In classical density (or density-functional) estimation, it is standard to assume that the underlying distribution has a density with respect to the Lebesgue measure. However, when the data distribution is a mixture of continuous and discrete components, the resulting methods are inconsistent in theory and perform poorly in practice. In this paper, we point out that a minor modification of existing methods for nonparametric density (functional) estimation can allow us to fully remove this assumption while retaining nearly identical theoretical guarantees and improved empirical performance. Our approach is very simple: data points that appear exactly once are likely to originate from the continuous component, whereas repeated observations are indicative of the discrete part. Leveraging this observation, we modify existing estimators for a broad class of functionals of the continuous component of the mixture; this modification is a "wrapper" in the sense that the user can use any underlying method of their choice for continuous density functional estimation. Our modifications deliver consistency without requiring knowledge of the discrete support, the mixing proportion, and without imposing additional assumptions beyond those needed in the absence of the discrete part. Thus, various theorems and existing software packages can be made automatically more robust, with absolutely no additional price when the data is not truly mixed.

Counterfactual explanations study what should have changed in order to get an alternative result, enabling end-users to understand machine learning mechanisms with counterexamples. Actionability is defined as the ability to transform the original case to be explained into a counterfactual one. We develop a method for actionable counterfactual explanations that, unlike predecessors, does not directly leverage training data. Rather, data is only used to learn a density estimator, creating a search landscape in which to apply path planning algorithms to solve the problem and masking the endogenous data, which can be sensitive or private. We put special focus on estimating the data density using Bayesian networks, demonstrating how their enhanced interpretability is useful in high-stakes scenarios in which fairness is raising concern. Using a synthetic benchmark comprised of 15 datasets, our proposal finds more actionable and simpler counterfactuals than the current state-of-the-art algorithms. We also test our algorithm with a real-world Environmental Protection Agency dataset, facilitating a more efficient and equitable study of policies to improve the quality of life in United States of America counties. Our proposal captures the interaction of variables, ensuring equity in decisions, as policies to improve certain domains of study (air, water quality, etc.) can be detrimental in others. In particular, the sociodemographic domain is often involved, where we find important variables related to the ongoing housing crisis that can potentially have a severe negative impact on communities.

The exponential growth of scientific knowledge has made the automated generation of scientific hypotheses that combine novelty, feasibility, and research value a core challenge. Existing methods based on large language models fail to systematically model the inherent in hypotheses or incorporate the closed-loop feedback mechanisms crucial for refinement. This paper proposes a multi-agent collaborative framework called HypoAgents, which for the first time integrates Bayesian reasoning with an information entropy-driven search mechanism across three stages-hypotheses generation, evidence validation, and hypotheses Refinement-to construct an iterative closed-loop simulating scientists' cognitive processes. Specifically, the framework first generates an initial set of hypotheses through diversity sampling and establishes prior beliefs based on a composite novelty-relevance-feasibility (N-R-F) score. It then employs etrieval-augmented generation (RAG) to gather external literature evidence, updating the posterior probabilities of hypotheses using Bayes' theorem. Finally, it identifies high-uncertainty hypotheses using information entropy $H = - \sum {{p_i}\log {p_i}}$ and actively refines them, guiding the iterative optimization of the hypothesis set toward higher quality and confidence. Experimental results on the ICLR 2025 conference real-world research question dataset (100 research questions) show that after 12 optimization iterations, the average ELO score of generated hypotheses improves by 116.3, surpassing the benchmark of real paper abstracts by 17.8, while the framework's overall uncertainty, as measured by Shannon entropy, decreases significantly by 0.92. This study presents an interpretable probabilistic reasoning framework for automated scientific discovery, substantially improving the quality and reliability of machine-generated research hypotheses.

