Tsui-Wei Weng

Tuomas Oikarinen, Subhro Das, Lam M. Nguyen et al.

Concept bottleneck models (CBM) are a popular way of creating more interpretable neural networks by having hidden layer neurons correspond to human-understandable concepts. However, existing CBMs and their variants have two crucial limitations: first, they need to collect labeled data for each of the predefined concepts, which is time consuming and labor intensive; second, the accuracy of a CBM is often significantly lower than that of a standard neural network, especially on more complex datasets. This poor performance creates a barrier for adopting CBMs in practical real world applications. Motivated by these challenges, we propose Label-free CBM which is a novel framework to transform any neural network into an interpretable CBM without labeled concept data, while retaining a high accuracy. Our Label-free CBM has many advantages, it is: scalable - we present the first CBM scaled to ImageNet, efficient - creating a CBM takes only a few hours even for very large datasets, and automated - training it for a new dataset requires minimal human effort. Our code is available at https://github.com/Trustworthy-ML-Lab/Label-free-CBM. Finally, in Appendix B we conduct a large scale user evaluation of the interpretability of our method.

Tuomas Oikarinen, Tsui-Wei Weng

In this paper, we propose CLIP-Dissect, a new technique to automatically describe the function of individual hidden neurons inside vision networks. CLIP-Dissect leverages recent advances in multimodal vision/language models to label internal neurons with open-ended concepts without the need for any labeled data or human examples. We show that CLIP-Dissect provides more accurate descriptions than existing methods for last layer neurons where the ground-truth is available as well as qualitatively good descriptions for hidden layer neurons. In addition, our method is very flexible: it is model agnostic, can easily handle new concepts and can be extended to take advantage of better multimodal models in the future. Finally CLIP-Dissect is computationally efficient and can label all neurons from five layers of ResNet-50 in just 4 minutes, which is more than 10 times faster than existing methods. Our code is available at https://github.com/Trustworthy-ML-Lab/CLIP-dissect. Finally, crowdsourced user study results are available at Appendix B to further support the effectiveness of our method.

Ligong Han, Seungwook Han, Shivchander Sudalairaj et al.

Transformations based on domain expertise (expert transformations), such as random-resized-crop and color-jitter, have proven critical to the success of contrastive learning techniques such as SimCLR. Recently, several attempts have been made to replace such domain-specific, human-designed transformations with generated views that are learned. However for imagery data, so far none of these view-generation methods has been able to outperform expert transformations. In this work, we tackle a different question: instead of replacing expert transformations with generated views, can we constructively assimilate generated views with expert transformations? We answer this question in the affirmative and propose a view generation method and a simple, effective assimilation method that together improve the state-of-the-art by up to ~3.6% on three different datasets. Importantly, we conduct a detailed empirical study that systematically analyzes a range of view generation and assimilation methods and provides a holistic picture of the efficacy of learned views in contrastive representation learning.

Wang Zhang, Tsui-Wei Weng, Subhro Das et al. · ibm-research

Deep neural networks (DNN) have shown great capacity of modeling a dynamical system; nevertheless, they usually do not obey physics constraints such as conservation laws. This paper proposes a new learning framework named ConCerNet to improve the trustworthiness of the DNN based dynamics modeling to endow the invariant properties. ConCerNet consists of two steps: (i) a contrastive learning method to automatically capture the system invariants (i.e. conservation properties) along the trajectory observations; (ii) a neural projection layer to guarantee that the learned dynamics models preserve the learned invariants. We theoretically prove the functional relationship between the learned latent representation and the unknown system invariant function. Experiments show that our method consistently outperforms the baseline neural networks in both coordinate error and conservation metrics by a large margin. With neural network based parameterization and no dependence on prior knowledge, our method can be extended to complex and large-scale dynamics by leveraging an autoencoder.

Divyansh Srivastava, Ge Yan, Tsui-Wei Weng

Concept Bottleneck Models (CBMs) provide interpretable prediction by introducing an intermediate Concept Bottleneck Layer (CBL), which encodes human-understandable concepts to explain models' decision. Recent works proposed to utilize Large Language Models and pre-trained Vision-Language Models to automate the training of CBMs, making it more scalable and automated. However, existing approaches still fall short in two aspects: First, the concepts predicted by CBL often mismatch the input image, raising doubts about the faithfulness of interpretation. Second, it has been shown that concept values encode unintended information: even a set of random concepts could achieve comparable test accuracy to state-of-the-art CBMs. To address these critical limitations, in this work, we propose a novel framework called Vision-Language-Guided Concept Bottleneck Model (VLG-CBM) to enable faithful interpretability with the benefits of boosted performance. Our method leverages off-the-shelf open-domain grounded object detectors to provide visually grounded concept annotation, which largely enhances the faithfulness of concept prediction while further improving the model performance. In addition, we propose a new metric called Number of Effective Concepts (NEC) to control the information leakage and provide better interpretability. Extensive evaluations across five standard benchmarks show that our method, VLG-CBM, outperforms existing methods by at least 4.27% and up to 51.09% on Accuracy at NEC=5 (denoted as ANEC-5), and by at least 0.45% and up to 29.78% on average accuracy (denoted as ANEC-avg), while preserving both faithfulness and interpretability of the learned concepts as demonstrated in extensive experiments.

Alex Gu, Tsui-Wei Weng, Pin-Yu Chen et al.

