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Saumitra Mishra

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15 papers

2 author rows

NeurIPS Conference 2025 Conference Paper

Cross-Domain Graph Data Scaling: A Showcase with Diffusion Models

Wenzhuo Tang
Haitao Mao
Danial Dervovic
Ivan Brugere
Saumitra Mishra
Yuying Xie
Jiliang Tang

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.

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TMLR Journal 2025 Journal Article

Global Graph Counterfactual Explanation: A Subgraph Mapping Approach

Yinhan He
Wendy Zheng
Yaochen Zhu
Jing Ma
Saumitra Mishra
Natraj Raman
Ninghao Liu
Jundong Li

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 \url{https://github.com/YinhanHe123/GlobalGCE}.

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ICLR Conference 2025 Conference Paper

Interpreting Language Reward Models via Contrastive Explanations

Junqi Jiang
Tom Bewley
Saumitra Mishra
Freddy Lécué
Manuela Veloso

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.

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ICML Conference 2025 Conference Paper

Quantifying Prediction Consistency Under Fine-tuning Multiplicity in Tabular LLMs

Faisal Hamman
Pasan Dissanayake
Saumitra Mishra
Freddy Lécué
Sanghamitra Dutta

Fine-tuning LLMs on tabular classification tasks can lead to the phenomenon of fine-tuning multiplicity where equally well-performing models make conflicting predictions on the same input. Fine-tuning multiplicity can arise due to variations in the training process, e. g. , seed, weight initialization, minor changes to training data, etc. , raising concerns about the reliability of Tabular LLMs in high-stakes applications such as finance, hiring, education, healthcare. Our work formalizes this unique challenge of fine-tuning multiplicity in Tabular LLMs and proposes a novel measure to quantify the consistency of individual predictions without expensive model retraining. Our measure quantifies a prediction’s consistency by analyzing (sampling) the model’s local behavior around that input in the embedding space. Interestingly, we show that sampling in the local neighborhood can be leveraged to provide probabilistic guarantees on prediction consistency under a broad class of fine-tuned models, i. e. , inputs with sufficiently high local stability (as defined by our measure) also remain consistent across several fine-tuned models with high probability. We perform experiments on multiple real-world datasets to show that our local stability measure preemptively captures consistency under actual multiplicity across several fine-tuned models, outperforming competing measures.

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NeurIPS Conference 2025 Conference Paper

Representation Consistency for Accurate and Coherent LLM Answer Aggregation

Junqi Jiang
Tom Bewley
Salim I. Amoukou
Francesco Leofante
Antonio Rago
Saumitra Mishra
Francesca Toni

Test-time scaling improves large language models' (LLMs) performance by allocating more compute budget during inference. To achieve this, existing methods often require intricate modifications to prompting and sampling strategies. In this work, we introduce representation consistency (RC), a test-time scaling method for aggregating answers drawn from multiple candidate responses of an LLM regardless of how they were generated, including variations in prompt phrasing and sampling strategy. RC enhances answer aggregation by not only considering the number of occurrences of each answer in the candidate response set, but also the consistency of the model's internal activations while generating the set of responses leading to each answer. These activations can be either dense (raw model activations) or sparse (encoded via pretrained sparse autoencoders). Our rationale is that if the model's representations of multiple responses converging on the same answer are highly variable, this answer is more likely to be the result of incoherent reasoning and should be down-weighted during aggregation. Importantly, our method only uses cached activations and lightweight similarity computations and requires no additional model queries. Through experiments with four open-source LLMs and four reasoning datasets, we validate the effectiveness of RC for improving task performance during inference, with consistent accuracy improvements (up to 4\%) over strong test-time scaling baselines. We also show that consistency in the sparse activation signals aligns well with the common notion of coherent reasoning.

