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xMIL: Insightful Explanations for Multiple Instance Learning in Histopathology

Neural Information Processing Systems

Multiple instance learning (MIL) is an effective and widely used approach for weakly supervised machine learning. In histopathology, MIL models have achieved remarkable success in tasks like tumor detection, biomarker prediction, and outcome prognostication. However, MIL explanation methods are still lagging behind, as they are limited to small bag sizes or disregard instance interactions. We revisit MIL through the lens of explainable AI (XAI) and introduce xMIL, a refined framework with more general assumptions. We demonstrate how to obtain improved MIL explanations using layer-wise relevance propagation (LRP) and conduct extensive evaluation experiments on three toy settings and four real-world histopathology datasets. Our approach consistently outperforms previous explanation attempts with particularly improved faithfulness scores on challenging biomarker prediction tasks. Finally, we showcase how xMIL explanations enable pathologists to extract insights from MIL models, representing a significant advance for knowledge discovery and model debugging in digital histopathology.


RGMIL: Guide Your Multiple-Instance Learning Model with Regressor

Neural Information Processing Systems

In video analysis, an important challenge is insufficient annotated data due to the rare occurrence of the critical patterns, and we need to provide discriminative frame-level representation with limited annotation in some applications. Multiple Instance Learning (MIL) is suitable for this scenario. However, many MIL models paid attention to analyzing the relationships between instance representations and aggregating them, but neglecting the critical information from the MIL problem itself, which causes difficultly achieving ideal instance-level performance compared with the supervised model.To address this issue, we propose the $\textbf{\textit{Regressor-Guided MIL network} (RGMIL)}$, which effectively produces discriminative instance-level representations in a general multi-classification scenario. In the proposed method, we make full use of the $\textit{regressor}$ through our newly introduced $\textit{aggregator}$, $\textbf{\textit{Regressor-Guided Pooling} (RGP)}$. RGP focuses on simulating the correct inference process of humans while facing similar problems without introducing new parameters, and the MIL problem can be accurately described through the critical information from the $\textit{regressor}$ in our method.


Non-Markovian Reward Modelling from Trajectory Labels via Interpretable Multiple Instance Learning

Neural Information Processing Systems

We generalise the problem of reward modelling (RM) for reinforcement learning (RL) to handle non-Markovian rewards. Existing work assumes that human evaluators observe each step in a trajectory independently when providing feedback on agent behaviour. In this work, we remove this assumption, extending RM to capture temporal dependencies in human assessment of trajectories. We show how RM can be approached as a multiple instance learning (MIL) problem, where trajectories are treated as bags with return labels, and steps within the trajectories are instances with unseen reward labels. We go on to develop new MIL models that are able to capture the time dependencies in labelled trajectories. We demonstrate on a range of RL tasks that our novel MIL models can reconstruct reward functions to a high level of accuracy, and can be used to train high-performing agent policies.


Reproducibility in Multiple Instance Learning: A Case For Algorithmic Unit Tests

Neural Information Processing Systems

Multiple Instance Learning (MIL) is a sub-domain of classification problems with positive and negative labels and a bag of inputs, where the label is positive if and only if a positive element is contained within the bag, and otherwise is negative. Training in this context requires associating the bag-wide label to instance-level information, and implicitly contains a causal assumption and asymmetry to the task (i.e., you can't swap the labels without changing the semantics). MIL problems occur in healthcare (one malignant cell indicates cancer), cyber security (one malicious executable makes an infected computer), and many other tasks. In this work, we examine five of the most prominent deep-MIL models and find that none of them respects the standard MIL assumption. They are able to learn anti-correlated instances, i.e., defaulting to positive labels until seeing a negative counter-example, which should not be possible for a correct MIL model.


milearn: A Python Package for Multi-Instance Machine Learning

Zankov, Dmitry, Polishchuk, Pavlo, Sobieraj, Michal, Barbatti, Mario

arXiv.org Artificial Intelligence

We introduce milearn, a Python package for multi-instance learning (MIL) that follows the familiar scikit-learn fit/predict interface while providing a unified framework for both classical and neural-network-based MIL algorithms for regression and classification. The package also includes built-in hyperparameter optimization designed specifically for small MIL datasets, enabling robust model selection in data-scarce scenarios. We demonstrate the versatility of milearn across a broad range of synthetic MIL benchmark datasets, including digit classification and regression, molecular property prediction, and protein-protein interaction (PPI) prediction. Special emphasis is placed on the key instance detection (KID) problem, for which the package provides dedicated support.


A Vector Symbolic Approach to Multiple Instance Learning

Dhrubo, Ehsan Ahmed, Alam, Mohammad Mahmudul, Raff, Edward, Oates, Tim, Holt, James

arXiv.org Artificial Intelligence

Multiple Instance Learning (MIL) tasks impose a strict logical constraint: a bag is labeled positive if and only if at least one instance within it is positive. While this iff constraint aligns with many real-world applications, recent work has shown that most deep learning-based MIL approaches violate it, leading to inflated performance metrics and poor generalization. We propose a novel MIL framework based on Vector Symbolic Architectures (VSAs), which provide a differentiable mechanism for performing symbolic operations in high-dimensional space. Our method encodes the MIL assumption directly into the model's structure by representing instances and concepts as nearly orthogonal high-dimensional vectors and using algebraic operations to enforce the iff constraint during classification. To bridge the gap between raw data and VSA representations, we design a learned encoder that transforms input instances into VSA-compatible vectors while preserving key distributional properties. Our approach, which includes a VSA-driven MaxNetwork classifier, achieves state-of-the-art results for a valid MIL model on standard MIL benchmarks and medical imaging datasets, outperforming existing methods while maintaining strict adherence to the MIL formulation. This work offers a principled, interpretable, and effective alternative to existing MIL approaches that rely on learned heuristics.