Interpreting machine learning models is challenging but crucial for ensuring the safety of deep networks in autonomous driving systems. Due to the prevalence of deep learning based perception models in autonomous vehicles, accurately interpreting their predictions is crucial. While a variety of such methods have been proposed, most are shown to lack robustness. Yet, little has been done to provide certificates for interpretability robustness. Taking a step in this direction, we present CORGI, short for Certifiably prOvable Robustness Guarantees for Interpretability mapping. CORGI is an algorithm that takes in an input image and gives a certifiable lower bound for the robustness of the top k pixels of its CAM interpretability map. We show the effectiveness of CORGI via a case study on traffic sign data, certifying lower bounds on the minimum adversarial perturbation not far from (4-5x) state-of-the-art attack methods.

Justin Lee, Tuomas Oikarinen, Arjun Chatha et al.

Recent advances have greatly increased the capabilities of large language models (LLMs), but our understanding of the models and their safety has not progressed as fast. In this paper we aim to understand LLMs deeper by studying their individual neurons. We build upon previous work showing large language models such as GPT-4 can be useful in explaining what each neuron in a language model does. Specifically, we analyze the effect of the prompt used to generate explanations and show that reformatting the explanation prompt in a more natural way can significantly improve neuron explanation quality and greatly reduce computational cost. We demonstrate the effects of our new prompts in three different ways, incorporating both automated and human evaluations.

Chung-En Sun, Tuomas Oikarinen, Tsui-Wei Weng

We introduce the Concept Bottleneck Large Language Model (CB-LLM), a pioneering approach to creating inherently interpretable Large Language Models (LLMs). Unlike traditional black-box LLMs that rely on post-hoc interpretation methods with limited neuron function insights, CB-LLM sets a new standard with its built-in interpretability, scalability, and ability to provide clear, accurate explanations. This innovation not only advances transparency in language models but also enhances their effectiveness. Our unique Automatic Concept Correction (ACC) strategy successfully narrows the performance gap with conventional black-box LLMs, positioning CB-LLM as a model that combines the high accuracy of traditional LLMs with the added benefit of clear interpretability -- a feature markedly absent in existing LLMs.

Avni Kothari, Bogdan Kulynych, Tsui-Wei Weng et al.

Machine learning models are often used to decide who receives a loan, a job interview, or a public benefit. Models in such settings use features without considering their actionability. As a result, they can assign predictions that are fixed $-$ meaning that individuals who are denied loans and interviews are, in fact, precluded from access to credit and employment. In this work, we introduce a procedure called recourse verification to test if a model assigns fixed predictions to its decision subjects. We propose a model-agnostic approach for recourse verification with reachable sets $-$ i.e., the set of all points that a person can reach through their actions in feature space. We develop methods to construct reachable sets for discrete feature spaces, which can certify the responsiveness of any model by simply querying its predictions. We conduct a comprehensive empirical study on the infeasibility of recourse on datasets from consumer finance. Our results highlight how models can inadvertently preclude access by assigning fixed predictions and underscore the need to account for actionability in model development.

Chester Holtz, Tsui-Wei Weng, Gal Mishne

There has been great interest in enhancing the robustness of neural network classifiers to defend against adversarial perturbations through adversarial training, while balancing the trade-off between robust accuracy and standard accuracy. We propose a novel adversarial training framework that learns to reweight the loss associated with individual training samples based on a notion of class-conditioned margin, with the goal of improving robust generalization. We formulate weighted adversarial training as a bilevel optimization problem with the upper-level problem corresponding to learning a robust classifier, and the lower-level problem corresponding to learning a parametric function that maps from a sample's \textit{multi-class margin} to an importance weight. Extensive experiments demonstrate that our approach consistently improves both clean and robust accuracy compared to related methods and state-of-the-art baselines.

Zheng Zhang, Tsui-Wei Weng, Luca Daniel

Fabrication process variations are a major source of yield degradation in the nano-scale design of integrated circuits (IC), microelectromechanical systems (MEMS) and photonic circuits. Stochastic spectral methods are a promising technique to quantify the uncertainties caused by process variations. Despite their superior efficiency over Monte Carlo for many design cases, these algorithms suffer from the curse of dimensionality; i.e., their computational cost grows very fast as the number of random parameters increases. In order to solve this challenging problem, this paper presents a high-dimensional uncertainty quantification algorithm from a big-data perspective. Specifically, we show that the huge number of (e.g., $1.5 \times 10^{27}$) simulation samples in standard stochastic collocation can be reduced to a very small one (e.g., $500$) by exploiting some hidden structures of a high-dimensional data array. This idea is formulated as a tensor recovery problem with sparse and low-rank constraints; and it is solved with an alternating minimization approach. Numerical results show that our approach can simulate efficiently some ICs, as well as MEMS and photonic problems with over 50 independent random parameters, whereas the traditional algorithm can only handle several random parameters.

Akshay Kulkarni, Tsui-Wei Weng

We propose a novel and low-cost test-time adversarial defense by devising interpretability-guided neuron importance ranking methods to identify neurons important to the output classes. Our method is a training-free approach that can significantly improve the robustness-accuracy tradeoff while incurring minimal computational overhead. While being among the most efficient test-time defenses (4x faster), our method is also robust to a wide range of black-box, white-box, and adaptive attacks that break previous test-time defenses. We demonstrate the efficacy of our method for CIFAR10, CIFAR100, and ImageNet-1k on the standard RobustBench benchmark (with average gains of 2.6%, 4.9%, and 2.8% respectively). We also show improvements (average 1.5%) over the state-of-the-art test-time defenses even under strong adaptive attacks.