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ICML Conference 2025 Conference Paper

To Steer or Not to Steer? Mechanistic Error Reduction with Abstention for Language Models

Anna Hedström
Salim I. Amoukou
Tom Bewley
Saumitra Mishra
Manuela Veloso

We introduce Mechanistic Error Reduction with Abstention (MERA), a principled framework for steering language models (LMs) to mitigate errors through selective, adaptive interventions. Unlike existing methods that rely on fixed, manually tuned steering strengths, often resulting in under or oversteering, MERA addresses these limitations by (i) optimising the intervention direction, and (ii) calibrating when and how much to steer, thereby provably improving performance or abstaining when no confident correction is possible. Experiments across diverse datasets and LM families demonstrate safe, effective, non-degrading error correction and that MERA outperforms existing baselines. Moreover, MERA can be applied on top of existing steering techniques to further enhance their performance, establishing it as a general-purpose and efficient approach to mechanistic activation steering.

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ICML Conference 2024 Conference Paper

Counterfactual Metarules for Local and Global Recourse

Tom Bewley
Salim I. Amoukou
Saumitra Mishra
Daniele Magazzeni
Manuela Veloso

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 generalised rules. It leverages tree-based surrogate models to learn the counterfactual rules, alongside metarules denoting their regimes 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.

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NeurIPS Conference 2024 Conference Paper

IKEA Manuals at Work: 4D Grounding of Assembly Instructions on Internet Videos

Yunong Liu
Cristobal Eyzaguirre
Manling Li
Shubh Khanna
Juan Carlos Niebles
Vineeth Ravi
Saumitra Mishra
Weiyu Liu

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.

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ICML Conference 2024 Conference Paper

Progressive Inference: Explaining Decoder-Only Sequence Classification Models Using Intermediate Predictions

Sanjay Kariyappa
Freddy Lécué
Saumitra Mishra
Christopher Pond
Daniele Magazzeni
Manuela Veloso

This paper proposes Progressive inference–a framework to explain the predictions of decoder-only transformer models trained to perform sequence classification tasks. Our work is based on the insight that the classification head of a decoder-only model can be used to make intermediate predictions by evaluating them at different points in the input sequence. Due to the masked attention mechanism used in decoder-only models, 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 core insight. First, we propose Single Pass-Progressive Inference (SP-PI) to compute attributions by simply taking the difference between intermediate predictions. Second, we exploit a connection with Kernel SHAP to develop Multi Pass-Progressive Inference (MP-PI); this uses intermediate predictions from multiple masked versions of the input to compute higher-quality attributions that approximate SHAP values. We perform studies on several text classification datasets to demonstrate that our proposal provides better explanations compared to prior work, both in the single-pass and multi-pass settings.

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NeurIPS Conference 2024 Conference Paper

Sequential Harmful Shift Detection Without Labels

Salim I. Amoukou
Tom Bewley
Saumitra Mishra
Freddy Lecue
Daniele Magazzeni
Manuela Veloso

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.

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ICML Conference 2023 Conference Paper

GLOBE-CE: A Translation Based Approach for Global Counterfactual Explanations

Dan Ley
Saumitra Mishra
Daniele Magazzeni

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).

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ICML Conference 2023 Conference Paper

Robust Counterfactual Explanations for Neural Networks With Probabilistic Guarantees

Faisal Hamman
Erfaun Noorani
Saumitra Mishra
Daniele Magazzeni
Sanghamitra Dutta

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)\|{ 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 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 Stability as defined by our measure will remain valid after potential “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.

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AAAI Conference 2023 Conference Paper

Symbolic Metamodels for Interpreting Black-Boxes Using Primitive Functions

Mahed Abroshan
Saumitra Mishra
Mohammad Mahdi Khalili

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.

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NeurIPS Conference 2022 Conference Paper

CLEAR: Generative Counterfactual Explanations on Graphs

Jing Ma
Ruocheng Guo
Saumitra Mishra
Aidong Zhang
Jundong Li

Counterfactual explanations promote explainability in machine learning models by answering the question “how should the input instance be altered 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 paper, we study the problem of counterfactual explanation generation on graphs. A few studies have explored to generate 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; 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 causal model. Extensive experiments on both synthetic and real-world graphs validate the superiority of CLEAR over state-of-the-art counterfactual explanation methods on graphs in different aspects.

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ICML Conference 2022 Conference Paper

Robust Counterfactual Explanations for Tree-Based Ensembles

Sanghamitra Dutta
Jason Long
Saumitra Mishra
Cecilia Tilli
Daniele Magazzeni

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.

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