We propose a method for the classification of objects that are structured as random trees. Our aim is to model a distribution over the node label assignments in settings where the tree data structure is associated with node attributes (typically high dimensional embeddings). The tree topology is not predetermined and none of the label assignments are present during inference. Other methods that produce a distribution over node label assignment in trees (or more generally in graphs) either assume conditional independence of the label assignment, operate on a fixed graph topology, or require part of the node labels to be observed. Our method defines a Markov Network with the corresponding topology of the random tree and an associated Gibbs distribution. We parameterize the Gibbs distribution with a Graph Neural Network that operates on the random tree and the node embeddings. This allows us to estimate the likelihood of node assignments for a given random tree and use MCMC to sample from the distribution of node assignments. We evaluate our method on the tasks of node classification in trees on the Stanford Sentiment Treebank dataset. Our method outperforms the baselines on this dataset, demonstrating its effectiveness for modeling joint distributions of node labels in random trees.

Binary classification involves predicting the label of an instance based on whether the model score for the positive class exceeds a threshold chosen based on the application requirements (e.g., maximizing recall for a precision bound). However, model scores are often not aligned with the true positivity rate. This is especially true when the training involves a differential sampling across classes or there is distributional drift between train and test settings. In this paper, we provide theoretical analysis and empirical evidence of the dependence of model score estimation bias on both uncertainty and score itself. Further, we formulate the decision boundary selection in terms of both model score and uncertainty, prove that it is NP-hard, and present algorithms based on dynamic programming and isotonic regression. Evaluation of the proposed algorithms on three real-world datasets yield 25%-40% gain in recall at high precision bounds over the traditional approach of using model score alone, highlighting the benefits of leveraging uncertainty.

Causal discovery from observational data is pivotal for deciphering complex relationships. Causal Structure Learning (CSL), which focuses on deriving causal Directed Acyclic Graphs (DAGs) from data, faces challenges due to vast DAG spaces and data sparsity. The integration of Large Language Models (LLMs), recognized for their causal reasoning capabilities, offers a promising direction to enhance CSL by infusing it with knowledge-based causal inferences. However, existing approaches utilizing LLMs for CSL have encountered issues, including unreliable constraints from imperfect LLM inferences and the computational intensity of full pairwise variable analyses. In response, we introduce the Iterative LLM Supervised CSL (ILS-CSL) framework. ILS-CSL innovatively integrates LLM-based causal inference with CSL in an iterative process, refining the causal DAG using feedback from LLMs. This method not only utilizes LLM resources more efficiently but also generates more robust and high-quality structural constraints compared to previous methodologies. Our comprehensive evaluation across eight real-world datasets demonstrates ILS-CSL's superior performance, setting a new standard in CSL efficacy and showcasing its potential to significantly advance the field of causal discovery. The codes are available at \url{https://github.com/tyMadara/ILS-CSL}.

For a multi-attribute decision making (MADM) problem, the information of alternatives under different attributes is given in the form of intuitionistic fuzzy number(IFN). Intuitionistic fuzzy set (IFS) plays an important role in dealing with un-certain and incomplete information. The similarity measure of intuitionistic fuzzy sets (IFSs) has always been a research hotspot. A new similarity measure of IFSs based on the projection technology and cosine similarity measure, which con-siders the direction and length of IFSs at the same time, is first proposed in this paper. The objective of the presented pa-per is to develop a MADM method and medical diagnosis method under IFS using the projection technology and cosine similarity measure. Some examples are used to illustrate the comparison results of the proposed algorithm and some exist-ing methods. The comparison result shows that the proposed algorithm is effective and can identify the optimal scheme accurately. In medical diagnosis area, it can be used to quickly diagnose disease. The proposed method enriches the exist-ing similarity measure methods and it can be applied to not only IFSs, but also other interval-valued intuitionistic fuzzy sets(IVIFSs) as well.

Over the last decades, many prognostic models based on artificial intelligence techniques have been used to provide detailed predictions in healthcare. Unfortunately, the real-world observational data used to train and validate these models are almost always affected by biases that can strongly impact the outcomes validity: two examples are values missing not-at-random and selection bias. Addressing them is a key element in achieving transportability and in studying the causal relationships that are critical in clinical decision making, going beyond simpler statistical approaches based on probabilistic association. In this context, we propose a novel approach that combines selection diagrams, missingness graphs, causal discovery and prior knowledge into a single graphical model to estimate the cardiovascular risk of adolescent and young females who survived breast cancer. We learn this model from data comprising two different cohorts of patients. The resulting causal network model is validated by expert clinicians in terms of risk assessment, accuracy and explainability, and provides a prognostic model that outperforms competing machine learning methods.