Divyansh Srivastava, Tuomas Oikarinen, Tsui-Wei Weng

The inability of DNNs to explain their black-box behavior has led to a recent surge of explainability methods. However, there are growing concerns that these explainability methods are not robust and trustworthy. In this work, we perform the first robustness analysis of Neuron Explanation Methods under a unified pipeline and show that these explanations can be significantly corrupted by random noises and well-designed perturbations added to their probing data. We find that even adding small random noise with a standard deviation of 0.02 can already change the assigned concepts of up to 28% neurons in the deeper layers. Furthermore, we devise a novel corruption algorithm and show that our algorithm can manipulate the explanation of more than 80% neurons by poisoning less than 10% of probing data. This raises the concern of trusting Neuron Explanation Methods in real-life safety and fairness critical applications.

Mohammad Ali Khan, Tuomas Oikarinen, Tsui-Wei Weng

In this work, we propose a general framework called Concept-Monitor to help demystify the black-box DNN training processes automatically using a novel unified embedding space and concept diversity metric. Concept-Monitor enables human-interpretable visualization and indicators of the DNN training processes and facilitates transparency as well as deeper understanding on how DNNs develop along the during training. Inspired by these findings, we also propose a new training regularizer that incentivizes hidden neurons to learn diverse concepts, which we show to improve training performance. Finally, we apply Concept-Monitor to conduct several case studies on different training paradigms including adversarial training, fine-tuning and network pruning via the Lottery Ticket Hypothesis

Akshay Kulkarni, Tsui-Wei Weng, Vivek Narayanaswamy et al.

Sparse autoencoders (SAEs) promise a unified approach for mechanistic interpretability, concept discovery, and model steering in LLMs and LVLMs. However, realizing this potential requires that the learned features be both interpretable and steerable. To that end, we introduce two new computationally inexpensive interpretability and steerability metrics and conduct a systematic analysis on LVLMs. Our analysis uncovers two observations; (i) a majority of SAE neurons exhibit either low interpretability or low steerability or both, rendering them ineffective for downstream use; and (ii) due to the unsupervised nature of SAEs, user-desired concepts are often absent in the learned dictionary, thus limiting their practical utility. To address these limitations, we propose Concept Bottleneck Sparse Autoencoders (CB-SAE) - a novel post-hoc framework that prunes low-utility neurons and augments the latent space with a lightweight concept bottleneck aligned to a user-defined concept set. The resulting CB-SAE improves interpretability by +32.1% and steerability by +14.5% across LVLMs and image generation tasks. We will make our code and model weights available.

Zimo Wang, Ishit Mehta, Haolin Lu et al.

Time-unconditional generative models learn time-independent denoising vector fields. But without time conditioning, the same noisy input may correspond to multiple noise levels and different denoising directions, which interferes with the supervision signal. Inspired by distance field modeling, we propose Distance Marching, a new time-unconditional approach with two principled inference methods. Crucially, we design losses that focus on closer targets. This yields denoising directions better directed toward the data manifold. Across architectures, Distance Marching consistently improves FID by 13.5% on CIFAR-10 and ImageNet over recent time-unconditional baselines. For class-conditional ImageNet generation, despite removing time input, Distance Marching surpasses flow matching using our losses and inference methods. It achieves lower FID than flow matching's final performance using 60% of the sampling steps and 13.6% lower FID on average across backbone sizes. Moreover, our distance prediction is also helpful for early stopping during sampling and for OOD detection. We hope distance field modeling can serve as a principled lens for generative modeling.

Linbo Liu, Trong Nghia Hoang, Lam M. Nguyen et al.

Randomized smoothing has recently attracted attentions in the field of adversarial robustness to provide provable robustness guarantees on smoothed neural network classifiers. However, existing works show that vanilla randomized smoothing usually does not provide good robustness performance and often requires (re)training techniques on the base classifier in order to boost the robustness of the resulting smoothed classifier. In this work, we propose two cost-effective approaches to boost the robustness of randomized smoothing while preserving its clean performance. The first approach introduces a new robust training method AdvMacerwhich combines adversarial training and robustness certification maximization for randomized smoothing. We show that AdvMacer can improve the robustness performance of randomized smoothing classifiers compared to SOTA baselines, while being 3x faster to train than MACER baseline. The second approach introduces a post-processing method EsbRS which greatly improves the robustness certificate based on building model ensembles. We explore different aspects of model ensembles that has not been studied by prior works and propose a novel design methodology to further improve robustness of the ensemble based on our theoretical analysis.

Ge Yan, Yaniv Romano, Tsui-Wei Weng

Conformal prediction is a powerful tool to generate uncertainty sets with guaranteed coverage using any predictive model, under the assumption that the training and test data are i.i.d.. Recently, it has been shown that adversarial examples are able to manipulate conformal methods to construct prediction sets with invalid coverage rates, as the i.i.d. assumption is violated. To address this issue, a recent work, Randomized Smoothed Conformal Prediction (RSCP), was first proposed to certify the robustness of conformal prediction methods to adversarial noise. However, RSCP has two major limitations: (i) its robustness guarantee is flawed when used in practice and (ii) it tends to produce large uncertainty sets. To address these limitations, we first propose a novel framework called RSCP+ to provide provable robustness guarantee in evaluation, which fixes the issues in the original RSCP method. Next, we propose two novel methods, Post-Training Transformation (PTT) and Robust Conformal Training (RCT), to effectively reduce prediction set size with little computation overhead. Experimental results in CIFAR10, CIFAR100, and ImageNet suggest the baseline method only yields trivial predictions including full label set, while our methods could boost the efficiency by up to $4.36\times$, $5.46\times$, and $16.9\times$ respectively and provide practical robustness guarantee. Our codes are available at https://github.com/Trustworthy-ML-Lab/Provably-Robust-Conformal-Prediction.

