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We introduce a novel approach for detecting distribution shifts that negatively impact the performance of machine learning models in continuous production environments, which requires no access to ground truth data labels. It builds upon the work of Podkopaev and Ramdas [2022], who address scenarios where labels are available for tracking model errors over time. Our solution extends this framework to work in the absence of labels, by employing a proxy for the true error. This proxy is derived using the predictions of a trained error estimator. Experiments show that our method has high power and false alarm control under various distribution shifts, including covariate and label shifts and natural shifts over geography and time., Comment: Accepted at the 38th Conference on Neural Information Processing Systems (NeurIPS 2024)

Reward models (RMs) are a crucial component in the alignment of large language models' (LLMs) outputs with human values. RMs approximate human preferences over possible LLM responses to the same prompt by predicting and comparing reward scores. However, as they are typically modified versions of LLMs with scalar output heads, RMs are large black boxes whose predictions are not explainable. More transparent RMs would enable improved trust in the alignment of LLMs. In this work, we propose to use contrastive explanations to explain any binary response comparison made by an RM. Specifically, we generate a diverse set of new comparisons similar to the original one to characterise the RM's local behaviour. The perturbed responses forming the new comparisons are generated to explicitly modify manually specified high-level evaluation attributes, on which analyses of RM behaviour are grounded. In quantitative experiments, we validate the effectiveness of our method for finding high-quality contrastive explanations. We then showcase the qualitative usefulness of our method for investigating global sensitivity of RMs to each evaluation attribute, and demonstrate how representative examples can be automatically extracted to explain and compare behaviours of different RMs. We see our method as a flexible framework for RM explanation, providing a basis for more interpretable and trustworthy LLM alignment.

Shape assembly is a ubiquitous task in daily life, integral for constructing complex 3D structures like IKEA furniture. While significant progress has been made in developing autonomous agents for shape assembly, existing datasets have not yet tackled the 4D grounding of assembly instructions in videos, essential for a holistic understanding of assembly in 3D space over time. We introduce IKEA Video Manuals, a dataset that features 3D models of furniture parts, instructional manuals, assembly videos from the Internet, and most importantly, annotations of dense spatio-temporal alignments between these data modalities. To demonstrate the utility of IKEA Video Manuals, we present five applications essential for shape assembly: assembly plan generation, part-conditioned segmentation, part-conditioned pose estimation, video object segmentation, and furniture assembly based on instructional video manuals. For each application, we provide evaluation metrics and baseline methods. Through experiments on our annotated data, we highlight many challenges in grounding assembly instructions in videos to improve shape assembly, including handling occlusions, varying viewpoints, and extended assembly sequences., Comment: NeurIPS 2024 Datasets and Benchmarks Track

Graph Neural Networks (GNNs) have been widely deployed in various real-world applications. However, most GNNs are black-box models that lack explanations. One strategy to explain GNNs is through counterfactual explanation, which aims to find minimum perturbations on input graphs that change the GNN predictions. Existing works on GNN counterfactual explanations primarily concentrate on the local-level perspective (i.e., generating counterfactuals for each individual graph), which suffers from information overload and lacks insights into the broader cross-graph relationships. To address such issues, we propose GlobalGCE, a novel global-level graph counterfactual explanation method. GlobalGCE aims to identify a collection of subgraph mapping rules as counterfactual explanations for the target GNN. According to these rules, substituting certain significant subgraphs with their counterfactual subgraphs will change the GNN prediction to the desired class for most graphs (i.e., maximum coverage). Methodologically, we design a significant subgraph generator and a counterfactual subgraph autoencoder in our GlobalGCE, where the subgraphs and the rules can be effectively generated. Extensive experiments demonstrate the superiority of our GlobalGCE compared to existing baselines. Our code can be found at https://anonymous.4open.science/r/GlobalGCE-92E8.

Fine-tuning large language models (LLMs) on limited tabular data for classification tasks can lead to \textit{fine-tuning multiplicity}, where equally well-performing models make conflicting predictions on the same inputs due to variations in the training process (i.e., seed, random weight initialization, retraining on additional or deleted samples). This raises critical concerns about the robustness and reliability of Tabular LLMs, particularly when deployed for high-stakes decision-making, such as finance, hiring, education, healthcare, etc. This work formalizes the challenge of fine-tuning multiplicity in Tabular LLMs and proposes a novel metric to quantify the robustness of individual predictions without expensive model retraining. Our metric quantifies a prediction's stability by analyzing (sampling) the model's local behavior around the input in the embedding space. Interestingly, we show that sampling in the local neighborhood can be leveraged to provide probabilistic robustness guarantees against a broad class of fine-tuned models. By leveraging Bernstein's Inequality, we show that predictions with sufficiently high robustness (as defined by our measure) will remain consistent with high probability. We also provide empirical evaluation on real-world datasets to support our theoretical results. Our work highlights the importance of addressing fine-tuning instabilities to enable trustworthy deployment of LLMs in high-stakes and safety-critical applications.

