Dawid Rymarczyk

Łukasz Struski, Dawid Rymarczyk, Arkadiusz Lewicki et al.

Multiple Instance Learning (MIL) is a weakly-supervised problem in which one label is assigned to the whole bag of instances. An important class of MIL models is instance-based, where we first classify instances and then aggregate those predictions to obtain a bag label. The most common MIL model is when we consider a bag as positive if at least one of its instances has a positive label. However, this reasoning does not hold in many real-life scenarios, where the positive bag label is often a consequence of a certain percentage of positive instances. To address this issue, we introduce a dedicated instance-based method called ProMIL, based on deep neural networks and Bernstein polynomial estimation. An important advantage of ProMIL is that it can automatically detect the optimal percentage level for decision-making. We show that ProMIL outperforms standard instance-based MIL in real-world medical applications. We make the code available.

Dawid Rymarczyk, Joost van de Weijer, Bartosz Zieliński et al.

Continual learning enables incremental learning of new tasks without forgetting those previously learned, resulting in positive knowledge transfer that can enhance performance on both new and old tasks. However, continual learning poses new challenges for interpretability, as the rationale behind model predictions may change over time, leading to interpretability concept drift. We address this problem by proposing Interpretable Class-InCremental LEarning (ICICLE), an exemplar-free approach that adopts a prototypical part-based approach. It consists of three crucial novelties: interpretability regularization that distills previously learned concepts while preserving user-friendly positive reasoning; proximity-based prototype initialization strategy dedicated to the fine-grained setting; and task-recency bias compensation devoted to prototypical parts. Our experimental results demonstrate that ICICLE reduces the interpretability concept drift and outperforms the existing exemplar-free methods of common class-incremental learning when applied to concept-based models.

Mikołaj Sacha, Dawid Rymarczyk, Łukasz Struski et al.

We introduce ProtoSeg, a novel model for interpretable semantic image segmentation, which constructs its predictions using similar patches from the training set. To achieve accuracy comparable to baseline methods, we adapt the mechanism of prototypical parts and introduce a diversity loss function that increases the variety of prototypes within each class. We show that ProtoSeg discovers semantic concepts, in contrast to standard segmentation models. Experiments conducted on Pascal VOC and Cityscapes datasets confirm the precision and transparency of the presented method.

Adam Wróbel, Siddhartha Gairola, Jacek Tabor et al.

Vision Transformers (ViTs) have become a dominant architecture in computer vision, yet producing stable and high-resolution attribution maps for these models remains challenging. Architectural components such as patch embeddings and attention routing often introduce structured artifacts in pixel-level explanations, causing many existing methods to rely on coarse patch-level attributions. We introduce DAVE \textit{(\underline{D}istribution-aware \underline{A}ttribution via \underline{V}iT Gradient D\underline{E}composition)}, a mathematically grounded attribution method for ViTs based on a structured decomposition of the input gradient. By exploiting architectural properties of ViTs, DAVE isolates locally equivariant and stable components of the effective input--output mapping. It separates these from architecture-induced artifacts and other sources of instability.

Mikołaj Sacha, Bartosz Jura, Dawid Rymarczyk et al.

Prototypical parts-based networks are becoming increasingly popular due to their faithful self-explanations. However, their similarity maps are calculated in the penultimate network layer. Therefore, the receptive field of the prototype activation region often depends on parts of the image outside this region, which can lead to misleading interpretations. We name this undesired behavior a spatial explanation misalignment and introduce an interpretability benchmark with a set of dedicated metrics for quantifying this phenomenon. In addition, we propose a method for misalignment compensation and apply it to existing state-of-the-art models. We show the expressiveness of our benchmark and the effectiveness of the proposed compensation methodology through extensive empirical studies.

Łukasz Janisiów, Sebastian Musiał, Bartosz Zieliński et al.