Chung-En Sun, Tuomas Oikarinen, Berk Ustun et al.

We introduce Concept Bottleneck Large Language Models (CB-LLMs), a novel framework for building inherently interpretable Large Language Models (LLMs). In contrast to traditional black-box LLMs that rely on limited post-hoc interpretations, CB-LLMs integrate intrinsic interpretability directly into the LLMs -- allowing accurate explanations with scalability and transparency. We build CB-LLMs for two essential NLP tasks: text classification and text generation. In text classification, CB-LLMs is competitive with, and at times outperforms, traditional black-box models while providing explicit and interpretable reasoning. For the more challenging task of text generation, interpretable neurons in CB-LLMs enable precise concept detection, controlled generation, and safer outputs. The embedded interpretability empowers users to transparently identify harmful content, steer model behavior, and unlearn undesired concepts -- significantly enhancing the safety, reliability, and trustworthiness of LLMs, which are critical capabilities notably absent in existing models. Our code is available at https://github.com/Trustworthy-ML-Lab/CB-LLMs.

Chung-En Sun, Ge Yan, Tsui-Wei Weng

Recent studies have shown that Large Language Models (LLMs) augmented with chain-of-thought (CoT) reasoning demonstrate impressive problem-solving abilities. However, in this work, we identify a recurring issue where these models occasionally generate overly short reasoning, leading to degraded performance on even simple mathematical problems. Specifically, we investigate how reasoning length is embedded in the hidden representations of reasoning models and its impact on accuracy. Our analysis reveals that reasoning length is governed by a linear direction in the representation space, allowing us to induce overly short reasoning by steering the model along this direction. Building on this insight, we introduce ThinkEdit, a simple yet effective weight-editing approach to mitigate the issue of overly short reasoning. We first identify a small subset of attention heads (approximately 4%) that predominantly drive short reasoning behavior. We then edit the output projection weights of these heads to remove the short reasoning direction. With changes to only 0.2% of the model's parameters, ThinkEdit effectively reduces overly short reasoning and yields notable accuracy gains for short reasoning outputs (+6.39%), along with an overall improvement across multiple math benchmarks (+3.34%). Our findings provide new mechanistic insights into how reasoning length is controlled within LLMs and highlight the potential of fine-grained model interventions to improve reasoning quality. Our code is available at: https://github.com/Trustworthy-ML-Lab/ThinkEdit

Yunshi Wen, Tengfei Ma, Tsui-Wei Weng et al.

In time-series analysis, many recent works seek to provide a unified view and representation for time-series across multiple domains, leading to the development of foundation models for time-series data. Despite diverse modeling techniques, existing models are black boxes and fail to provide insights and explanations about their representations. In this paper, we present VQShape, a pre-trained, generalizable, and interpretable model for time-series representation learning and classification. By introducing a novel representation for time-series data, we forge a connection between the latent space of VQShape and shape-level features. Using vector quantization, we show that time-series from different domains can be described using a unified set of low-dimensional codes, where each code can be represented as an abstracted shape in the time domain. On classification tasks, we show that the representations of VQShape can be utilized to build interpretable classifiers, achieving comparable performance to specialist models. Additionally, in zero-shot learning, VQShape and its codebook can generalize to previously unseen datasets and domains that are not included in the pre-training process. The code and pre-trained weights are available at https://github.com/YunshiWen/VQShape.

Chung-En Sun, Ge Yan, Akshay Kulkarni et al.

Recent advances in long chain-of-thought (CoT) reasoning have largely prioritized answer accuracy and token efficiency, while overlooking aspects critical to trustworthiness. We argue that usable reasoning systems must be trustworthy, characterized by three properties: interpretability, faithfulness, and reliability. To this end, we propose ReFIne, a new training framework that integrates supervised fine-tuning with GRPO to encourage models to: (i) improve interpretability by producing structured, tag-based traces with high-level planning that are easier for humans to follow; (ii) enhance faithfulness by explicitly disclosing the decisive information guiding each solution, with consistent cross-section references; and (iii) promote reliability by providing self-assessments of both the derivation's soundness and the confidence of the final answer. We apply ReFIne to the Qwen3 models at multiple scales (1.7B/4B/8B) and evaluate across mathematical benchmarks of varying difficulty. Our experimental results show that ReFIne models generate clearer and better-structured reasoning traces (interpretability +44.0%), more faithfully expose their underlying decision process (faithfulness +18.8%), and offer informative confidence estimates (reliability +42.4%). These findings highlight an overlooked but important direction: reasoning models should be optimized not only for accuracy, but also for broader dimensions of trustworthiness. Our code is available at: https://github.com/Trustworthy-ML-Lab/Training_Trustworthy_LRM_with_Refine

Yilan Chen, Wei Huang, Lam M. Nguyen et al.

