-- In recent years, vision-language models (VLMs) have advanced open-vocabulary mapping, enabling mobile robots to simultaneously achieve environmental reconstruction and high-level semantic understanding. While integrated object cognition helps mitigate semantic ambiguity in point-wise feature maps, efficiently obtaining rich semantic understanding and robust incremental reconstruction at the instance-level remains challenging. T o address these challenges, we introduce OpenV ox, a real-time incremental open-vocabulary probabilistic instance voxel representation. In the front-end, we design an efficient instance segmentation and comprehension pipeline that enhances language reasoning through encoding captions. In the back-end, we implement probabilistic instance voxels and formulate the cross-frame incremental fusion process into two subtasks: instance association and live map evolution, ensuring robustness to sensor and segmentation noise. Extensive evaluations across multiple datasets demonstrate that OpenV ox achieves state-of-the-art performance in zero-shot instance segmentation, semantic segmentation, and open-vocabulary retrieval. The project page of OpenV ox is available at https://open-vox.github.io/ . I. INTRODUCTION Accurate 3D scene reconstruction and understanding are essential for robotic downstream tasks.

To make effective decisions, it is important to have a thorough understanding of the causal relationships among actions, environments, and outcomes. This review aims to surface three crucial aspects of decision-making through a causal lens: 1) the discovery of causal relationships through causal structure learning, 2) understanding the impacts of these relationships through causal effect learning, and 3) applying the knowledge gained from the first two aspects to support decision making via causal policy learning. Moreover, we identify challenges that hinder the broader utilization of causal decision-making and discuss recent advances in overcoming these challenges. Finally, we provide future research directions to address these challenges and to further enhance the implementation of causal decision-making in practice, with real-world applications illustrated based on the proposed causal decision-making. We aim to offer a comprehensive methodology and practical implementation framework by consolidating various methods in this area into a Python-based collection. URL: https://causaldm.github.io/Causal-Decision-Making.

Machine learning (ML) has been playing important roles in drug discovery in the past years by providing (pre-)screening tools for prioritising chemical compounds to pass through wet lab experiments. One of the main ML tasks in drug discovery is to build quantitative structure-activity relationship (QSAR) models, associating the molecular structure of chemical compounds with an activity or property. These properties -- including absorption, distribution, metabolism, excretion and toxicity (ADMET) -- are essential to model compound behaviour, activity and interactions in the organism. Although several methods exist, the majority of them do not provide an appropriate model's personalisation, yielding to bias and lack of generalisation to new data since the chemical space usually shifts from application to application. This fact leads to low predictive performance when completely new data is being tested by the model. The area of Automated Machine Learning (AutoML) emerged aiming to solve this issue, outputting tailored ML algorithms to the data at hand. Although an important task, AutoML has not been practically used to assist cheminformatics and computational chemistry researchers often, with just a few works related to the field. To address these challenges, this work introduces Auto-ADMET, an interpretable evolutionary-based AutoML method for chemical ADMET property prediction. Auto-ADMET employs a Grammar-based Genetic Programming (GGP) method with a Bayesian Network Model to achieve comparable or better predictive performance against three alternative methods -- standard GGP method, pkCSM and XGBOOST model -- on 12 benchmark chemical ADMET property prediction datasets. The use of a Bayesian Network model on Auto-ADMET's evolutionary process assisted in both shaping the search procedure and interpreting the causes of its AutoML performance.

Network tomography is a crucial problem in network monitoring, where the observable path performance metric values are used to infer the unobserved ones, making it essential for tasks such as route selection, fault diagnosis, and traffic control. However, most existing methods either assume complete knowledge of network topology and metric formulas-an unrealistic expectation in many real-world scenarios with limited observability-or rely entirely on black-box end-to-end models. To tackle this, in this paper, we argue that a good network tomography requires synergizing the knowledge from both data and appropriate inductive bias from (partial) prior knowledge. To see this, we propose Deep Network Tomography (DeepNT), a novel framework that leverages a path-centric graph neural network to predict path performance metrics without relying on predefined hand-crafted metrics, assumptions, or the real network topology. The path-centric graph neural network learns the path embedding by inferring and aggregating the embeddings of the sequence of nodes that compose this path. Training path-centric graph neural networks requires learning the neural netowrk parameters and network topology under discrete constraints induced by the observed path performance metrics, which motivates us to design a learning objective that imposes connectivity and sparsity constraints on topology and path performance triangle inequality on path performance. Extensive experiments on real-world and synthetic datasets demonstrate the superiority of DeepNT in predicting performance metrics and inferring graph topology compared to state-of-the-art methods.

Linear representation hypothesis posits that high-level concepts are encoded as linear directions in the representation spaces of LLMs. Park et al. (2024) formalize this notion by unifying multiple interpretations of linear representation, such as 1-dimensional subspace representation and interventions, using a causal inner product. However, their framework relies on single-token counterfactual pairs and cannot handle ambiguous contrasting pairs, limiting its applicability to complex or context-dependent concepts. We introduce a new notion of binary concepts as unit vectors in a canonical representation space, and utilize LLMs' (neural) activation differences along with maximum likelihood estimation (MLE) to compute concept directions (i.e., steering vectors). Our method, Sum of Activation-base Normalized Difference (SAND), formalizes the use of activation differences modeled as samples from a von Mises-Fisher (vMF) distribution, providing a principled approach to derive concept directions. We extend the applicability of Park et al. (2024) by eliminating the dependency on unembedding representations and single-token pairs. Through experiments with LLaMA models across diverse concepts and benchmarks, we demonstrate that our lightweight approach offers greater flexibility, superior performance in activation engineering tasks like monitoring and manipulation.