Small-molecule drug discovery requires simultaneous optimization of numerous properties of candidate molecules. These properties can be investigated through the analysis of high-dimensional biological signatures, such as cell morphology and transcriptomic perturbations, which provide a rich perspective on the underlying biological mechanisms. However, existing generative methods, which use those signatures for optimization, fail to meet two key requirements: providing precise guidance toward desired phenotypic signatures while maintaining structural proximity to a known hit. We introduce PhAME (Phenotype-Aware Molecular Editing), a latent diffusion framework that overcomes this challenge by recasting molecular optimization as editing in the latent space of a pretrained graph-based VAE. Our central contribution is a compositional classifier-free guidance scheme with two independent scales, one for the phenotype-conditioning and one for similarity to the seed structure, allowing practitioners to control the tradeoff between these two objectives. Empirical evaluations across diverse benchmarks, including docking score optimization and multimodal phenotypic generation, demonstrate that PhAME achieves state-of-the-art results while maintaining high chemical validity and novelty.

Dawid Rymarczyk, Daniel Dobrowolski, Tomasz Danel

In this work, we propose the novel Prototypical Graph Regression Self-explainable Trees (ProGReST) model, which combines prototype learning, soft decision trees, and Graph Neural Networks. In contrast to other works, our model can be used to address various challenging tasks, including compound property prediction. In ProGReST, the rationale is obtained along with prediction due to the model's built-in interpretability. Additionally, we introduce a new graph prototype projection to accelerate model training. Finally, we evaluate PRoGReST on a wide range of chemical datasets for molecular property prediction and perform in-depth analysis with chemical experts to evaluate obtained interpretations. Our method achieves competitive results against state-of-the-art methods.

Łukasz Struski, Dawid Rymarczyk, Jacek Tabor

In this work, we introduce InfoDisent, a hybrid approach to explainability based on the information bottleneck principle. InfoDisent enables the disentanglement of information in the final layer of any pretrained model into atomic concepts, which can be interpreted as prototypical parts. This approach merges the flexibility of post-hoc methods with the concept-level modeling capabilities of self-explainable neural networks, such as ProtoPNets. We demonstrate the effectiveness of InfoDisent through computational experiments and user studies across various datasets using modern backbones such as ViTs and convolutional networks. Notably, InfoDisent generalizes the prototypical parts approach to novel domains (ImageNet).

Szymon Opłatek, Dawid Rymarczyk, Bartosz Zieliński

Prototypical parts networks, such as ProtoPNet, became popular due to their potential to produce more genuine explanations than post-hoc methods. However, for a long time, this potential has been strictly theoretical, and no systematic studies have existed to support it. That changed recently with the introduction of the FunnyBirds benchmark, which includes metrics for evaluating different aspects of explanations. However, this benchmark employs attribution maps visualization for all explanation techniques except for the ProtoPNet, for which the bounding boxes are used. This choice significantly influences the metric scores and questions the conclusions stated in FunnyBirds publication. In this study, we comprehensively compare metric scores obtained for two types of ProtoPNet visualizations: bounding boxes and similarity maps. Our analysis indicates that employing similarity maps aligns better with the essence of ProtoPNet, as evidenced by different metric scores obtained from FunnyBirds. Therefore, we advocate using similarity maps as a visualization technique for prototypical parts networks in explainability evaluation benchmarks.

Mikołaj Janusz, Adam Wróbel, Bartosz Zieliński et al.

Prototypical parts-based models offer a "this looks like that" paradigm for intrinsic interpretability, yet they typically struggle with ImageNet-scale generalization and often require computationally expensive backbone finetuning. Furthermore, existing methods frequently suffer from "prototype drift," where learned prototypes lack tangible grounding in the training distribution and change their activation under small perturbations. We present ProtoQuant, a novel architecture that achieves prototype stability and grounded interpretability through latent vector quantization. By constraining prototypes to a discrete learned codebook within the latent space, we ensure they remain faithful representations of the training data without the need to update the backbone. This design allows ProtoQuant to function as an efficient, interpretable head that scales to large-scale datasets. We evaluate ProtoQuant on ImageNet and several fine-grained benchmarks (CUB-200, Cars-196). Our results demonstrate that ProtoQuant achieves competitive classification accuracy while generalizing to ImageNet and comparable interpretability metrics to other prototypical-parts-based methods.

Jan Olszewski, Dawid Rymarczyk, Piotr Wójcik et al.

