Knowing the features of a complex system that are highly relevant to a particular target variable is of fundamental interest in many areas of science. Existing approaches are often limited to linear settings, sometimes lack guarantees, and in most cases, do not scale to the problem at hand, in particular to images. We propose DRCFS, a doubly robust feature selection method for identifying the causal features even in nonlinear and high dimensional settings. We provide theoretical guarantees, illustrate necessary conditions for our assumptions, and perform extensive experiments across a wide range of simulated and semi-synthetic datasets. DRCFS significantly outperforms existing state-of-the-art methods, selecting robust features even in challenging highly non-linear and high-dimensional problems.

Batch Bayesian optimisation and Bayesian quadrature have been shown to be sample-efficient methods of performing optimisation and quadrature where expensive-to-evaluate objective functions can be queried in parallel. However, current methods do not scale to large batch sizes -- a frequent desideratum in practice (e.g. drug discovery or simulation-based inference). We present a novel algorithm, SOBER, which permits scalable and diversified batch global optimisation and quadrature with arbitrary acquisition functions and kernels over discrete and mixed spaces. The key to our approach is to reformulate batch selection for global optimisation as a quadrature problem, which relaxes acquisition function maximisation (non-convex) to kernel recombination (convex). Bridging global optimisation and quadrature can efficiently solve both tasks by balancing the merits of exploitative Bayesian optimisation and explorative Bayesian quadrature. We show that SOBER outperforms 11 competitive baselines on 12 synthetic and diverse real-world tasks.

From a service perspective, Multi-Source Domain Adaptation (MSDA) is a promising scenario to adapt a deployed model to a client's dataset. It can provide adaptation without a target label and support the case where a source dataset is constructed from multiple domains. However, it is impractical, wherein its training heavily relies on prior domain information of the multi-source dataset -- how many domains exist and the domain label of each data sample. Moreover, MSDA requires both source and target datasets simultaneously (physically), causing storage limitations on the client device or data privacy issues by transferring client data to a server. For a more practical scenario of model adaptation from a service provider's point of view, we relax these constraints and present a novel problem scenario of Three-Free Domain Adaptation, namely TFDA, where 1) target labels, 2) source dataset, and mostly 3) source domain information (domain labels + the number of domains) are unavailable. Under the problem scenario, we propose a practical adaptation framework called FREEDOM. It leverages the power of the generative model, disentangling data into class and style aspects, where the style is defined as the class-independent information from the source data and designed with a nonparametric Bayesian approach. In the adaptation stage, FREEDOM aims to match the source class distribution with the target's under the philosophy that class distribution is consistent even if the style is different; after then, only part of the classification model is deployed as a personalized network. As a result, FREEDOM achieves state-of-the-art or comparable performance even without domain information, with reduced final model size on the target side, independent of the number of source domains.

Localizing mobile robotic nodes in indoor and GPS-denied environments is a complex problem, particularly in dynamic, unstructured scenarios where traditional cameras and LIDAR-based sensing and localization modalities may fail. Alternatively, wireless signal-based localization has been extensively studied in the literature yet primarily focuses on fingerprinting and feature-matching paradigms, requiring dedicated environment-specific offline data collection. We propose an online robot localization algorithm enabled by collaborative wireless sensor nodes to remedy these limitations. Our approach's core novelty lies in obtaining the Collaborative Direction of Arrival (CDOA) of wireless signals by exploiting the geometric features and collaboration between wireless nodes. The CDOA is combined with the Expectation Maximization (EM) and Particle Filter (PF) algorithms to calculate the Gaussian probability of the node's location with high efficiency and accuracy. The algorithm relies on RSSI-only data, making it ubiquitous to resource-constrained devices. We theoretically analyze the approach and extensively validate the proposed method's consistency, accuracy, and computational efficiency in simulations, real-world public datasets, as well as real robot demonstrations. The results validate the method's real-time computational capability and demonstrate considerably-high centimeter-level localization accuracy, outperforming relevant state-of-the-art localization approaches.

During the past decade, metal additive manufacturing (MAM) has experienced significant developments and gained much attention due to its ability to fabricate complex parts, manufacture products with functionally graded materials, minimize waste, and enable low-cost customization. Despite these advantages, predicting the impact of processing parameters on the characteristics of an MAM printed clad is challenging due to the complex nature of MAM processes. Machine learning (ML) techniques can help connect the physics underlying the process and processing parameters to the clad characteristics. In this study, we introduce a hybrid approach which involves utilizing the data provided by a calibrated multi-physics computational fluid dynamic (CFD) model and experimental research for preparing the essential big dataset, and then uses a comprehensive framework consisting of various ML models to predict and understand clad characteristics. We first compile an extensive dataset by fusing experimental data into the data generated using the developed CFD model for this study. This dataset comprises critical clad characteristics, including geometrical features such as width, height, and depth, labels identifying clad quality, and processing parameters. Second, we use two sets of processing parameters for training the ML models: machine setting parameters and physics-aware parameters, along with versatile ML models and reliable evaluation metrics to create a comprehensive and scalable learning framework for predicting clad geometry and quality. This framework can serve as a basis for clad characteristics control and process optimization. The framework resolves many challenges of conventional modeling methods in MAM by solving t the issue of data scarcity using a hybrid approach and introducing an efficient, accurate, and scalable platform for clad characteristics prediction and optimization.