Models for natural language and images benefit from data scaling behavior: the more data fed into the model, the better they perform. This 'better with more' phenomenon enables the effectiveness of large-scale pre-training on vast amounts of data. However, current graph pre-training methods struggle to scale up data due to heterogeneity across graphs. To achieve effective data scaling, we aim to develop a general model that is able to capture diverse data patterns of graphs and can be utilized to adaptively help the downstream tasks. To this end, we propose UniAug, a universal graph structure augmentor built on a diffusion model. We first pre-train a discrete diffusion model on thousands of graphs across domains to learn the graph structural patterns. In the downstream phase, we provide adaptive enhancement by conducting graph structure augmentation with the help of the pre-trained diffusion model via guided generation. By leveraging the pre-trained diffusion model for structure augmentation, we consistently achieve performance improvements across various downstream tasks in a plug-and-play manner. To the best of our knowledge, this study represents the first demonstration of a data-scaling graph structure augmentor on graphs across domains.

This paper proposes Progressive Inference - a framework to compute input attributions to explain the predictions of decoder-only sequence classification models. Our work is based on the insight that the classification head of a decoder-only Transformer model can be used to make intermediate predictions by evaluating them at different points in the input sequence. Due to the causal attention mechanism, these intermediate predictions only depend on the tokens seen before the inference point, allowing us to obtain the model's prediction on a masked input sub-sequence, with negligible computational overheads. We develop two methods to provide sub-sequence level attributions using this insight. First, we propose Single Pass-Progressive Inference (SP-PI), which computes attributions by taking the difference between consecutive intermediate predictions. Second, we exploit a connection with Kernel SHAP to develop Multi Pass-Progressive Inference (MP-PI). MP-PI uses intermediate predictions from multiple masked versions of the input to compute higher quality attributions. Our studies on a diverse set of models trained on text classification tasks show that SP-PI and MP-PI provide significantly better attributions compared to prior work.

We introduce T-CREx, a novel model-agnostic method for local and global counterfactual explanation (CE), which summarises recourse options for both individuals and groups in the form of human-readable rules. It leverages tree-based surrogate models to learn the counterfactual rules, alongside 'metarules' denoting their regions of optimality, providing both a global analysis of model behaviour and diverse recourse options for users. Experiments indicate that T-CREx achieves superior aggregate performance over existing rule-based baselines on a range of CE desiderata, while being orders of magnitude faster to run., Comment: Accepted at ICML 2024

Explainable Artificial Intelligence (XAI) has received widespread interest in recent years, and two of the most popular types of explanations are feature attributions, and counterfactual explanations. These classes of approaches have been largely studied independently and the few attempts at reconciling them have been primarily empirical. This work establishes a clear theoretical connection between game-theoretic feature attributions, focusing on but not limited to SHAP, and counterfactuals explanations. After motivating operative changes to Shapley values based feature attributions and counterfactual explanations, we prove that, under conditions, they are in fact equivalent. We then extend the equivalency result to game-theoretic solution concepts beyond Shapley values. Moreover, through the analysis of the conditions of such equivalence, we shed light on the limitations of naively using counterfactual explanations to provide feature importances. Experiments on three datasets quantitatively show the difference in explanations at every stage of the connection between the two approaches and corroborate the theoretical findings., Comment: Accepted at AIES 2023

Counterfactual explanations have been widely studied in explainability, with a range of application dependent methods prominent in fairness, recourse and model understanding. The major shortcoming associated with these methods, however, is their inability to provide explanations beyond the local or instance-level. While many works touch upon the notion of a global explanation, typically suggesting to aggregate masses of local explanations in the hope of ascertaining global properties, few provide frameworks that are both reliable and computationally tractable. Meanwhile, practitioners are requesting more efficient and interactive explainability tools. We take this opportunity to propose Global & Efficient Counterfactual Explanations (GLOBE-CE), a flexible framework that tackles the reliability and scalability issues associated with current state-of-the-art, particularly on higher dimensional datasets and in the presence of continuous features. Furthermore, we provide a unique mathematical analysis of categorical feature translations, utilising it in our method. Experimental evaluation with publicly available datasets and user studies demonstrate that GLOBE-CE performs significantly better than the current state-of-the-art across multiple metrics (e.g., speed, reliability)., Comment: Published as a conference paper at ICML 2023 (9 page main text, 3 page references, 16 page appendix)