Explainable AI is increasingly employing argumentation methods to facilitate interactive explanations between AI agents and human users. While existing approaches typically rely on predetermined human user models, there remains a critical gap in dynamically learning and updating these models during interactions. In this paper, we present a framework that enables AI agents to adapt their understanding of human users through argumentation-based dialogues. Our approach, called Persona, draws on prospect theory and integrates a probability weighting function with a Bayesian belief update mechanism that refines a probability distribution over possible human models based on exchanged arguments. Through empirical evaluations with human users in an applied argumentation setting, we demonstrate that Persona effectively captures evolving human beliefs, facilitates personalized interactions, and outperforms state-of-the-art methods.

This tension in assumptions is readily apparent in standard human-AI alignment methods--such as reinforcement learning from human feedback (RLHF) [6, 7, 8] and direct preference optimization (DPO) [9]--which assume a single reward function captures the interests of the entire population. We examine the limits of the preference homogeneity assumption when individuals belong to user types, each characterized by a specific reward function. Recent work has shown that in this setting, the homogeneity assumption can lead to unexpected behavior [10, 11, 12]. One challenge is that, under this assumption, learning from human preferences becomes unrealizable, as a single reward function cannot capture the complexity of population preferences with multiple reward functions [13, 14]. Both RLHF and DPO rely on maximum likelihood estimation (MLE) to optimize the reward or policy. Unrealizability implies their likelihood functions cannot fully represent the underlying preference data distribution, resulting in a nontrivial optimal MLE solution. From another perspective, learning a universal reward or policy from a heterogeneous population inherently involves an aggregation of diverse interests, and this aggregation is nontrivial. In the quest for a single policy that accommodates a heterogeneous population with multiple user types, we show that the only universal reward yielding a well-defined alignment problem is an affine Equal contribution Work done while visiting Harvard Equal advising 1 arXiv:2502.16320v1

The accurate representation of epistemic uncertainty is a challenging yet essential task in machine learning. A widely used representation corresponds to convex sets of probabilistic predictors, also known as credal sets. One popular way of constructing these credal sets is via ensembling or specialized supervised learning methods, where the epistemic uncertainty can be quantified through measures such as the set size or the disagreement among members. In principle, these sets should contain the true data-generating distribution. As a necessary condition for this validity, we adopt the strongest notion of calibration as a proxy. Concretely, we propose a novel statistical test to determine whether there is a convex combination of the set's predictions that is calibrated in distribution. In contrast to previous methods, our framework allows the convex combination to be instance dependent, recognizing that different ensemble members may be better calibrated in different regions of the input space. Moreover, we learn this combination via proper scoring rules, which inherently optimize for calibration. Building on differentiable, kernel-based estimators of calibration errors, we introduce a nonparametric testing procedure and demonstrate the benefits of capturing instance-level variability on of synthetic and real-world experiments.

Thus, the observed data can be summarized into a sequence of "observation-action-reward" triplets ( O t, A t, R t) t 0. It is worth noting that the observation O t at each time step is not equivalent to the environment's state S t. Indeed, the state can be viewed as a special observation with the Markov property, and we will elaborate on the difference between the two later. Policies: The goal of RL is to learn an optimal policy π based on the observation-action-reward triplets to maximize the agent's cumulative reward. Mathematically, a policy is defined as a conditional probability distribution function mapping the agent's observed data history to the action space. It specifies the probability of the agent taking different actions at each time step. Below, we introduce three types of policies (see Figure 1(b) for a visualization of their relationships): (1) History-dependent policy: This is the most general form of policy. At each time t, we define H t as the set containing the current observation O t and all prior historical information (O i, A i, R i) i

Theory of Mind (ToM), the ability to understand people's mental variables based on their behavior, is key to developing socially intelligent agents. Current approaches to Theory of Mind reasoning either rely on prompting Large Language Models (LLMs), which are prone to systematic errors, or use rigid, handcrafted Bayesian Theory of Mind (BToM) models, which are more robust but cannot generalize across different domains. In this work, we introduce AutoToM, an automated Bayesian Theory of Mind method for achieving open-ended machine Theory of Mind. AutoToM can operate in any domain, infer any mental variable, and conduct robust Theory of Mind reasoning of any order. Given a Theory of Mind inference problem, AutoToM first proposes an initial BToM model. It then conducts automated Bayesian inverse planning based on the proposed model, leveraging an LLM as the backend. Based on the uncertainty of the inference, it iteratively refines the model, by introducing additional mental variables and/or incorporating more timesteps in the context. Empirical evaluations across multiple Theory of Mind benchmarks demonstrate that AutoToM consistently achieves state-of-the-art performance, offering a scalable, robust, and interpretable approach to machine Theory of Mind.