Recent research shows that the dynamics of an infinitely wide neural network (NN) trained by gradient descent can be characterized by Neural Tangent Kernel (NTK) \citep{jacot2018neural}. Under the squared loss, the infinite-width NN trained by gradient descent with an infinitely small learning rate is equivalent to kernel regression with NTK \citep{arora2019exact}. However, the equivalence is only known for ridge regression currently \citep{arora2019harnessing}, while the equivalence between NN and other kernel machines (KMs), e.g. support vector machine (SVM), remains unknown. Therefore, in this work, we propose to establish the equivalence between NN and SVM, and specifically, the infinitely wide NN trained by soft margin loss and the standard soft margin SVM with NTK trained by subgradient descent. Our main theoretical results include establishing the equivalences between NNs and a broad family of $\ell_2$ regularized KMs with finite-width bounds, which cannot be handled by prior work, and showing that every finite-width NN trained by such regularized loss functions is approximately a KM. Furthermore, we demonstrate our theory can enable three practical applications, including (i) \textit{non-vacuous} generalization bound of NN via the corresponding KM; (ii) \textit{non-trivial} robustness certificate for the infinite-width NN (while existing robustness verification methods would provide vacuous bounds); (iii) intrinsically more robust infinite-width NNs than those from previous kernel regression. Our code for the experiments is available at \url{https://github.com/leslie-CH/equiv-nn-svm}.

Tuomas Oikarinen, Tsui-Wei Weng

In recent years many methods have been developed to understand the internal workings of neural networks, often by describing the function of individual neurons in the model. However, these methods typically only focus on explaining the very highest activations of a neuron. In this paper we show this is not sufficient, and that the highest activation range is only responsible for a very small percentage of the neuron's causal effect. In addition, inputs causing lower activations are often very different and can't be reliably predicted by only looking at high activations. We propose that neurons should instead be understood as a linear combination of concepts, and develop an efficient method for producing these linear explanations. In addition, we show how to automatically evaluate description quality using simulation, i.e. predicting neuron activations on unseen inputs in vision setting.

Wang Zhang, Ziwen Ma, Subhro Das et al.

Neural networks are powerful tools in various applications, and quantifying their uncertainty is crucial for reliable decision-making. In the deep learning field, the uncertainties are usually categorized into aleatoric (data) and epistemic (model) uncertainty. In this paper, we point out that the existing popular variance attenuation method highly overestimates aleatoric uncertainty. To address this issue, we propose a new estimation method by actively de-noising the observed data. By conducting a broad range of experiments, we demonstrate that our proposed approach provides a much closer approximation to the actual data uncertainty than the standard method.

Pei-Yau Weng, Minh Hoang, Lam M. Nguyen et al.

Fine-tuning pre-trained models is a popular approach in machine learning for solving complex tasks with moderate data. However, fine-tuning the entire pre-trained model is ineffective in federated data scenarios where local data distributions are diversely skewed. To address this, we explore integrating federated learning with a more effective prompt-tuning method, optimizing for a small set of input prefixes to reprogram the pre-trained model's behavior. Our approach transforms federated learning into a distributed set modeling task, aggregating diverse sets of prompts to globally fine-tune the pre-trained model. We benchmark various baselines based on direct adaptations of existing federated model aggregation techniques and introduce a new probabilistic prompt aggregation method that substantially outperforms these baselines. Our reported results on a variety of computer vision datasets confirm that the proposed method is most effective to combat extreme data heterogeneity in federated learning.

Haotian Xu, Tsui-Wei Weng, Lam M. Nguyen et al.

Concept Bottleneck Models (CBMs) provide explicit interpretations for deep neural networks through concepts and allow intervention with concepts to adjust final predictions. Existing CBMs assume concepts are conditionally independent given labels and isolated from each other, ignoring the hidden relationships among concepts. However, the set of concepts in CBMs often has an intrinsic structure where concepts are generally correlated: changing one concept will inherently impact its related concepts. To mitigate this limitation, we propose GraphCBMs: a new variant of CBM that facilitates concept relationships by constructing latent concept graphs, which can be combined with CBMs to enhance model performance while retaining their interpretability. Our experiment results on real-world image classification tasks demonstrate Graph CBMs offer the following benefits: (1) superior in image classification tasks while providing more concept structure information for interpretability; (2) able to utilize latent concept graphs for more effective interventions; and (3) robust in performance across different training and architecture settings.

Tuomas Oikarinen, Ge Yan, Akshay Kulkarni et al.

Interpreting individual neurons or directions in activations space is an important component of mechanistic interpretability. As such, many algorithms have been proposed to automatically produce neuron explanations, but it is often not clear how reliable these explanations are, or which methods produce the best explanations. This can be measured via crowd-sourced evaluations, but they can often be noisy and expensive, leading to unreliable results. In this paper, we carefully analyze the evaluation pipeline and develop a cost-effective and highly accurate crowdsourced evaluation strategy. In contrast to previous human studies that only rate whether the explanation matches the most highly activating inputs, we estimate whether the explanation describes neuron activations across all inputs. To estimate this effectively, we introduce a novel application of importance sampling to determine which inputs are the most valuable to show to raters, leading to around 30x cost reduction compared to uniform sampling. We also analyze the label noise present in crowd-sourced evaluations and propose a Bayesian method to aggregate multiple ratings leading to a further ~5x reduction in number of ratings required for the same accuracy. Finally, we use these methods to conduct a large-scale study comparing the quality of neuron explanations produced by the most popular methods for two different vision models.

Connor Lawless, Tsui-Wei Weng, Berk Ustun et al.