Active Visual Exploration (AVE) optimizes the utilization of robotic resources in real-world scenarios by sequentially selecting the most informative observations. However, modern methods require a high computational budget due to processing the same observations multiple times through the autoencoder transformers. As a remedy, we introduce a novel approach to AVE called TOken REcycling (TORE). It divides the encoder into extractor and aggregator components. The extractor processes each observation separately, enabling the reuse of tokens passed to the aggregator. Moreover, to further reduce the computations, we decrease the decoder to only one block. Through extensive experiments, we demonstrate that TORE outperforms state-of-the-art methods while reducing computational overhead by up to 90\%.

Mateusz Pach, Dawid Rymarczyk, Koryna Lewandowska et al.

Prototypical parts networks combine the power of deep learning with the explainability of case-based reasoning to make accurate, interpretable decisions. They follow the this looks like that reasoning, representing each prototypical part with patches from training images. However, a single image patch comprises multiple visual features, such as color, shape, and texture, making it difficult for users to identify which feature is important to the model. To reduce this ambiguity, we introduce the Lucid Prototypical Parts Network (LucidPPN), a novel prototypical parts network that separates color prototypes from other visual features. Our method employs two reasoning branches: one for non-color visual features, processing grayscale images, and another focusing solely on color information. This separation allows us to clarify whether the model's decisions are based on color, shape, or texture. Additionally, LucidPPN identifies prototypical parts corresponding to semantic parts of classified objects, making comparisons between data classes more intuitive, e.g., when two bird species might differ primarily in belly color. Our experiments demonstrate that the two branches are complementary and together achieve results comparable to baseline methods. More importantly, LucidPPN generates less ambiguous prototypical parts, enhancing user understanding.

Marcin Sendera, Łukasz Struski, Kamil Książek et al.

While the capabilities of generative foundational models have advanced rapidly in recent years, methods to prevent harmful and unsafe behaviors remain underdeveloped. Among the pressing challenges in AI safety, machine unlearning (MU) has become increasingly critical to meet upcoming safety regulations. Most existing MU approaches focus on altering the most significant parameters of the model. However, these methods often require fine-tuning substantial portions of the model, resulting in high computational costs and training instabilities, which are typically mitigated by access to the original training dataset. In this work, we address these limitations by leveraging Singular Value Decomposition (SVD) to create a compact, low-dimensional projection that enables the selective forgetting of specific data points. We propose Singular Value Decomposition for Efficient Machine Unlearning (SEMU), a novel approach designed to optimize MU in two key aspects. First, SEMU minimizes the number of model parameters that need to be modified, effectively removing unwanted knowledge while making only minimal changes to the model's weights. Second, SEMU eliminates the dependency on the original training dataset, preserving the model's previously acquired knowledge without additional data requirements. Extensive experiments demonstrate that SEMU achieves competitive performance while significantly improving efficiency in terms of both data usage and the number of modified parameters.

Tomasz Michalski, Adam Wróbel, Andrea Bontempelli et al.

Concept-based interpretable neural networks have gained significant attention due to their intuitive and easy-to-understand explanations based on case-based reasoning, such as "this bird looks like those sparrows". However, a major limitation is that these explanations may not always be comprehensible to users due to concept inconsistency, where multiple visual features are inappropriately mixed (e.g., a bird's head and wings treated as a single concept). This inconsistency breaks the alignment between model reasoning and human understanding. Furthermore, users have specific preferences for how concepts should look, yet current approaches provide no mechanism for incorporating their feedback. To address these issues, we introduce YoursProtoP, a novel interactive strategy that enables the personalization of prototypical parts - the visual concepts used by the model - according to user needs. By incorporating user supervision, YoursProtoP adapts and splits concepts used for both prediction and explanation to better match the user's preferences and understanding. Through experiments on both the synthetic FunnyBirds dataset and a real-world scenario using the CUB, CARS, and PETS datasets in a comprehensive user study, we demonstrate the effectiveness of YoursProtoP in achieving concept consistency without compromising the accuracy of the model.

Magdalena Proszewska, Tomasz Danel, Dawid Rymarczyk

Understanding the reasoning behind deep learning model predictions is crucial in cheminformatics and drug discovery, where molecular design determines their properties. However, current evaluation frameworks for Explainable AI (XAI) in this domain often rely on artificial datasets or simplified tasks, employing data-derived metrics that fail to capture the complexity of real-world scenarios and lack a direct link to explanation faithfulness. To address this, we introduce B-XAIC, a novel benchmark constructed from real-world molecular data and diverse tasks with known ground-truth rationales for assigned labels. Through a comprehensive evaluation using B-XAIC, we reveal limitations of existing XAI methods for Graph Neural Networks (GNNs) in the molecular domain. This benchmark provides a valuable resource for gaining deeper insights into the faithfulness of XAI, facilitating the development of more reliable and interpretable models.

