Neurosymbolic AI aims to integrate deep learning with symbolic AI. This integration has many promises, such as decreasing the amount of data required to train a neural network, improving the explainability and interpretability of answers given by models and verifying the correctness of trained systems. We study neurosymbolic learning, where we have both data and background knowledge expressed using symbolic languages. How do we connect the symbolic and neural components to communicate this knowledge? One option is fuzzy reasoning, which studies degrees of truth. For example, being tall is not a binary concept. Instead, probabilistic reasoning studies the probability that something is true or will happen. Our first research question studies how different forms of fuzzy reasoning combine with learning. We find surprising results like a connection to the Raven paradox stating we confirm "ravens are black" when we observe a green apple. In this study, we did not use the background knowledge when we deployed our models after training. In our second research question, we studied how to use background knowledge in deployed models. We developed a new neural network layer based on fuzzy reasoning. Probabilistic reasoning is a natural fit for neural networks, which we usually train to be probabilistic. However, they are expensive to compute and do not scale well to large tasks. In our third research question, we study how to connect probabilistic reasoning with neural networks by sampling to estimate averages, while in the final research question, we study scaling probabilistic neurosymbolic learning to much larger problems than before. Our insight is to train a neural network with synthetic data to predict the result of probabilistic reasoning.

Bayesian Optimization (BO) is a powerful method for optimizing black-box functions by combining prior knowledge with ongoing function evaluations. BO constructs a probabilistic surrogate model of the objective function given the covariates, which is in turn used to inform the selection of future evaluation points through an acquisition function. For smooth continuous search spaces, Gaussian Processes (GPs) are commonly used as the surrogate model as they offer analytical access to posterior predictive distributions, thus facilitating the computation and optimization of acquisition functions. However, in complex scenarios involving optimizations over categorical or mixed covariate spaces, GPs may not be ideal. This paper introduces Simulation Based Bayesian Optimization (SBBO) as a novel approach to optimizing acquisition functions that only requires \emph{sampling-based} access to posterior predictive distributions. SBBO allows the use of surrogate probabilistic models tailored for combinatorial spaces with discrete variables. Any Bayesian model in which posterior inference is carried out through Markov chain Monte Carlo can be selected as the surrogate model in SBBO. In applications involving combinatorial optimization, we demonstrate empirically the effectiveness of SBBO method using various choices of surrogate models.

Fair machine learning aims to prevent discrimination against individuals or sub-populations based on sensitive attributes such as gender and race. In recent years, causal inference methods have been increasingly used in fair machine learning to measure unfairness by causal effects. However, current methods assume that the true causal graph is given, which is often not true in real-world applications. To address this limitation, this paper proposes a framework for achieving causal fairness based on the notion of interventions when the true causal graph is partially known. The proposed approach involves modeling fair prediction using a Partially Directed Acyclic Graph (PDAG), specifically, a class of causal DAGs that can be learned from observational data combined with domain knowledge. The PDAG is used to measure causal fairness, and a constrained optimization problem is formulated to balance between fairness and accuracy. Results on both simulated and real-world datasets demonstrate the effectiveness of this method.

One important task in causal discovery is the recovery of a topological ordering of the underlying graph, which in the context of causality is an ordering of the nodes which places causes before effects. Other than the importance of such ordering in its own right, it is also highly useful for discovering the full graph [Teyssier and Koller, 2005]. A topological ordering which doesn't unnecessarily break all ties is called a layering [Tamassia, 2013]. Given a graph, repeated removal of sources or sinks yields a layering: we denote these algorithms as repeated-SOUrceRemoval (SOUR) and repeatedSInkRemoval (SIR), both are simple and probably known variants of Kahn's Algorithm [Kahn, 1962]. Of course, in causal discovery, we are not given the graph, so implementing SOUR/SIR is not straightforward. In this paper, we propose a new method for causal discovery of layerings of discrete random variables, which implements SOUR/SIR without direct access to the graph, but with access to a conditional entropy oracle for the data instead. We show that, under some assumptions, we can separate sources from non-sources and sinks from non-sinks by comparing their conditional entropy (with appropriate conditioning) to their unconditional noise entropy. Specifically, when repeatedly removing sources and conditioning on all removed variables, we show that the conditional entropy of new sources equals the conditional entropy of their noise, while the conditional entropy of non-sources is larger than the entropy of their noise.