There is an emerging interest in generating robust counterfactual explanations that would remain valid if the model is updated or changed even slightly. Towards finding robust counterfactuals, existing literature often assumes that the original model $m$ and the new model $M$ are bounded in the parameter space, i.e., $\|\text{Params}(M){-}\text{Params}(m)\|{<}\Delta$. However, models can often change significantly in the parameter space with little to no change in their predictions or accuracy on the given dataset. In this work, we introduce a mathematical abstraction termed $\textit{naturally-occurring}$ model change, which allows for arbitrary changes in the parameter space such that the change in predictions on points that lie on the data manifold is limited. Next, we propose a measure -- that we call $\textit{Stability}$ -- to quantify the robustness of counterfactuals to potential model changes for differentiable models, e.g., neural networks. Our main contribution is to show that counterfactuals with sufficiently high value of $\textit{Stability}$ as defined by our measure will remain valid after potential $\textit{naturally-occurring}$ model changes with high probability (leveraging concentration bounds for Lipschitz function of independent Gaussians). Since our quantification depends on the local Lipschitz constant around a data point which is not always available, we also examine practical relaxations of our proposed measure and demonstrate experimentally how they can be incorporated to find robust counterfactuals for neural networks that are close, realistic, and remain valid after potential model changes. This work also has interesting connections with model multiplicity, also known as, the Rashomon effect., Comment: International Conference on Machine Learning (ICML), 2023

One approach for interpreting black-box machine learning models is to find a global approximation of the model using simple interpretable functions, which is called a metamodel (a model of the model). Approximating the black-box with a metamodel can be used to 1) estimate instance-wise feature importance; 2) understand the functional form of the model; 3) analyze feature interactions. In this work, we propose a new method for finding interpretable metamodels. Our approach utilizes Kolmogorov superposition theorem, which expresses multivariate functions as a composition of univariate functions (our primitive parameterized functions). This composition can be represented in the form of a tree. Inspired by symbolic regression, we use a modified form of genetic programming to search over different tree configurations. Gradient descent (GD) is used to optimize the parameters of a given configuration. Our method is a novel memetic algorithm that uses GD not only for training numerical constants but also for the training of building blocks. Using several experiments, we show that our method outperforms recent metamodeling approaches suggested for interpreting black-boxes., Comment: Accepted at AAAI 2023

Counterfactual explanations promote explainability in machine learning models by answering the question "how should an input instance be perturbed to obtain a desired predicted label?". The comparison of this instance before and after perturbation can enhance human interpretation. Most existing studies on counterfactual explanations are limited in tabular data or image data. In this work, we study the problem of counterfactual explanation generation on graphs. A few studies have explored counterfactual explanations on graphs, but many challenges of this problem are still not well-addressed: 1) optimizing in the discrete and disorganized space of graphs; 2) generalizing on unseen graphs; and 3) maintaining the causality in the generated counterfactuals without prior knowledge of the causal model. To tackle these challenges, we propose a novel framework CLEAR which aims to generate counterfactual explanations on graphs for graph-level prediction models. Specifically, CLEAR leverages a graph variational autoencoder based mechanism to facilitate its optimization and generalization, and promotes causality by leveraging an auxiliary variable to better identify the underlying causal model. Extensive experiments on both synthetic and real-world graphs validate the superiority of CLEAR over the state-of-the-art methods in different aspects., Comment: 18 pages, 9 figures

Counterfactual explanations inform ways to achieve a desired outcome from a machine learning model. However, such explanations are not robust to certain real-world changes in the underlying model (e.g., retraining the model, changing hyperparameters, etc.), questioning their reliability in several applications, e.g., credit lending. In this work, we propose a novel strategy -- that we call RobX -- to generate robust counterfactuals for tree-based ensembles, e.g., XGBoost. Tree-based ensembles pose additional challenges in robust counterfactual generation, e.g., they have a non-smooth and non-differentiable objective function, and they can change a lot in the parameter space under retraining on very similar data. We first introduce a novel metric -- that we call Counterfactual Stability -- that attempts to quantify how robust a counterfactual is going to be to model changes under retraining, and comes with desirable theoretical properties. Our proposed strategy RobX works with any counterfactual generation method (base method) and searches for robust counterfactuals by iteratively refining the counterfactual generated by the base method using our metric Counterfactual Stability. We compare the performance of RobX with popular counterfactual generation methods (for tree-based ensembles) across benchmark datasets. The results demonstrate that our strategy generates counterfactuals that are significantly more robust (nearly 100% validity after actual model changes) and also realistic (in terms of local outlier factor) over existing state-of-the-art methods., Comment: Accepted at ICML 2022

