Teaching robots to fold, drape, or manipulate deformable objects such as cloths is fundamental to unlock a variety of applications ranging from healthcare to domestic and industrial environments [1]. While considerable progress has been made in rigid-object manipulation, manipulating deformables poses unique challenges, including infinite-dimensional state spaces, complex physical dynamics, and state estimation of self-occluded configurations [2]. Specifically, the problem of state estimation has led existing works on visual manipulation to either rely exclusively on 2D images, overlooking the cloth's 3D structure [3, 4, 5], or to use 3D representations that neglect valuable information in RGB observations [6, 7, 8]. Prior work on cloth state estimation often relies on 3D particle-based representations derived from depth sensors, including graphs [9, 10] and point clouds [11]. While point clouds effectively capture the object's observable state, they lack comprehensive structural information [6].

The indoor environment significantly impacts human health and well-being; enhancing health and reducing energy consumption in these settings is a central research focus. With the advancement of Information and Communication Technology (ICT), recommendation systems and reinforcement learning (RL) have emerged as promising approaches to induce behavioral changes to improve the indoor environment and energy efficiency of buildings. This study aims to employ text mining and Natural Language Processing (NLP) techniques to thoroughly examine the connections among these approaches in the context of human-building interaction and occupant context-aware support. The study analyzed 27,595 articles from the ScienceDirect database, revealing extensive use of recommendation systems and RL for space optimization, location recommendations, and personalized control suggestions. Furthermore, this review underscores the vast potential for expanding recommender systems and RL applications in buildings and indoor environments. Fields ripe for innovation include predictive maintenance, building-related product recommendation, and optimization of environments tailored for specific needs, such as sleep and productivity enhancements based on user feedback. The study also notes the limitations of the method in capturing subtle academic nuances. Future improvements could involve integrating and fine-tuning pre-trained language models to better interpret complex texts.

Effective process monitoring is increasingly vital in industrial automation for ensuring operational safety, necessitating both high accuracy and efficiency. Although Transformers have demonstrated success in various fields, their canonical form based on the self-attention mechanism is inadequate for process monitoring due to two primary limitations: (1) the step-wise correlations captured by self-attention mechanism are difficult to capture discriminative patterns in monitoring logs due to the lacking semantics of each step, thus compromising accuracy; (2) the quadratic computational complexity of self-attention hampers efficiency. To address these issues, we propose DeepFilter, a Transformer-style framework for process monitoring. The core innovation is an efficient filtering layer that excel capturing long-term and periodic patterns with reduced complexity. Equipping with the global filtering layer, DeepFilter enhances both accuracy and efficiency, meeting the stringent demands of process monitoring. Experimental results on real-world process monitoring datasets validate DeepFilter's superiority in terms of accuracy and efficiency compared to existing state-of-the-art models.

This study introduces SLLMBO, an innovative framework leveraging large language models (LLMs) for hyperparameter optimization (HPO), incorporating dynamic search space adaptability, enhanced parameter space exploitation, and a novel LLM-tree-structured parzen estimator (LLM-TPE) sampler. By addressing limitations in recent fully LLM-based methods and traditional bayesian optimization (BO), SLLMBO achieves more robust optimization. This comprehensive benchmarking evaluates multiple LLMs, including GPT-3.5-Turbo, GPT-4o, Claude-Sonnet-3.5, and Gemini-1.5-Flash, extending prior work and establishing SLLMBO as the first framework to benchmark a diverse set of LLMs for HPO. By integrating LLMs' established strengths in parameter initialization with the exploitation abilities demonstrated in this study, alongside TPE's exploration capabilities, the LLM-TPE sampler achieves a balanced exploration-exploitation trade-off, reduces API costs, and mitigates premature early stoppings for more effective parameter searches. Across 14 tabular tasks in classification and regression, the LLM-TPE sampler outperformed fully LLM-based methods and achieved superior results over BO methods in 9 tasks. Testing early stopping in budget-constrained scenarios demonstrated competitive performance, indicating that LLM-based methods generally benefit from extended iterations for optimal results. This work lays the foundation for future research exploring open-source LLMs, reproducibility of LLM results in HPO, and benchmarking SLLMBO on complex datasets, such as image classification, segmentation, and machine translation.

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hybrid locations, resulting in 34 team submissions. The submissions spanned seven key application areas and demonstrated the diverse utility of LLMs for applications in (1) molecular and material property prediction; (2) molecular and material design; (3) automation and novel interfaces; (4) scientific communication and education; (5) research data management and automation; (6) hypothesis generation and evaluation; and (7) knowledge extraction and reasoning from scientific literature. Each team submission is presented in a summary table with links to the code and as brief papers in the appendix. Beyond team results, we discuss the hackathon event and its hybrid format, which included physical hubs in Toronto, Montreal, San Francisco, Berlin, Lausanne, and Tokyo, alongside a global online hub to enable local and virtual collaboration. Overall, the event highlighted significant improvements in LLM capabilities since the previous year's hackathon, suggesting continued expansion of LLMs for applications in materials science and chemistry research. These outcomes demonstrate the dual utility of LLMs as both multipurpose models for diverse machine learning tasks and platforms for rapid prototyping custom applications in scientific research.