Viktar Dubovik, Łukasz Struski, Jacek Tabor et al.

Understanding the decisions made by deep neural networks is essential in high-stakes domains such as medical imaging and autonomous driving. Yet, these models often lack transparency, particularly in computer vision. Prototypical-parts-based neural networks have emerged as a promising solution by offering concept-level explanations. However, most are limited to fine-grained classification tasks, with few exceptions such as InfoDisent. InfoDisent extends prototypical models to large-scale datasets like ImageNet, but produces complex explanations. We introduce Sparse Information Disentanglement for Explainability (SIDE), a novel method that improves the interpretability of prototypical parts through a dedicated training and pruning scheme that enforces sparsity. Combined with sigmoid activations in place of softmax, this approach allows SIDE to associate each class with only a small set of relevant prototypes. Extensive experiments show that SIDE matches the accuracy of existing methods while reducing explanation size by over $90\%$, substantially enhancing the understandability of prototype-based explanations.

Agnieszka Sroka-Oleksiak, Adam Pardyl, Dawid Rymarczyk et al.

Sepsis is a life-threatening condition which requires rapid diagnosis and treatment. Traditional microbiological methods are time-consuming and expensive. In response to these challenges, deep learning algorithms were developed to identify 14 bacteria species and 3 yeast-like fungi from microscopic images of Gram-stained smears of positive blood samples from sepsis patients. A total of 16,637 Gram-stained microscopic images were used in the study. The analysis used the Cellpose 3 model for segmentation and Attention-based Deep Multiple Instance Learning for classification. Our model achieved an accuracy of 77.15% for bacteria and 71.39% for fungi, with ROC AUC of 0.97 and 0.88, respectively. The highest values, reaching up to 96.2%, were obtained for Cutibacterium acnes, Enterococcus faecium, Stenotrophomonas maltophilia and Nakaseomyces glabratus. Classification difficulties were observed in closely related species, such as Staphylococcus hominis and Staphylococcus haemolyticus, due to morphological similarity, and within Candida albicans due to high morphotic diversity. The study confirms the potential of our model for microbial classification, but it also indicates the need for further optimisation and expansion of the training data set. In the future, this technology could support microbial diagnosis, reducing diagnostic time and improving the effectiveness of sepsis treatment due to its simplicity and accessibility. Part of the results presented in this publication was covered by a patent application at the European Patent Office EP24461637.1 "A computer implemented method for identifying a microorganism in a blood and a data processing system therefor".

Adam Wróbel, Mikołaj Janusz, Bartosz Zieliński et al.

Deep Learning (DL) models are often black boxes, making their decision-making processes difficult to interpret. This lack of transparency has driven advancements in eXplainable Artificial Intelligence (XAI), a field dedicated to clarifying the reasoning behind DL model predictions. Among these, attribution-based methods such as LRP and GradCAM are widely used, though they rely on approximations that can be imprecise. To address these limitations, we introduce One Matrix to Explain Neural Networks (OMENN), a novel post-hoc method that represents a neural network as a single, interpretable matrix for each specific input. This matrix is constructed through a series of linear transformations that represent the processing of the input by each successive layer in the neural network. As a result, OMENN provides locally precise, attribution-based explanations of the input across various modern models, including ViTs and CNNs. We present a theoretical analysis of OMENN based on dynamic linearity property and validate its effectiveness with extensive tests on two XAI benchmarks, demonstrating that OMENN is competitive with state-of-the-art methods.

Dawid Rymarczyk, Łukasz Struski, Michał Górszczak et al.

We introduce ProtoPool, an interpretable image classification model with a pool of prototypes shared by the classes. The training is more straightforward than in the existing methods because it does not require the pruning stage. It is obtained by introducing a fully differentiable assignment of prototypes to particular classes. Moreover, we introduce a novel focal similarity function to focus the model on the rare foreground features. We show that ProtoPool obtains state-of-the-art accuracy on the CUB-200-2011 and the Stanford Cars datasets, substantially reducing the number of prototypes. We provide a theoretical analysis of the method and a user study to show that our prototypes are more distinctive than those obtained with competitive methods.