Counterfactual explanations have been widely studied in explainability, with a range of application dependent methods emerging in fairness, recourse and model understanding. However, the major shortcoming associated with these methods is their inability to provide explanations beyond the local or instance-level. While some works touch upon the notion of a global explanation, typically suggesting to aggregate masses of local explanations in the hope of ascertaining global properties, few provide frameworks that are either reliable or computationally tractable. Meanwhile, practitioners are requesting more efficient and interactive explainability tools. We take this opportunity to investigate existing global methods, with a focus on implementing and improving Actionable Recourse Summaries (AReS), the only known global counterfactual explanation framework for recourse., Comment: Published as a workshop paper at ICLR 2022 (5 page main text, references, 3 page appendix)

There exist several methods that aim to address the crucial task of understanding the behaviour of AI/ML models. Arguably, the most popular among them are local explanations that focus on investigating model behaviour for individual instances. Several methods have been proposed for local analysis, but relatively lesser effort has gone into understanding if the explanations are robust and accurately reflect the behaviour of underlying models. In this work, we present a survey of the works that analysed the robustness of two classes of local explanations (feature importance and counterfactual explanations) that are popularly used in analysing AI/ML models in finance. The survey aims to unify existing definitions of robustness, introduces a taxonomy to classify different robustness approaches, and discusses some interesting results. Finally, the survey introduces some pointers about extending current robustness analysis approaches so as to identify reliable explainability methods., Comment: 4 pages plus references. Accepted at the workshop on Explainable AI in Finance (XAI-FIN21). Camera-ready version. V2: Added more references and expanded robust explanations for counterfactuals

One way to analyse the behaviour of machine learning models is through local explanations that highlight input features that maximally influence model predictions. Sensitivity analysis, which involves analysing the effect of input perturbations on model predictions, is one of the methods to generate local explanations. Meaningful input perturbations are essential for generating reliable explanations, but there exists limited work on what such perturbations are and how to perform them. This work investigates these questions in the context of machine listening models that analyse audio. Specifically, we use a state-of-the-art deep singing voice detection (SVD) model to analyse whether explanations from SoundLIME (a local explanation method) are sensitive to how the method perturbs model inputs. The results demonstrate that SoundLIME explanations are sensitive to the content in the occluded input regions. We further propose and demonstrate a novel method for quantitatively identifying suitable content type(s) for reliably occluding inputs of machine listening models. The results for the SVD model suggest that the average magnitude of input mel-spectrogram bins is the most suitable content type for temporal explanations., Comment: 8 pages plus references. Accepted at the IJCNN 2020 Special Session on Explainable Computational/Artificial Intelligence. Camera-ready version

One way to interpret trained deep neural networks (DNNs) is by inspecting characteristics that neurons in the model respond to, such as by iteratively optimising the model input (e.g., an image) to maximally activate specific neurons. However, this requires a careful selection of hyper-parameters to generate interpretable examples for each neuron of interest, and current methods rely on a manual, qualitative evaluation of each setting, which is prohibitively slow. We introduce a new metric that uses Fr\'echet Inception Distance (FID) to encourage similarity between model activations for real and generated data. This provides an efficient way to evaluate a set of generated examples for each setting of hyper-parameters. We also propose a novel GAN-based method for generating explanations that enables an efficient search through the input space and imposes a strong prior favouring realistic outputs. We apply our approach to a classification model trained to predict whether a music audio recording contains singing voice. Our results suggest that this proposed metric successfully selects hyper-parameters leading to interpretable examples, avoiding the need for manual evaluation. Moreover, we see that examples synthesised to maximise or minimise the predicted probability of singing voice presence exhibit vocal or non-vocal characteristics, respectively, suggesting that our approach is able to generate suitable explanations for understanding concepts learned by a neural network., Comment: 8 pages plus references and appendix. Accepted at the ICLR 2019 Workshop "Safe Machine Learning: Specification, Robustness and Assurance". Camera-ready version. v2: Corrected page header

The second Automatic Speaker Verification Spoofing and Countermeasures challenge (ASVspoof 2017) focused on "replay attack" detection. The best deep-learning systems to compete in ASVspoof 2017 used Convolutional Neural Networks (CNNs) as a feature extractor. In this paper, we study their performance in an end-to-end setting. We find that these architectures show poor generalization in the evaluation dataset, but find a compact architecture that shows good generalization on the development data. We demonstrate that for this dataset it is not easy to obtain a similar level of generalization on both the development and evaluation data. This leads to a variety of open questions about what the differences are in the data; why these are more evident in an end-to-end setting; and how these issues can be overcome by increasing the training data., Comment: 6 pages