This work presents Kinodynamic Adaptive Robot Coordination (K-ARC), a novel algorithm for multi-robot kinodynamic planning. Our experimental results show the capability of K-ARC to plan for up to 32 planar mobile robots, while achieving up to an order of magnitude of speed-up compared to previous methods in various scenarios. K-ARC is able to achieve this due to its two main properties. First, K-ARC constructs its solution iteratively by planning in segments, where initial kinodynamic paths are found through optimization-based approaches and the inter-robot conflicts are resolved through sampling-based approaches. The interleaving use of sampling-based and optimization-based approaches allows K-ARC to leverage the strengths of both approaches in different sections of the planning process where one is more suited than the other, while previous methods tend to emphasize on one over the other. Second, K-ARC builds on a previously proposed multi-robot motion planning framework, Adaptive Robot Coordination (ARC), and inherits its strength of focusing on coordination between robots only when needed, saving computation efforts. We show how the combination of these two properties allows K-ARC to achieve overall better performance in our simulated experiments with increasing numbers of robots, increasing degrees of problem difficulties, and increasing complexities of robot dynamics.

Soft sensing of hard-to-measure variables is often crucial in industrial processes. Current practices rely heavily on conventional modeling techniques that show success in improving accuracy. However, they overlook the non-linear nature, dynamics characteristics, and non-Euclidean dependencies between complex process variables. To tackle these challenges, we present a framework known as a Knowledge discovery graph Attention Network for effective Soft sensing (KANS). Unlike the existing deep learning soft sensor models, KANS can discover the intrinsic correlations and irregular relationships between the multivariate industrial processes without a predefined topology. First, an unsupervised graph structure learning method is introduced, incorporating the cosine similarity between different sensor embedding to capture the correlations between sensors. Next, we present a graph attention-based representation learning that can compute the multivariate data parallelly to enhance the model in learning complex sensor nodes and edges. To fully explore KANS, knowledge discovery analysis has also been conducted to demonstrate the interpretability of the model. Experimental results demonstrate that KANS significantly outperforms all the baselines and state-of-the-art methods in soft sensing performance. Furthermore, the analysis shows that KANS can find sensors closely related to different process variables without domain knowledge, significantly improving soft sensing accuracy.

We develop Riemannian approaches to variational autoencoders (VAEs) for PDE-type ambient data with regularizing geometric latent dynamics, which we refer to as VAE-DLM, or VAEs with dynamical latent manifolds. We redevelop the VAE framework such that manifold geometries, subject to our geometric flow, embedded in Euclidean space are learned in the intermediary latent space developed by encoders and decoders. By tailoring the geometric flow in which the latent space evolves, we induce latent geometric properties of our choosing, which are reflected in empirical performance. We reformulate the traditional evidence lower bound (ELBO) loss with a considerate choice of prior. We develop a linear geometric flow with a steady-state regularizing term. This flow requires only automatic differentiation of one time derivative, and can be solved in moderately high dimensions in a physics-informed approach, allowing more expressive latent representations. We discuss how this flow can be formulated as a gradient flow, and maintains entropy away from metric singularity. This, along with an eigenvalue penalization condition, helps ensure the manifold is sufficiently large in measure, nondegenerate, and a canonical geometry, which contribute to a robust representation. Our methods focus on the modified multi-layer perceptron architecture with tanh activations for the manifold encoder-decoder. We demonstrate, on our datasets of interest, our methods perform at least as well as the traditional VAE, and oftentimes better. Our methods can outperform this and a VAE endowed with our proposed architecture, frequently reducing out-of-distribution (OOD) error between 15% to 35% on select datasets. We highlight our method on ambient PDEs whose solutions maintain minimal variation in late times. We provide empirical justification towards how we can improve robust learning for external dynamics with VAEs.

Many numerical algorithms in scientific computing -- particularly in areas like numerical linear algebra, PDE simulation, and inverse problems -- produce outputs that can be represented by semialgebraic functions; that is, the graph of the computed function can be described by finitely many polynomial equalities and inequalities. In this work, we introduce Semialgebraic Neural Networks (SANNs), a neural network architecture capable of representing any bounded semialgebraic function, and computing such functions up to the accuracy of a numerical ODE solver chosen by the programmer. Conceptually, we encode the graph of the learned function as the kernel of a piecewise polynomial selected from a class of functions whose roots can be evaluated using a particular homotopy continuation method. We show by construction that the SANN architecture is able to execute this continuation method, thus evaluating the learned semialgebraic function. Furthermore, the architecture can exactly represent even discontinuous semialgebraic functions by executing a continuation method on each connected component of the target function. Lastly, we provide example applications of these networks and show they can be trained with traditional deep-learning techniques.

Existing methods to summarize posterior inference for mixture models focus on identifying a point estimate of the implied random partition for clustering, with density estimation as a secondary goal (Wade and Ghahramani, 2018; Dahl et al., 2022). We propose a novel approach for summarizing posterior inference in nonparametric Bayesian mixture models, prioritizing density estimation of the mixing measure (or mixture) as an inference target. One of the key features is the model-agnostic nature of the approach, which remains valid under arbitrarily complex dependence structures in the underlying sampling model. Using a decision-theoretic framework, our method identifies a point estimate by minimizing posterior expected loss. A loss function is defined as a discrepancy between mixing measures. Estimating the mixing measure implies inference on the mixture density and the random partition. Exploiting the discrete nature of the mixing measure, we use a version of sliced Wasserstein distance. We introduce two specific variants for Gaussian mixtures. The first, mixed sliced Wasserstein, applies generalized geodesic projections on the product of the Euclidean space and the manifold of symmetric positive definite matrices. The second, sliced mixture Wasserstein, leverages the linearity of Gaussian mixture measures for efficient projection.