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike static agent architectures, PCF enables real-time parameter reconfiguration through mathematically-grounded combinatorial spaces, allowing agents to adapt their core behavioral traits dynamically. Grounded in combinatorial logic, topos theory, and rough fuzzy set theory, PCF defines a multidimensional SPARK parameter space (Skills, Personalities, Approaches, Resources, Knowledge) to capture agent behaviors. This paper demonstrates how LLMs can parameterize complex spaces and estimate likely parameter values/variabilities. Using PCF, we parameterized mock café domains (five levels of complexity), estimated variables/variabilities, and conducted over 1.25 million Monte Carlo simulations. The results revealed trends in agent adaptability and performance across the five complexity tiers, with diminishing returns at higher complexity levels highlighting thresholds for scalable designs. PCF enables the generation of optimized agent configurations for specific scenarios while maintaining logical consistency. This framework supports scalable, dynamic, explainable, and ethical AI applications in domains like customer service, healthcare, robotics, and collaborative systems, paving the way for adaptable and cooperative next-generation polymorphic agents.

The emergence of Symbiotic AI (SAI) introduces new challenges to ethical decision-making as it deepens human-AI collaboration. As symbiosis grows, AI systems pose greater ethical risks, including harm to human rights and trust. Ethical Risk Assessment (ERA) thus becomes crucial for guiding decisions that minimize such risks. However, ERA is hindered by uncertainty, vagueness, and incomplete information, and morality itself is context-dependent and imprecise. This motivates the need for a flexible, transparent, yet robust framework for ERA. Our work supports ethical decision-making by quantitatively assessing and prioritizing multiple ethical risks so that artificial agents can select actions aligned with human values and acceptable risk levels. We introduce ff4ERA, a fuzzy framework that integrates Fuzzy Logic, the Fuzzy Analytic Hierarchy Process (FAHP), and Certainty Factors (CF) to quantify ethical risks via an Ethical Risk Score (ERS) for each risk type. The final ERS combines the FAHP-derived weight, propagated CF, and risk level. The framework offers a robust mathematical approach for collaborative ERA modeling and systematic, step-by-step analysis. A case study confirms that ff4ERA yields context-sensitive, ethically meaningful risk scores reflecting both expert input and sensor-based evidence. Risk scores vary consistently with relevant factors while remaining robust to unrelated inputs. Local sensitivity analysis shows predictable, mostly monotonic behavior across perturbations, and global Sobol analysis highlights the dominant influence of expert-defined weights and certainty factors, validating the model design. Overall, the results demonstrate ff4ERA ability to produce interpretable, traceable, and risk-aware ethical assessments, enabling what-if analyses and guiding designers in calibrating membership functions and expert judgments for reliable ethical decision support.

In this paper, we investigate how concept-based models (CMs) respond to out-of-distribution (OOD) inputs. CMs are interpretable neural architectures that first predict a set of high-level concepts (e.g., stripes, black) and then predict a task label from those concepts. In particular, we study the impact of concept interventions (i.e., operations where a human expert corrects a CM's mispredicted concepts at test time) on CMs' task predictions when inputs are OOD. Our analysis reveals a weakness in current state-of-the-art CMs, which we term leakage poisoning, that prevents them from properly improving their accuracy when intervened on for OOD inputs. To address this, we introduce MixCEM, a new CM that learns to dynamically exploit leaked information missing from its concepts only when this information is in-distribution. Our results across tasks with and without complete sets of concept annotations demonstrate that MixCEMs outperform strong baselines by significantly improving their accuracy for both in-distribution and OOD samples in the presence and absence of concept interventions.

Quantifying uncertainty in word embeddings is crucial for reliable inference from textual data. However, existing Bayesian methods such as Hamiltonian Monte Carlo (HMC) and mean-field variational inference (MFVI) are either computationally infeasible for large data or rely on restrictive assumptions. We propose a scalable Gibbs sampler using Polya-Gamma augmentation as well as Laplace approximation and compare them with MFVI and HMC for word embeddings. In addition, we address non-identifiability in word embeddings. Our Gibbs sampler and HMC correctly estimate uncertainties, while MFVI does not, and Laplace approximation only does so on large sample sizes, as expected. Applying the Gibbs sampler to the US Congress and the Movielens datasets, we demonstrate the feasibility on larger real data. Finally, as a result of having draws from the full posterior, we show that the posterior mean of word embeddings improves over maximum a posteriori (MAP) estimates in terms of hold-out likelihood, especially for smaller sampling sizes, further strengthening the need for posterior sampling of word embeddings.