Machine learning models can assign fixed predictions that preclude individuals from changing their outcome. Existing approaches to audit fixed predictions do so on a pointwise basis, which requires access to an existing dataset of individuals and may fail to anticipate fixed predictions in out-of-sample data. This work presents a new paradigm to identify fixed predictions by finding confined regions of the feature space in which all individuals receive fixed predictions. This paradigm enables the certification of recourse for out-of-sample data, works in settings without representative datasets, and provides interpretable descriptions of individuals with fixed predictions. We develop a fast method to discover confined regions for linear classifiers using mixed-integer quadratically constrained programming. We conduct a comprehensive empirical study of confined regions across diverse applications. Our results highlight that existing pointwise verification methods fail to anticipate future individuals with fixed predictions, while our method both identifies them and provides an interpretable description.

Ge Yan, Tsui-Wei Weng

As deep neural networks(DNN) become increasingly prevalent, particularly in high-stakes areas such as autonomous driving and healthcare, the ability to detect incorrect predictions of models and intervene accordingly becomes crucial for safety. In this work, we investigate the detection of misclassified inputs for image classification models from the lens of adversarial perturbation: we propose to use robust radius (a.k.a. input-space margin) as a confidence metric and design two efficient estimation algorithms, RR-BS and RR-Fast, for misclassification detection. Furthermore, we design a training method called Radius Aware Training (RAT) to boost models' ability to identify mistakes. Extensive experiments show our method could achieve up to 29.3% reduction on AURC and 21.62% reduction in FPR@95TPR, compared with previous methods.

Chung-En Sun, Sicun Gao, Tsui-Wei Weng

Robustness remains a paramount concern in deep reinforcement learning (DRL), with randomized smoothing emerging as a key technique for enhancing this attribute. However, a notable gap exists in the performance of current smoothed DRL agents, often characterized by significantly low clean rewards and weak robustness. In response to this challenge, our study introduces innovative algorithms aimed at training effective smoothed robust DRL agents. We propose S-DQN and S-PPO, novel approaches that demonstrate remarkable improvements in clean rewards, empirical robustness, and robustness guarantee across standard RL benchmarks. Notably, our S-DQN and S-PPO agents not only significantly outperform existing smoothed agents by an average factor of $2.16\times$ under the strongest attack, but also surpass previous robustly-trained agents by an average factor of $2.13\times$. This represents a significant leap forward in the field. Furthermore, we introduce Smoothed Attack, which is $1.89\times$ more effective in decreasing the rewards of smoothed agents than existing adversarial attacks.

Nhan H. Pham, Lam M. Nguyen, Jie Chen et al.

In recent years, a proliferation of methods were developed for cooperative multi-agent reinforcement learning (c-MARL). However, the robustness of c-MARL agents against adversarial attacks has been rarely explored. In this paper, we propose to evaluate the robustness of c-MARL agents via a model-based approach, named c-MBA. Our proposed formulation can craft much stronger adversarial state perturbations of c-MARL agents to lower total team rewards than existing model-free approaches. In addition, we propose the first victim-agent selection strategy and the first data-driven approach to define targeted failure states where each of them allows us to develop even stronger adversarial attack without the expert knowledge to the underlying environment. Our numerical experiments on two representative MARL benchmarks illustrate the advantage of our approach over other baselines: our model-based attack consistently outperforms other baselines in all tested environments.

Ren Wang, Kaidi Xu, Sijia Liu et al.

Model-agnostic meta-learning (MAML) has emerged as one of the most successful meta-learning techniques in few-shot learning. It enables us to learn a meta-initialization} of model parameters (that we call meta-model) to rapidly adapt to new tasks using a small amount of labeled training data. Despite the generalization power of the meta-model, it remains elusive that how adversarial robustness can be maintained by MAML in few-shot learning. In addition to generalization, robustness is also desired for a meta-model to defend adversarial examples (attacks). Toward promoting adversarial robustness in MAML, we first study WHEN a robustness-promoting regularization should be incorporated, given the fact that MAML adopts a bi-level (fine-tuning vs. meta-update) learning procedure. We show that robustifying the meta-update stage is sufficient to make robustness adapted to the task-specific fine-tuning stage even if the latter uses a standard training protocol. We also make additional justification on the acquired robustness adaptation by peering into the interpretability of neurons' activation maps. Furthermore, we investigate HOW robust regularization can efficiently be designed in MAML. We propose a general but easily-optimized robustness-regularized meta-learning framework, which allows the use of unlabeled data augmentation, fast adversarial attack generation, and computationally-light fine-tuning. In particular, we for the first time show that the auxiliary contrastive learning task can enhance the adversarial robustness of MAML. Finally, extensive experiments are conducted to demonstrate the effectiveness of our proposed methods in robust few-shot learning.

Jeet Mohapatra, Ching-Yun Ko, Tsui-Wei Weng et al.

Randomized smoothing is a recently proposed defense against adversarial attacks that has achieved SOTA provable robustness against $\ell_2$ perturbations. A number of publications have extended the guarantees to other metrics, such as $\ell_1$ or $\ell_\infty$, by using different smoothing measures. Although the current framework has been shown to yield near-optimal $\ell_p$ radii, the total safety region certified by the current framework can be arbitrarily small compared to the optimal. In this work, we propose a framework to improve the certified safety region for these smoothed classifiers without changing the underlying smoothing scheme. The theoretical contributions are as follows: 1) We generalize the certification for randomized smoothing by reformulating certified radius calculation as a nested optimization problem over a class of functions. 2) We provide a method to calculate the certified safety region using $0^{th}$-order and $1^{st}$-order information for Gaussian-smoothed classifiers. We also provide a framework that generalizes the calculation for certification using higher-order information. 3) We design efficient, high-confidence estimators for the relevant statistics of the first-order information. Combining the theoretical contribution 2) and 3) allows us to certify safety region that are significantly larger than the ones provided by the current methods. On CIFAR10 and Imagenet datasets, the new regions certified by our approach achieve significant improvements on general $\ell_1$ certified radii and on the $\ell_2$ certified radii for color-space attacks ($\ell_2$ restricted to 1 channel) while also achieving smaller improvements on the general $\ell_2$ certified radii. Our framework can also provide a way to circumvent the current impossibility results on achieving higher magnitude of certified radii without requiring the use of data-dependent smoothing techniques.

