based attacks on semantic segmentation. First, we analyze the challenges that semantic segmentation brings to decision-based attacks through the case study. Then, to address these challenges, we first propose a decision-based attack on semantic segmentation, called Discrete Linear Attack (DLA). Based on random search and proxy index, we utilize the discrete linear noises for perturbation exploration and calibration to achieve efficient attack efficiency. We conduct adversarial robustness evaluation on 5 models from Cityscapes and ADE20K under 8 attacks. DLA shows its formidable power on Cityscapes by dramatically reducing PSPNet's mIoU from an impressive 77.83% to a mere 2.14% with just 50 queries.

Recent AI algorithms are blackbox models whose decisions are difficult to interpret. eXplainable AI (XAI) seeks to address lack of AI interpretability and trust by explaining to customers their AI decision, e.g., decision to reject a loan application. The common wisdom is that regulating AI by mandating fully transparent XAI leads to greater social welfare. This paper challenges this notion through a game theoretic model for a policy-maker who maximizes social welfare, firms in a duopoly competition that maximize profits, and heterogenous consumers. The results show that XAI regulation may be redundant. In fact, mandating fully transparent XAI may make firms and customers worse off. This reveals a trade-off between maximizing welfare and receiving explainable AI outputs. We also discuss managerial implications for policy-maker and firms.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

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.

Modern image-to-text systems typically adopt the encoder-decoder framework, which comprises two main components: an image encoder, responsible for extracting image features, and a transformer-based decoder, used for generating captions. Taking inspiration from the analysis of neural networks' robustness against adversarial perturbations, we propose a novel gray-box algorithm for creating adversarial examples in image-to-text models. Unlike image classification tasks that have a finite set of class labels, finding visually similar adversarial examples in an image-to-text task poses greater challenges because the captioning system allows for a virtually infinite space of possible captions. In this paper, we present a gray-box adversarial attack on image-to-text, both untargeted and targeted. We formulate the process of discovering adversarial perturbations as an optimization problem that uses only the image-encoder component, meaning the proposed attack is language-model agnostic. Through experiments conducted on the ViT-GPT2 model, which is the most-used image-to-text model in Hugging Face, and the Flickr30k dataset, we demonstrate that our proposed attack successfully generates visually similar adversarial examples, both with untargeted and targeted captions. Notably, our attack operates in a gray-box manner, requiring no knowledge about the decoder module. We also show that our attacks fool the popular open-source platform Hugging Face.

Web-scraped datasets are vulnerable to data poisoning, which can be used for backdooring deep image classifiers during training. Since training on large datasets is expensive, a model is trained once and re-used many times. Unlike adversarial examples, backdoor attacks often target specific classes rather than any class learned by the model. One might expect that targeting many classes through a naive composition of attacks vastly increases the number of poison samples. We show this is not necessarily true and more efficient, universal data poisoning attacks exist that allow controlling misclassifications from any source class into any target class with a small increase in poison samples. Our idea is to generate triggers with salient characteristics that the model can learn. The triggers we craft exploit a phenomenon we call inter-class poison transferability, where learning a trigger from one class makes the model more vulnerable to learning triggers for other classes. We demonstrate the effectiveness and robustness of our universal backdoor attacks by controlling models with up to 6,000 classes while poisoning only 0.15% of the training dataset. Our source code is available at https://github.com/Ben-Schneider-code/Universal-Backdoor-Attacks.

Visual object tracking (VOT) has been widely adopted in mission-critical applications, such as autonomous driving and intelligent surveillance systems. In current practice, third-party resources such as datasets, backbone networks, and training platforms are frequently used to train high-performance VOT models. Whilst these resources bring certain convenience, they also introduce new security threats into VOT models. In this paper, we reveal such a threat where an adversary can easily implant hidden backdoors into VOT models by tempering with the training process. Specifically, we propose a simple yet effective few-shot backdoor attack (FSBA) that optimizes two losses alternately: 1) a feature loss defined in the hidden feature space, and 2) the standard tracking loss. We show that, once the backdoor is embedded into the target model by our FSBA, it can trick the model to lose track of specific objects even when the trigger only appears in one or a few frames. We examine our attack in both digital and physical-world settings and show that it can significantly degrade the performance of state-of-the-art VOT trackers. We also show that our attack is resistant to potential defenses, highlighting the vulnerability of VOT models to potential backdoor attacks.