The energy market has faced a significant structural change in the past decade. The global strife for decarbonization is encouraging the use of renewable energy sources, thus affecting the traditional supply-demand pattern, which were historically dominated by fossil fuels like coal, oil, and natural gas [18]. The growing integration of renewable energy sources into the power supply increases uncertainties in the electricity market due to intermittent nature of the sources such as wind or sunshine [57]. The volatility of the generation sources causes high price shocks and regime changes that is compromising to financial stability as well as investment strategies in the power market [58]. Particularly for countries such as Germany, where the larger percentage of electricity is produced by renewable energy sources [37], levels of sunlight and wind impact electricity generation and thus prices. This introduces, in addition to the physical problem of balancing the grid, non-stationarity to most price models, which further adds unreliability to the predictions. Accurate electricity price forecasting is crucial for efficient resource planning, financial risk management, and stabilization of the market, especially with increasing renewable energy penetration, which enables utilities, businesses, and governments to optimize planning and policy maximization while matching demand and supply. The building of an adequate prediction model, which is relatively straightforward and understandable but at the same time can reflect the market complexity and all influence factors engaged in it is not straightforward, and authors have utilized quite broadly three types of model for prediction: statistical/(probability-based) models [12], machine learning/deep learning models [42], and mixed models [30]. Precise forecasting allows the players in the market to make sound monetary policy.

Density operators, quantum generalizations of probability distributions, are gaining prominence in machine learning due to their foundational role in quantum computing. Generative modeling based on density operator models (\textbf{DOMs}) is an emerging field, but existing training algorithms -- such as those for the Quantum Boltzmann Machine -- do not scale to real-world data, such as the MNIST dataset. The Expectation-Maximization algorithm has played a fundamental role in enabling scalable training of probabilistic latent variable models on real-world datasets. \textit{In this paper, we develop an Expectation-Maximization framework to learn latent variable models defined through \textbf{DOMs} on classical hardware, with resources comparable to those used for probabilistic models, while scaling to real-world data.} However, designing such an algorithm is nontrivial due to the absence of a well-defined quantum analogue to conditional probability, which complicates the Expectation step. To overcome this, we reformulate the Expectation step as a quantum information projection (QIP) problem and show that the Petz Recovery Map provides a solution under sufficient conditions. Using this formulation, we introduce the Density Operator Expectation Maximization (DO-EM) algorithm -- an iterative Minorant-Maximization procedure that optimizes a quantum evidence lower bound. We show that the \textbf{DO-EM} algorithm ensures non-decreasing log-likelihood across iterations for a broad class of models. Finally, we present Quantum Interleaved Deep Boltzmann Machines (\textbf{QiDBMs}), a \textbf{DOM} that can be trained with the same resources as a DBM. When trained with \textbf{DO-EM} under Contrastive Divergence, a \textbf{QiDBM} outperforms larger classical DBMs in image generation on the MNIST dataset, achieving a 40--60\% reduction in the Fréchet Inception Distance.

Conditioning, the central operation in Bayesian statistics, is formalised by the notion of disintegration of measures. However, due to the implicit nature of their definition, constructing disintegrations is often difficult. A folklore result in machine learning conflates the construction of a disintegration with the restriction of probability density functions onto the subset of events that are consistent with a given observation. We provide a comprehensive set of mathematical tools which can be used to construct disintegrations and apply these to find densities of disintegrations on differentiable manifolds. Using our results, we provide a disturbingly simple example in which the restricted density and the disintegration density drastically disagree. Motivated by applications in approximate Bayesian inference and Bayesian inverse problems, we further study the modes of disintegrations. We show that the recently introduced notion of a "conditional mode" does not coincide in general with the modes of the conditional measure obtained through disintegration, but rather the modes of the restricted measure. We also discuss the implications of the discrepancy between the two measures in practice, advocating for the utility of both approaches depending on the modelling context.