Yuh-Shyang Wang, Tsui-Wei Weng, Luca Daniel

Deep neural networks are known to be fragile to small adversarial perturbations. This issue becomes more critical when a neural network is interconnected with a physical system in a closed loop. In this paper, we show how to combine recent works on neural network certification tools (which are mainly used in static settings such as image classification) with robust control theory to certify a neural network policy in a control loop. Specifically, we give a sufficient condition and an algorithm to ensure that the closed loop state and control constraints are satisfied when the persistent adversarial perturbation is l-infinity norm bounded. Our method is based on finding a positively invariant set of the closed loop dynamical system, and thus we do not require the differentiability or the continuity of the neural network policy. Along with the verification result, we also develop an effective attack strategy for neural network control systems that outperforms exhaustive Monte-Carlo search significantly. We show that our certification algorithm works well on learned models and achieves 5 times better result than the traditional Lipschitz-based method to certify the robustness of a neural network policy on a cart pole control problem.

Kaidi Xu, Hongge Chen, Sijia Liu et al.

Graph neural networks (GNNs) which apply the deep neural networks to graph data have achieved significant performance for the task of semi-supervised node classification. However, only few work has addressed the adversarial robustness of GNNs. In this paper, we first present a novel gradient-based attack method that facilitates the difficulty of tackling discrete graph data. When comparing to current adversarial attacks on GNNs, the results show that by only perturbing a small number of edge perturbations, including addition and deletion, our optimization-based attack can lead to a noticeable decrease in classification performance. Moreover, leveraging our gradient-based attack, we propose the first optimization-based adversarial training for GNNs. Our method yields higher robustness against both different gradient based and greedy attack methods without sacrificing classification accuracy on original graph.

Lam M. Nguyen, Marten van Dijk, Dzung T. Phan et al.

The total complexity (measured as the total number of gradient computations) of a stochastic first-order optimization algorithm that finds a first-order stationary point of a finite-sum smooth nonconvex objective function $F(w)=\frac{1}{n} \sum_{i=1}^n f_i(w)$ has been proven to be at least $Ω(\sqrt{n}/ε)$ for $n \leq \mathcal{O}(ε^{-2})$ where $ε$ denotes the attained accuracy $\mathbb{E}[ \|\nabla F(\tilde{w})\|^2] \leq ε$ for the outputted approximation $\tilde{w}$ (Fang et al., 2018). In this paper, we provide a convergence analysis for a slightly modified version of the SARAH algorithm (Nguyen et al., 2017a;b) and achieve total complexity that matches the lower-bound worst case complexity in (Fang et al., 2018) up to a constant factor when $n \leq \mathcal{O}(ε^{-2})$ for nonconvex problems. For convex optimization, we propose SARAH++ with sublinear convergence for general convex and linear convergence for strongly convex problems; and we provide a practical version for which numerical experiments on various datasets show an improved performance.

Tsui-Wei Weng, Pin-Yu Chen, Lam M. Nguyen et al.

With deep neural networks providing state-of-the-art machine learning models for numerous machine learning tasks, quantifying the robustness of these models has become an important area of research. However, most of the research literature merely focuses on the \textit{worst-case} setting where the input of the neural network is perturbed with noises that are constrained within an $\ell_p$ ball; and several algorithms have been proposed to compute certified lower bounds of minimum adversarial distortion based on such worst-case analysis. In this paper, we address these limitations and extend the approach to a \textit{probabilistic} setting where the additive noises can follow a given distributional characterization. We propose a novel probabilistic framework PROVEN to PRObabilistically VErify Neural networks with statistical guarantees -- i.e., PROVEN certifies the probability that the classifier's top-1 prediction cannot be altered under any constrained $\ell_p$ norm perturbation to a given input. Importantly, we show that it is possible to derive closed-form probabilistic certificates based on current state-of-the-art neural network robustness verification frameworks. Hence, the probabilistic certificates provided by PROVEN come naturally and with almost no overhead when obtaining the worst-case certified lower bounds from existing methods such as Fast-Lin, CROWN and CNN-Cert. Experiments on small and large MNIST and CIFAR neural network models demonstrate our probabilistic approach can achieve up to around $75\%$ improvement in the robustness certification with at least a $99.99\%$ confidence compared with the worst-case robustness certificate delivered by CROWN.

Akhilan Boopathy, Tsui-Wei Weng, Pin-Yu Chen et al.