AI led chess systems to a superhuman level, yet these systems heavily rely on black-box algorithms. This is unsustainable in ensuring transparency to the end-user, particularly when these systems are responsible for sensitive decision-making. Recent interpretability work has shown that the inner representations of Deep Neural Networks (DNNs) were fathomable and contained human-understandable concepts. Yet, these methods are seldom contextualised and are often based on a single hidden state, which makes them unable to interpret multi-step reasoning, e.g. planning. In this respect, we propose contrastive sparse autoencoders (CSAE), a novel framework for studying pairs of game trajectories. Using CSAE, we are able to extract and interpret concepts that are meaningful to the chess-agent plans. We primarily focused on a qualitative analysis of the CSAE features before proposing an automated feature taxonomy. Furthermore, to evaluate the quality of our trained CSAE, we devise sanity checks to wave spurious correlations in our results.

The black-box nature of deep neural networks (DNN) has brought to attention the issues of transparency and fairness. Deep Reinforcement Learning (Deep RL or DRL), which uses DNN to learn its policy, value functions etc, is thus also subject to similar concerns. This paper proposes a way to circumvent the issues through the bottom-up design of neural networks with detailed interpretability, where each neuron or layer has its own meaning and utility that corresponds to humanly understandable concept. The framework introduced in this paper is called the Self Reward Design (SRD), inspired by the Inverse Reward Design, and this interpretable design can (1) solve the problem by pure design (although imperfectly) and (2) be optimized like a standard DNN. With deliberate human designs, we show that some RL problems such as lavaland and MuJoCo can be solved using a model constructed with standard NN components with few parameters. Furthermore, with our fish sale auction example, we demonstrate how SRD is used to address situations that will not make sense if black-box models are used, where humanly-understandable semantic-based decision is required.

It is becoming increasingly clear that many machine learning classifiers are vulnerable to adversarial examples. In attempting to explain the origin of adversarial examples, previous studies have typically focused on the fact that neural networks operate on high dimensional data, they overfit, or they are too linear. Here we argue that the origin of adversarial examples is primarily due to an inherent uncertainty that neural networks have about their predictions. We show that the functional form of this uncertainty is independent of architecture, dataset, and training protocol; and depends only on the statistics of the logit differences of the network, which do not change significantly during training. This leads to adversarial error having a universal scaling, as a power-law, with respect to the size of the adversarial perturbation. We show that this universality holds for a broad range of datasets (MNIST, CIFAR10, ImageNet, and random data), models (including state-of-the-art deep networks, linear models, adversarially trained networks, and networks trained on randomly shuffled labels), and attacks (FGSM, step l.l., PGD). Motivated by these results, we study the effects of reducing prediction entropy on adversarial robustness. Finally, we study the effect of network architectures on adversarial sensitivity. To do this, we use neural architecture search with reinforcement learning to find adversarially robust architectures on CIFAR10. Our resulting architecture is more robust to white and black box attacks compared to previous attempts.

Interpretability and explainability have gained more and more attention in the field of machine learning as they are crucial when it comes to high-stakes decisions and troubleshooting. Since both provide information about predictors and their decision process, they are often seen as two independent means for one single end. This view has led to a dichotomous literature: explainability techniques designed for complex black-box models, or interpretable approaches ignoring the many explainability tools. In this position paper, we challenge the common idea that interpretability and explainability are substitutes for one another by listing their principal shortcomings and discussing how both of them mitigate the drawbacks of the other. In doing so, we call for a new perspective on interpretability and explainability, and works targeting both topics simultaneously, leveraging each of their respective assets.

The proliferation of Large Language Models (LLMs) accessed via black-box APIs introduces a significant trust challenge: users pay for services based on advertised model capabilities (e.g., size, performance), but providers may covertly substitute the specified model with a cheaper, lower-quality alternative to reduce operational costs. This lack of transparency undermines fairness, erodes trust, and complicates reliable benchmarking. Detecting such substitutions is difficult due to the black-box nature, typically limiting interaction to input-output queries. This paper formalizes the problem of model substitution detection in LLM APIs. We systematically evaluate existing verification techniques, including output-based statistical tests, benchmark evaluations, and log probability analysis, under various realistic attack scenarios like model quantization, randomized substitution, and benchmark evasion. Our findings reveal the limitations of methods relying solely on text outputs, especially against subtle or adaptive attacks. While log probability analysis offers stronger guarantees when available, its accessibility is often limited. We conclude by discussing the potential of hardware-based solutions like Trusted Execution Environments (TEEs) as a pathway towards provable model integrity, highlighting the trade-offs between security, performance, and provider adoption. Code is available at https://github.com/sunblaze-ucb/llm-api-audit