Optimal decision-making presents a significant challenge for autonomous systems operating in uncertain, stochastic and time-varying environments. Environmental variability over time can significantly impact the system's optimal decision making strategy for mission completion. To model such environments, our work combines the previous notion of Time-Varying Markov Decision Processes (TVMDP) with partial observability and introduces Time-Varying Partially Observable Markov Decision Processes (TV-POMDP). We propose a two-pronged approach to accurately estimate and plan within the TV-POMDP: 1) Memory Prioritized State Estimation (MPSE), which leverages weighted memory to provide more accurate time-varying transition estimates; and 2) an MPSE-integrated planning strategy that optimizes long-term rewards while accounting for temporal constraint. We validate the proposed framework and algorithms using simulations and hardware, with robots exploring a partially observable, time-varying environments. Our results demonstrate superior performance over standard methods, highlighting the framework's effectiveness in stochastic, uncertain, time-varying domains.

The impact of randomness on model training is poorly understood. How do differences in data order and initialization actually manifest in the model, such that some training runs outperform others or converge faster? Furthermore, how can we interpret the resulting training dynamics and the phase transitions that characterize different trajectories? To understand the effect of randomness on the dynamics and outcomes of neural network training, we train models multiple times with different random seeds and compute a variety of metrics throughout training, such as the $L_2$ norm, mean, and variance of the neural network's weights. We then fit a hidden Markov model (HMM) over the resulting sequences of metrics. The HMM represents training as a stochastic process of transitions between latent states, providing an intuitive overview of significant changes during training. Using our method, we produce a low-dimensional, discrete representation of training dynamics on grokking tasks, image classification, and masked language modeling. We use the HMM representation to study phase transitions and identify latent "detour" states that slow down convergence.

This paper addresses the importance of Knowledge Structure (KS) and Knowledge Tracing (KT) in improving the recommendation of educational content in intelligent tutoring systems. The KS represents the relations between different Knowledge Components (KCs), while KT predicts a learner's success based on her past history. The contribution of this research includes proposing a KT model that incorporates the KS as a learnable parameter, enabling the discovery of the underlying KS from learner trajectories. The quality of the uncovered KS is assessed by using it to recommend content and evaluating the recommendation algorithm with simulated students.

In software engineering, deep learning models are increasingly deployed for critical tasks such as bug detection and code review. However, overfitting remains a challenge that affects the quality, reliability, and trustworthiness of software systems that utilize deep learning models. Overfitting can be (1) prevented (e.g., using dropout or early stopping) or (2) detected in a trained model (e.g., using correlation-based approaches). Both overfitting detection and prevention approaches that are currently used have constraints (e.g., requiring modification of the model structure, and high computing resources). In this paper, we propose a simple, yet powerful approach that can both detect and prevent overfitting based on the training history (i.e., validation losses). Our approach first trains a time series classifier on training histories of overfit models. This classifier is then used to detect if a trained model is overfit. In addition, our trained classifier can be used to prevent overfitting by identifying the optimal point to stop a model's training. We evaluate our approach on its ability to identify and prevent overfitting in real-world samples. We compare our approach against correlation-based detection approaches and the most commonly used prevention approach (i.e., early stopping). Our approach achieves an F1 score of 0.91 which is at least 5% higher than the current best-performing non-intrusive overfitting detection approach. Furthermore, our approach can stop training to avoid overfitting at least 32% of the times earlier than early stopping and has the same or a better rate of returning the best model.

Through examples of coordinate and probability transformation between different distributions, the basic principle of normalizing flow is introduced in a simple and concise manner. From the perspective of the distribution of random variable function, the essence of probability transformation is explained, and the scaling factor Jacobian determinant of probability transformation is introduced. Treating the dataset as a sample from the population, obtaining normalizing flow is essentially through sampling surveys to statistically infer the numerical features of the population, and then the loss function is established by using the maximum likelihood estimation method. This article introduces how normalizing flow cleverly solves the two major application challenges of high-dimensional matrix determinant calculation and neural network reversible transformation. Using symmetric structured image dataset of three-span beam bridge, arch bridge, cable-stayed bridge and suspension bridge, constructing and training normalizing flow based on the Glow API in the TensorFlow Probability library. The model can smoothly transform the complex distribution of the bridge dataset into a standard normal distribution, and from the obtained latent space sampling, it can generate new bridge types that are different from the training dataset.

Causal and counterfactual reasoning are emerging directions in data science that allow us to reason about hypothetical scenarios. This is particularly useful in domains where experimental data are usually not available. In the context of environmental and ecological sciences, causality enables us, for example, to predict how an ecosystem would respond to hypothetical interventions. A structural causal model is a class of probabilistic graphical models for causality, which, due to its intuitive nature, can be easily understood by experts in multiple fields. However, certain queries, called unidentifiable, cannot be calculated in an exact and precise manner. This paper proposes applying a novel and recent technique for bounding unidentifiable queries within the domain of socioecological systems. Our findings indicate that traditional statistical analysis, including probabilistic graphical models, can identify the influence between variables. However, such methods do not offer insights into the nature of the relationship, specifically whether it involves necessity or sufficiency. This is where counterfactual reasoning becomes valuable.