Daniela Zaharie

Anna V. Kononova, Diederick Vermetten, Fabio Caraffini et al.

We argue that results produced by a heuristic optimisation algorithm cannot be considered reproducible unless the algorithm fully specifies what should be done with solutions generated outside the domain, even in the case of simple box constraints. Currently, in the field of heuristic optimisation, such specification is rarely mentioned or investigated due to the assumed triviality or insignificance of this question. Here, we demonstrate that, at least in algorithms based on Differential Evolution, this choice induces notably different behaviours - in terms of performance, disruptiveness and population diversity. This is shown theoretically (where possible) for standard Differential Evolution in the absence of selection pressure and experimentally for the standard and state-of-the-art Differential Evolution variants on special test function $f_0$ and BBOB benchmarking suite, respectively. Moreover, we demonstrate that the importance of this choice quickly grows with problem's dimensionality. Different Evolution is not at all special in this regard - there is no reason to presume that other heuristic optimisers are not equally affected by the aforementioned algorithmic choice. Thus, we urge the field of heuristic optimisation to formalise and adopt the idea of a new algorithmic component in heuristic optimisers, which we call here a strategy of dealing with infeasible solutions. This component needs to be consistently (a) specified in algorithmic descriptions to guarantee reproducibility of results, (b) studied to better understand its impact on algorithm's performance in a wider sense and (c) included in the (automatic) algorithmic design. All of these should be done even for problems with box constraints.

Emanuel Covaci, Fabian Galis, Radu Balan et al.

Understanding the decision of large deep learning models is a critical challenge for building transparent and trustworthy systems. Although the current post hoc explanation methods offer valuable insights into feature importance, they are inherently disconnected from the model training process, limiting their faithfulness and utility. In this work, we introduce a novel differentiable approach to global explainability by design, integrating feature importance estimation directly into model training. Central to our method is the ScoresActivation function, a feature-ranking mechanism embedded within the learning pipeline. This integration enables models to prioritize features according to their contribution to predictive performance in a differentiable and end-to-end trainable manner. Evaluations across benchmark datasets show that our approach yields globally faithful, stable feature rankings aligned with SHAP values and ground-truth feature importance, while maintaining high predictive performance. Moreover, feature scoring is 150 times faster than the classical SHAP method, requiring only 2 seconds during training compared to SHAP's 300 seconds for feature ranking in the same configuration. Our method also improves classification accuracy by 11.24% with 10 features (5 relevant) and 29.33% with 16 features (5 relevant, 11 irrelevant), demonstrating robustness to irrelevant inputs. This work bridges the gap between model accuracy and interpretability, offering a scalable framework for inherently explainable machine learning.

Kristian Miok, Blaz Škrlj, Daniela Zaharie et al.

Clinical language models often struggle to provide trustworthy predictions and explanations when applied to lengthy, unstructured electronic health records (EHRs). This work introduces TT-XAI, a lightweight and effective framework that improves both classification performance and interpretability through domain-aware keyword distillation and reasoning with large language models (LLMs). First, we demonstrate that distilling raw discharge notes into concise keyword representations significantly enhances BERT classifier performance and improves local explanation fidelity via a focused variant of LIME. Second, we generate chain-of-thought clinical explanations using keyword-guided prompts to steer LLMs, producing more concise and clinically relevant reasoning. We evaluate explanation quality using deletion-based fidelity metrics, self-assessment via LLaMA-3 scoring, and a blinded human study with domain experts. All evaluation modalities consistently favor the keyword-augmented method, confirming that distillation enhances both machine and human interpretability. TT-XAI offers a scalable pathway toward trustworthy, auditable AI in clinical decision support.

Kristian Miok, Blaz Skrlj, Daniela Zaharie et al.

Hate speech is an important problem in the management of user-generated content. To remove offensive content or ban misbehaving users, content moderators need reliable hate speech detectors. Recently, deep neural networks based on the transformer architecture, such as the (multilingual) BERT model, achieve superior performance in many natural language classification tasks, including hate speech detection. So far, these methods have not been able to quantify their output in terms of reliability. We propose a Bayesian method using Monte Carlo dropout within the attention layers of the transformer models to provide well-calibrated reliability estimates. We evaluate and visualize the results of the proposed approach on hate speech detection problems in several languages. Additionally, we test if affective dimensions can enhance the information extracted by the BERT model in hate speech classification. Our experiments show that Monte Carlo dropout provides a viable mechanism for reliability estimation in transformer networks. Used within the BERT model, it ofers state-of-the-art classification performance and can detect less trusted predictions. Also, it was observed that affective dimensions extracted using sentic computing methods can provide insights toward interpretation of emotions involved in hate speech. Our approach not only improves the classification performance of the state-of-the-art multilingual BERT model but the computed reliability scores also significantly reduce the workload in an inspection of ofending cases and reannotation campaigns. The provided visualization helps to understand the borderline outcomes.

Kristian Miok, Dong Nguyen-Doan, Marko Robnik-Šikonja et al.

Due to complex experimental settings, missing values are common in biomedical data. To handle this issue, many methods have been proposed, from ignoring incomplete instances to various data imputation approaches. With the recent rise of deep neural networks, the field of missing data imputation has oriented towards modelling of the data distribution. This paper presents an approach based on Monte Carlo dropout within (Variational) Autoencoders which offers not only very good adaptation to the distribution of the data but also allows generation of new data, adapted to each specific instance. The evaluation shows that the imputation error and predictive similarity can be improved with the proposed approach.

Kristian Miok, Dong Nguyen-Doan, Blaž Škrlj et al.

As a result of social network popularity, in recent years, hate speech phenomenon has significantly increased. Due to its harmful effect on minority groups as well as on large communities, there is a pressing need for hate speech detection and filtering. However, automatic approaches shall not jeopardize free speech, so they shall accompany their decisions with explanations and assessment of uncertainty. Thus, there is a need for predictive machine learning models that not only detect hate speech but also help users understand when texts cross the line and become unacceptable. The reliability of predictions is usually not addressed in text classification. We fill this gap by proposing the adaptation of deep neural networks that can efficiently estimate prediction uncertainty. To reliably detect hate speech, we use Monte Carlo dropout regularization, which mimics Bayesian inference within neural networks. We evaluate our approach using different text embedding methods. We visualize the reliability of results with a novel technique that aids in understanding the classification reliability and errors.

Kristian Miok, Dong Nguyen-Doan, Daniela Zaharie et al.

For many analytical problems the challenge is to handle huge amounts of available data. However, there are data science application areas where collecting information is difficult and costly, e.g., in the study of geological phenomena, rare diseases, faults in complex systems, insurance frauds, etc. In many such cases, generators of synthetic data with the same statistical and predictive properties as the actual data allow efficient simulations and development of tools and applications. In this work, we propose the incorporation of Monte Carlo Dropout method within Autoencoder (MCD-AE) and Variational Autoencoder (MCD-VAE) as efficient generators of synthetic data sets. As the Variational Autoencoder (VAE) is one of the most popular generator techniques, we explore its similarities and differences to the proposed methods. We compare the generated data sets with the original data based on statistical properties, structural similarity, and predictive similarity. The results obtained show a strong similarity between the results of VAE, MCD-VAE and MCD-AE; however, the proposed methods are faster and can generate values similar to specific selected initial instances.