Generative Flow Networks (GFlowNets) are a class of generative models that sample objects in proportion to a specified reward function through a learned policy. They can be trained either on-policy or off-policy, needing a balance between exploration and exploitation for fast convergence to a target distribution. While exploration strategies for discrete GFlowNets have been studied, exploration in the continuous case remains to be investigated, despite the potential for novel exploration algorithms due to the local connectedness of continuous domains. Here, we introduce Adapted Metadynamics, a variant of metadynamics that can be applied to arbitrary black-box reward functions on continuous domains. We use Adapted Metadynamics as an exploration strategy for continuous GFlowNets. We show three continuous domains where the resulting algorithm, MetaGFN, accelerates convergence to the target distribution and discovers more distant reward modes than previous off-policy exploration strategies used for GFlowNets.

Human pose estimation involves detecting and tracking the positions of various body parts using input data from sources such as images, videos, or motion and inertial sensors. This paper presents a novel approach to human pose estimation using machine learning algorithms to predict human posture and translate them into robot motion commands using ultra-wideband (UWB) nodes, as an alternative to motion sensors. The study utilizes five UWB sensors implemented on the human body to enable the classification of still poses and more robust posture recognition. This approach ensures effective posture recognition across a variety of subjects. These range measurements serve as input features for posture prediction models, which are implemented and compared for accuracy. For this purpose, machine learning algorithms including K-Nearest Neighbors (KNN), Support Vector Machine (SVM), and deep Multi-Layer Perceptron (MLP) neural network are employed and compared in predicting corresponding postures. We demonstrate the proposed approach for real-time control of different mobile/aerial robots with inference implemented in a ROS 2 node. Experimental results demonstrate the efficacy of the approach, showcasing successful prediction of human posture and corresponding robot movements with high accuracy.

This study explores the use of historical data from Global Navigation Satellite System (GNSS) scintillation monitoring receivers to predict the severity of amplitude scintillation, a phenomenon where electron density irregularities in the ionosphere cause fluctuations in GNSS signal power. These fluctuations can be measured using the S4 index, but real-time data is not always available. The research focuses on developing a machine learning (ML) model that can forecast the intensity of amplitude scintillation, categorizing it into low, medium, or high severity levels based on various time and space-related factors. Among six different ML models tested, the XGBoost model emerged as the most effective, demonstrating a remarkable 77% prediction accuracy when trained with a balanced dataset. This work underscores the effectiveness of machine learning in enhancing the reliability and performance of GNSS signals and navigation systems by accurately predicting amplitude scintillation severity.

Anomaly detection is a long-standing challenge in manufacturing systems. Traditionally, anomaly detection has relied on human inspectors. However, 3D point clouds have gained attention due to their robustness to environmental factors and their ability to represent geometric data. Existing 3D anomaly detection methods generally fall into two categories. One compares scanned 3D point clouds with design files, assuming these files are always available. However, such assumptions are often violated in many real-world applications where model-free products exist, such as fresh produce (i.e., ``Cookie", ``Potato", etc.), dentures, bone, etc. The other category compares patches of scanned 3D point clouds with a library of normal patches named memory bank. However, those methods usually fail to detect incomplete shapes, which is a fairly common defect type (i.e., missing pieces of different products). The main challenge is that missing areas in 3D point clouds represent the absence of scanned points. This makes it infeasible to compare the missing region with existing point cloud patches in the memory bank. To address these two challenges, we proposed a unified, unsupervised 3D anomaly detection framework capable of identifying all types of defects on model-free products. Our method integrates two detection modules: a feature-based detection module and a reconstruction-based detection module. Feature-based detection covers geometric defects, such as dents, holes, and cracks, while the reconstruction-based method detects missing regions. Additionally, we employ a One-class Support Vector Machine (OCSVM) to fuse the detection results from both modules. The results demonstrate that (1) our proposed method outperforms the state-of-the-art methods in identifying incomplete shapes and (2) it still maintains comparable performance with the SOTA methods in detecting all other types of anomalies.

This thesis provides methods and analysis of models which make progress on this goal. The techniques outlined are task agnostic, and should provide benefit when used with nearly any transformer LM. We introduce two new finetuning methods which add new capabilities to the models they are used on. The first adds a recurrence mechanism, which removes the fixed-window sized constraint and improves the efficiency of a transformer decoder. The second allows masked language models (MLMs) to be used for initialization of both the encoder and decoder of a non-autoregressive sequence-to-sequence transformer, opening up generative applications of models which were previously only used for natural language understanding tasks. We also introduce two new techniques for improving the quality of predictions of any transformer decoder without additional finetuning. One, hidden state optimization, can be applied to any transformer decoder to improve the quality of predictions at inference time, especially for few-shot classification. The other, conditional beam search, allows practitioners to search for natural language generation (NLG) model outputs with high likelihood while conditioning on the event that the output is not degenerate (e.g. empty, repetitive, etc.). Finally, we provide theoretical and empirical insights on the divergence of model-likelihood and output quality which has widely been observed in prior work. These insights apply to any model which represents a distribution over text, and apply to language models which are not transformers or even autoregressive. We argue that the NLP community has, to some extent, misunderstood the implications of these findings, and encourage a point of view which has more nuance.