We study actively labeling streaming data, where an active learner is faced with a stream of data points and must carefully choose which of these points to label via an expensive experiment. Such problems frequently arise in applications such as healthcare and astronomy. We first study a setting when the data's inputs belong to one of $K$ discrete distributions and formalize this problem via a loss that captures the labeling cost and the prediction error. When the labeling cost is $B$, our algorithm, which chooses to label a point if the uncertainty is larger than a time and cost dependent threshold, achieves a worst-case upper bound of $\widetilde{O}(B^{\frac{1}{3}} K^{\frac{1}{3}} T^{\frac{2}{3}})$ on the loss after $T$ rounds. We also provide a more nuanced upper bound which demonstrates that the algorithm can adapt to the arrival pattern, and achieves better performance when the arrival pattern is more favorable. We complement both upper bounds with matching lower bounds. We next study this problem when the inputs belong to a continuous domain and the output of the experiment is a smooth function with bounded RKHS norm. After $T$ rounds in $d$ dimensions, we show that the loss is bounded by $\widetilde{O}(B^{\frac{1}{d+3}} T^{\frac{d+2}{d+3}})$ in an RKHS with a squared exponential kernel and by $\widetilde{O}(B^{\frac{1}{2d+3}} T^{\frac{2d+2}{2d+3}})$ in an RKHS with a Mat\'ern kernel. Our empirical evaluation demonstrates that our method outperforms other baselines in several synthetic experiments and two real experiments in medicine and astronomy.

Since the success of Residual Network(ResNet), many of architectures of Convolutional Neural Networks(CNNs) have adopted skip connection. While the generalization performance of CNN with skip connection has been explained within the framework of Ensemble Learning, the dependency on the number of parameters have not been revealed. In this paper, we show that Bayesian free energy of Convolutional Neural Network both with and without skip connection in Bayesian learning. The upper bound of free energy of Bayesian CNN with skip connection does not depend on the oveparametrization and, the generalization error of Bayesian CNN has similar property.

Trajectory prediction modules are key enablers for safe and efficient planning of autonomous vehicles (AVs), particularly in highly interactive traffic scenarios. Recently, learning-based trajectory predictors have experienced considerable success in providing state-of-the-art performance due to their ability to learn multimodal behaviors of other agents from data. In this paper, we present an algorithm called multi-predictor fusion (MPF) that augments the performance of learning-based predictors by imbuing them with motion planners that are tasked with satisfying logic-based rules. MPF probabilistically combines learning- and rule-based predictors by mixing trajectories from both standalone predictors in accordance with a belief distribution that reflects the online performance of each predictor. In our results, we show that MPF outperforms the two standalone predictors on various metrics and delivers the most consistent performance.

A commonly observed pattern in machine learning models is an underprediction of the target feature, with the model's predicted target rate for members of a given category typically being lower than the actual target rate for members of that category in the training set. This underprediction is usually larger for members of minority groups; while income level is underpredicted for both men and women in the 'adult' dataset, for example, the degree of underprediction is significantly higher for women (a minority in that dataset). We propose that this pattern of underprediction for minorities arises as a predictable consequence of statistical inference on small samples. When presented with a new individual for classification, an ML model performs inference not on the entire training set, but on a subset that is in some way similar to the new individual, with sizes of these subsets typically following a power law distribution so that most are small (and with these subsets being necessarily smaller for the minority group). We show that such inference on small samples is subject to systematic and directional statistical bias, and that this bias produces the observed patterns of underprediction seen in ML models. Analysing a standard sklearn decision tree model's predictions on a set of over 70 subsets of the 'adult' and COMPAS datasets, we found that a bias prediction measure based on small-sample inference had a significant positive correlations (0.56 and 0.85) with the observed underprediction rate for these subsets.

In this paper, we study offline Reinforcement Learning with Human Feedback (RLHF) where we aim to learn the human's underlying reward and the MDP's optimal policy from a set of trajectories induced by human choices. RLHF is challenging for multiple reasons: large state space but limited human feedback, the bounded rationality of human decisions, and the off-policy distribution shift. In this paper, we focus on the Dynamic Discrete Choice (DDC) model for modeling and understanding human choices. DCC, rooted in econometrics and decision theory, is widely used to model a human decision-making process with forward-looking and bounded rationality. We propose a \underline{D}ynamic-\underline{C}hoice-\underline{P}essimistic-\underline{P}olicy-\underline{O}ptimization (DCPPO) method. \ The method involves a three-stage process: The first step is to estimate the human behavior policy and the state-action value function via maximum likelihood estimation (MLE); the second step recovers the human reward function via minimizing Bellman mean squared error using the learned value functions; the third step is to plug in the learned reward and invoke pessimistic value iteration for finding a near-optimal policy. With only single-policy coverage (i.e., optimal policy) of the dataset, we prove that the suboptimality of DCPPO almost matches the classical pessimistic offline RL algorithm in terms of suboptimality's dependency on distribution shift and dimension. To the best of our knowledge, this paper presents the first theoretical guarantees for off-policy offline RLHF with dynamic discrete choice model.