Autonomous materials research labs require the ability to combine and learn from diverse data streams. This is especially true for learning material synthesis-process-structure-property relationships, key to accelerating materials optimization and discovery as well as accelerating mechanistic understanding. We present the Synthesis-process-structure-property relAtionship coreGionalized lEarner (SAGE) algorithm. A fully Bayesian algorithm that uses multimodal coregionalization to merge knowledge across data sources to learn synthesis-process-structure-property relationships. SAGE outputs a probabilistic posterior for the relationships including the most likely relationships given the data.

We consider a human-assisted autonomy sensor fusion for dynamic target localization in a Bayesian framework. To compensate for the shortcomings of an autonomous tracking system, we propose to collect spatial sensing information from human operators who visually monitor the target and can provide target localization information in the form of free sketches encircling the area where the target is located. Our focus in this paper is to construct an adaptive probabilistic model for human-provided inputs where the adaption terms capture the level of reliability of the human inputs. The next contribution of this paper is a novel joint Bayesian learning method to fuse human and autonomous sensor inputs in a manner that the dynamic changes in human detection reliability are also captured and accounted for. A unique aspect of this Bayesian modeling framework is its analytical closed-form update equations, endowing our method with significant computational efficiency. Simulations demonstrate our results.

This paper addresses the problem of enabling a robot to search for a semantic object, i.e., an object with a semantic label, in an unknown and GPS-denied environment. For the robot in the unknown environment to detect and find the target semantic object, it must perform simultaneous localization and mapping (SLAM) at both geometric and semantic levels using its onboard sensors while planning and executing its motion based on the ever-updated SLAM results. In other words, the robot must be able to conduct simultaneous localization, semantic mapping, motion planning, and execution in real-time in the presence of sensing and motion uncertainty. This is an open problem as it combines semantic SLAM based on perception and real-time motion planning and execution under uncertainty. Moreover, the goals of the robot motion change on the fly depending on whether and how the robot can detect the target object. We propose a novel approach to tackle the problem, leveraging semantic SLAM, Bayesian Networks, Markov Decision Process, and Real-Time Dynamic Programming. The results in simulation and real experiments demonstrate the effectiveness and efficiency of our approach.

Uncertainty quantification (UQ) in scientific machine learning (SciML) becomes increasingly critical as neural networks (NNs) are being widely adopted in addressing complex problems across various scientific disciplines. Representative SciML models are physics-informed neural networks (PINNs) and neural operators (NOs). While UQ in SciML has been increasingly investigated in recent years, very few works have focused on addressing the uncertainty caused by the noisy inputs, such as spatial-temporal coordinates in PINNs and input functions in NOs. The presence of noise in the inputs of the models can pose significantly more challenges compared to noise in the outputs of the models, primarily due to the inherent nonlinearity of most SciML algorithms. As a result, UQ for noisy inputs becomes a crucial factor for reliable and trustworthy deployment of these models in applications involving physical knowledge. To this end, we introduce a Bayesian approach to quantify uncertainty arising from noisy inputs-outputs in PINNs and NOs. We show that this approach can be seamlessly integrated into PINNs and NOs, when they are employed to encode the physical information. PINNs incorporate physics by including physics-informed terms via automatic differentiation, either in the loss function or the likelihood, and often take as input the spatial-temporal coordinate. Therefore, the present method equips PINNs with the capability to address problems where the observed coordinate is subject to noise. On the other hand, pretrained NOs are also commonly employed as equation-free surrogates in solving differential equations and Bayesian inverse problems, in which they take functions as inputs. The proposed approach enables them to handle noisy measurements for both input and output functions with UQ.

It is a critical challenge to simultaneously gain high interpretability and efficiency with the current schemes of deep machine learning (ML). Tensor network (TN), which is a well-established mathematical tool originating from quantum mechanics, has shown its unique advantages on developing efficient ``white-box'' ML schemes. Here, we give a brief review on the inspiring progresses made in TN-based ML. On one hand, interpretability of TN ML is accommodated with the solid theoretical foundation based on quantum information and many-body physics. On the other hand, high efficiency can be rendered from the powerful TN representations and the advanced computational techniques developed in quantum many-body physics. With the fast development on quantum computers, TN is expected to conceive novel schemes runnable on quantum hardware, heading towards the ``quantum artificial intelligence'' in the forthcoming future.