Novel machine learning methods for tabular data generation are often developed on small datasets which do not match the scale required for scientific applications. We investigate a recent proposal to use XGBoost as the function approximator in diffusion and flow-matching models on tabular data, which proved to be extremely memory intensive, even on tiny datasets. In this work, we conduct a critical analysis of the existing implementation from an engineering perspective, and show that these limitations are not fundamental to the method; with better implementation it can be scaled to datasets 370x larger than previously used. Our efficient implementation also unlocks scaling models to much larger sizes which we show directly leads to improved performance on benchmark tasks. We also propose algorithmic improvements that can further benefit resource usage and model performance, including multi-output trees which are well-suited to generative modeling. Finally, we present results on large-scale scientific datasets derived from experimental particle physics as part of the Fast Calorimeter Simulation Challenge. Code is available at https://github.com/layer6ai-labs/calo-forest.

The rapid growth of Internet of Things (IoT) devices necessitates efficient data compression techniques to handle the vast amounts of data generated by these devices. In this context, chemiresistive sensor arrays (CSAs), a simple-to-fabricate but crucial component in IoT systems, generate large volumes of data due to their simultaneous multi-sensor operations. Classical principal component analysis (cPCA) methods, a common solution to the data compression challenge, face limitations in preserving critical information during dimensionality reduction. In this study, we present quantum principal component analysis (qPCA) as a superior alternative to enhance information retention. Our findings demonstrate that qPCA outperforms cPCA in various back-end machine-learning modeling tasks, particularly in low-dimensional scenarios when limited Quantum bits (qubits) can be accessed. These results underscore the potential of noisy intermediate-scale quantum (NISQ) computers, despite current qubit limitations, to revolutionize data processing in real-world IoT applications, particularly in enhancing the efficiency and reliability of CSA data compression and readout.

Machine learning (ML) classifiers serve as essential tools facilitating classification and prediction across various domains. The performance of these algorithms should be known to ensure their reliable application. In certain fields, receiver operating characteristic and precision-recall curves are frequently employed to assess machine learning algorithms without accounting for the impact of process parameters. However, it may be essential to evaluate the performance of these algorithms in relation to such parameters. As a performance evaluation metric capable of considering the effects of process parameters, this paper uses a modified probability of detection (POD) approach to assess the reliability of ML-based algorithms. As an example, the POD-based approach is employed to assess ML models used for predicting the lane changing behavior of a vehicle driver. The time remaining to the predicted (and therefore unknown) lane changing event is considered as process parameter. The hit/miss approach to POD is taken here and modified by considering the probability of lane changing derived from ML algorithms at each time step, and obtaining the final result of the analysis accordingly. This improves the reliability of results compared to the standard hit/miss approach, which considers the outcome of the classifiers as either 0 or 1, while also simplifying evaluation compared to the \^a versus a approach. Performance evaluation results of the proposed approach are compared with those obtained with the standard hit/miss approach and a pre-developed \^a versus a approach to validate the effectiveness of the proposed method. The comparison shows that this method provides an averaging conservative behavior with the advantage of enhancing the reliability of the hit/miss approach to POD while retaining its simplicity.

Imitation learning (IL) algorithms typically distill experience into parametric behavior policies to mimic expert demonstrations. Despite their effectiveness, previous methods often struggle with data efficiency and accurately aligning the current state with expert demonstrations, especially in deformable mobile manipulation tasks characterized by partial observations and dynamic object deformations. In this paper, we introduce \textbf{DeMoBot}, a novel IL approach that directly retrieves observations from demonstrations to guide robots in \textbf{De}formable \textbf{Mo}bile manipulation tasks. DeMoBot utilizes vision foundation models to identify relevant expert data based on visual similarity and matches the current trajectory with demonstrated trajectories using trajectory similarity and forward reachability constraints to select suitable sub-goals. Once a goal is determined, a motion generation policy will guide the robot to the next state until the task is completed. We evaluated DeMoBot using a Spot robot in several simulated and real-world settings, demonstrating its effectiveness and generalizability. With only 20 demonstrations, DeMoBot significantly outperforms the baselines, reaching a 50\% success rate in curtain opening and 85\% in gap covering in simulation.

In optoelectronics, designing free-form metasurfaces presents significant challenges, particularly in achieving high electromagnetic response fidelity due to the complex relationship between physical structures and electromagnetic behaviors. A key difficulty arises from the one-to-many mapping dilemma, where multiple distinct physical structures can yield similar electromagnetic responses, complicating the design process. This paper introduces a novel generative framework, the Anchor-controlled Generative Adversarial Network (AcGAN), which prioritizes electromagnetic fidelity while effectively navigating the one-to-many challenge to create structurally diverse metasurfaces. Unlike existing methods that mainly replicate physical appearances, AcGAN excels in generating a variety of structures that, despite their differences in physical attributes, exhibit similar electromagnetic responses, thereby accommodating fabrication constraints and tolerances. We introduce the Spectral Overlap Coefficient (SOC) as a precise metric to measure the spectral fidelity between generated designs and their targets. Additionally, a cluster-guided controller refines input processing, ensuring multi-level spectral integration and enhancing electromagnetic fidelity. The integration of AnchorNet into our loss function facilitates a nuanced assessment of electromagnetic qualities, supported by a dynamic loss weighting strategy that optimizes spectral alignment. Collectively, these innovations represent a transformative stride in metasurface inverse design, advancing electromagnetic response-oriented engineering and overcoming the complexities of the one-to-many mapping dilemma.Empirical evidence underscores AcGAN's effectiveness in streamlining the design process, achieving superior electromagnetic precision, and fostering a broad spectrum of design possibilities.