Dawid Rymarczyk, Adam Pardyl, Jarosław Kraus et al.

Multiple Instance Learning (MIL) gains popularity in many real-life machine learning applications due to its weakly supervised nature. However, the corresponding effort on explaining MIL lags behind, and it is usually limited to presenting instances of a bag that are crucial for a particular prediction. In this paper, we fill this gap by introducing ProtoMIL, a novel self-explainable MIL method inspired by the case-based reasoning process that operates on visual prototypes. Thanks to incorporating prototypical features into objects description, ProtoMIL unprecedentedly joins the model accuracy and fine-grained interpretability, which we present with the experiments on five recognized MIL datasets.

Adriana Borowa, Dawid Rymarczyk, Dorota Ochońska et al.

In this work, we analyze if it is possible to distinguish between different clones of the same bacteria species (Klebsiella pneumoniae) based only on microscopic images. It is a challenging task, previously considered impossible due to the high clones similarity. For this purpose, we apply a multi-step algorithm with attention-based multiple instance learning. Except for obtaining accuracy at the level of 0.9, we introduce extensive interpretability based on CellProfiler and persistence homology, increasing the understandability and trust in the model.

Dawid Rymarczyk, Łukasz Struski, Jacek Tabor et al.

In this paper, we introduce ProtoPShare, a self-explained method that incorporates the paradigm of prototypical parts to explain its predictions. The main novelty of the ProtoPShare is its ability to efficiently share prototypical parts between the classes thanks to our data-dependent merge-pruning. Moreover, the prototypes are more consistent and the model is more robust to image perturbations than the state of the art method ProtoPNet. We verify our findings on two datasets, the CUB-200-2011 and the Stanford Cars.

Dawid Rymarczyk, Adriana Borowa, Jacek Tabor et al.

Not all supervised learning problems are described by a pair of a fixed-size input tensor and a label. In some cases, especially in medical image analysis, a label corresponds to a bag of instances (e.g. image patches), and to classify such bag, aggregation of information from all of the instances is needed. There have been several attempts to create a model working with a bag of instances, however, they are assuming that there are no dependencies within the bag and the label is connected to at least one instance. In this work, we introduce Self-Attention Attention-based MIL Pooling (SA-AbMILP) aggregation operation to account for the dependencies between instances. We conduct several experiments on MNIST, histological, microbiological, and retinal databases to show that SA-AbMILP performs better than other models. Additionally, we investigate kernel variations of Self-Attention and their influence on the results.

Bartosz Zieliński, Agnieszka Sroka-Oleksiak, Dawid Rymarczyk et al.

Preliminary diagnosis of fungal infections can rely on microscopic examination. However, in many cases, it does not allow unambiguous identification of the species by microbiologist due to their visual similarity. Therefore, it is usually necessary to use additional biochemical tests. That involves additional costs and extends the identification process up to 10 days. Such a delay in the implementation of targeted therapy may be grave in consequence as the mortality rate for immunosuppressed patients is high. In this paper, we apply a machine learning approach based on deep neural networks and Fisher Vector (advanced bag-of-words method) to classify microscopic images of various fungi species. Our approach has the potential to make the last stage of biochemical identification redundant, shortening the identification process by 2-3 days, and reducing the cost of the diagnosis.

Bartosz Zieliński, Agnieszka Sroka-Oleksiak, Dawid Rymarczyk et al.

Diagnosis of fungal infections can rely on microscopic examination, however, in many cases, it does not allow unambiguous identification of the species due to their visual similarity. Therefore, it is usually necessary to use additional biochemical tests. That involves additional costs and extends the identification process up to 10 days. Such a delay in the implementation of targeted treatment is grave in consequences as the mortality rate for immunosuppressed patients is high. In this paper, we apply machine learning approach based on deep learning and bag-of-words to classify microscopic images of various fungi species. Our approach makes the last stage of biochemical identification redundant, shortening the identification process by 2-3 days and reducing the cost of the diagnostic examination.