Verifying robustness of neural network classifiers has attracted great interests and attention due to the success of deep neural networks and their unexpected vulnerability to adversarial perturbations. Although finding minimum adversarial distortion of neural networks (with ReLU activations) has been shown to be an NP-complete problem, obtaining a non-trivial lower bound of minimum distortion as a provable robustness guarantee is possible. However, most previous works only focused on simple fully-connected layers (multilayer perceptrons) and were limited to ReLU activations. This motivates us to propose a general and efficient framework, CNN-Cert, that is capable of certifying robustness on general convolutional neural networks. Our framework is general -- we can handle various architectures including convolutional layers, max-pooling layers, batch normalization layer, residual blocks, as well as general activation functions; our approach is efficient -- by exploiting the special structure of convolutional layers, we achieve up to 17 and 11 times of speed-up compared to the state-of-the-art certification algorithms (e.g. Fast-Lin, CROWN) and 366 times of speed-up compared to the dual-LP approach while our algorithm obtains similar or even better verification bounds. In addition, CNN-Cert generalizes state-of-the-art algorithms e.g. Fast-Lin and CROWN. We demonstrate by extensive experiments that our method outperforms state-of-the-art lower-bound-based certification algorithms in terms of both bound quality and speed.

Huan Zhang, Tsui-Wei Weng, Pin-Yu Chen et al.

Finding minimum distortion of adversarial examples and thus certifying robustness in neural network classifiers for given data points is known to be a challenging problem. Nevertheless, recently it has been shown to be possible to give a non-trivial certified lower bound of minimum adversarial distortion, and some recent progress has been made towards this direction by exploiting the piece-wise linear nature of ReLU activations. However, a generic robustness certification for general activation functions still remains largely unexplored. To address this issue, in this paper we introduce CROWN, a general framework to certify robustness of neural networks with general activation functions for given input data points. The novelty in our algorithm consists of bounding a given activation function with linear and quadratic functions, hence allowing it to tackle general activation functions including but not limited to four popular choices: ReLU, tanh, sigmoid and arctan. In addition, we facilitate the search for a tighter certified lower bound by adaptively selecting appropriate surrogates for each neuron activation. Experimental results show that CROWN on ReLU networks can notably improve the certified lower bounds compared to the current state-of-the-art algorithm Fast-Lin, while having comparable computational efficiency. Furthermore, CROWN also demonstrates its effectiveness and flexibility on networks with general activation functions, including tanh, sigmoid and arctan.

Tsui-Wei Weng, Huan Zhang, Pin-Yu Chen et al.

CLEVER (Cross-Lipschitz Extreme Value for nEtwork Robustness) is an Extreme Value Theory (EVT) based robustness score for large-scale deep neural networks (DNNs). In this paper, we propose two extensions on this robustness score. First, we provide a new formal robustness guarantee for classifier functions that are twice differentiable. We apply extreme value theory on the new formal robustness guarantee and the estimated robustness is called second-order CLEVER score. Second, we discuss how to handle gradient masking, a common defensive technique, using CLEVER with Backward Pass Differentiable Approximation (BPDA). With BPDA applied, CLEVER can evaluate the intrinsic robustness of neural networks of a broader class -- networks with non-differentiable input transformations. We demonstrate the effectiveness of CLEVER with BPDA in experiments on a 121-layer Densenet model trained on the ImageNet dataset.

Tsui-Wei Weng, Huan Zhang, Hongge Chen et al.

Verifying the robustness property of a general Rectified Linear Unit (ReLU) network is an NP-complete problem [Katz, Barrett, Dill, Julian and Kochenderfer CAV17]. Although finding the exact minimum adversarial distortion is hard, giving a certified lower bound of the minimum distortion is possible. Current available methods of computing such a bound are either time-consuming or delivering low quality bounds that are too loose to be useful. In this paper, we exploit the special structure of ReLU networks and provide two computationally efficient algorithms Fast-Lin and Fast-Lip that are able to certify non-trivial lower bounds of minimum distortions, by bounding the ReLU units with appropriate linear functions Fast-Lin, or by bounding the local Lipschitz constant Fast-Lip. Experiments show that (1) our proposed methods deliver bounds close to (the gap is 2-3X) exact minimum distortion found by Reluplex in small MNIST networks while our algorithms are more than 10,000 times faster; (2) our methods deliver similar quality of bounds (the gap is within 35% and usually around 10%; sometimes our bounds are even better) for larger networks compared to the methods based on solving linear programming problems but our algorithms are 33-14,000 times faster; (3) our method is capable of solving large MNIST and CIFAR networks up to 7 layers with more than 10,000 neurons within tens of seconds on a single CPU core. In addition, we show that, in fact, there is no polynomial time algorithm that can approximately find the minimum $\ell_1$ adversarial distortion of a ReLU network with a $0.99\ln n$ approximation ratio unless $\mathsf{NP}$=$\mathsf{P}$, where $n$ is the number of neurons in the network.

Tsui-Wei Weng, Huan Zhang, Pin-Yu Chen et al.

The robustness of neural networks to adversarial examples has received great attention due to security implications. Despite various attack approaches to crafting visually imperceptible adversarial examples, little has been developed towards a comprehensive measure of robustness. In this paper, we provide a theoretical justification for converting robustness analysis into a local Lipschitz constant estimation problem, and propose to use the Extreme Value Theory for efficient evaluation. Our analysis yields a novel robustness metric called CLEVER, which is short for Cross Lipschitz Extreme Value for nEtwork Robustness. The proposed CLEVER score is attack-agnostic and computationally feasible for large neural networks. Experimental results on various networks, including ResNet, Inception-v3 and MobileNet, show that (i) CLEVER is aligned with the robustness indication measured by the $\ell_2$ and $\ell_\infty$ norms of adversarial examples from powerful attacks, and (ii) defended networks using defensive distillation or bounded ReLU indeed achieve better CLEVER scores. To the best of our knowledge, CLEVER is the first attack-independent robustness metric that can be applied to any neural network classifier.