Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and expressiveness. In this work, we introduce a new type of normalizing flow that is tailored for modeling positions and orientations of multiple objects in three-dimensional space, such as molecules in a crystal. Our approach is based on two key ideas: first, we define smooth and expressive flows on the group of unit quaternions, which allows us to capture the continuous rotational motion of rigid bodies; second, we use the double cover property of unit quaternions to define a proper density on the rotation group. This ensures that our model can be trained using standard likelihood-based methods or variational inference with respect to a thermodynamic target density. We evaluate the method by training Boltzmann generators for two molecular examples, namely the multi-modal density of a tetrahedral system in an external field and the ice XI phase in the TIP4P water model. Our flows can be combined with flows operating on the internal degrees of freedom of molecules and constitute an important step towards the modeling of distributions of many interacting molecules.

Activity difference based learning algorithms-such as contrastive Hebbian learning and equilibrium propagation-have been proposed as biologically plausible alternatives to error back-propagation. However, on traditional digital chips these algorithms suffer from having to solve a costly inference problem twice, making these approaches more than two orders of magnitude slower than back-propagation. In the analog realm equilibrium propagation may be promising for fast and energy efficient learning, but states still need to be inferred and stored twice. Inspired by lifted neural networks and compartmental neuron models we propose a simple energy based compartmental neuron model, termed dual propagation, in which each neuron is a dyad with two intrinsic states. At inference time these intrinsic states encode the error/activity duality through their difference and their mean respectively. The advantage of this method is that only a single inference phase is needed and that inference can be solved in layerwise closed-form. Experimentally we show on common computer vision datasets, including Imagenet32x32, that dual propagation performs equivalently to back-propagation both in terms of accuracy and runtime.

Model predictive control (MPC) is a popular approach for trajectory optimization in practical robotics applications. MPC policies can optimize trajectory parameters under kinodynamic and safety constraints and provide guarantees on safety, optimality, generalizability, interpretability, and explainability. However, some behaviors are complex and it is difficult to hand-craft an MPC objective function. A special class of MPC policies called Learnable-MPC addresses this difficulty using imitation learning from expert demonstrations. However, they require the demonstrator and the imitator agents to be identical which is hard to satisfy in many real world applications of robotics. In this paper, we address the practical problem of training Learnable-MPC policies when the demonstrator and the imitator do not share the same dynamics and their state spaces may have a partial overlap. We propose a novel approach that uses a generative adversarial network (GAN) to minimize the Jensen-Shannon divergence between the state-trajectory distributions of the demonstrator and the imitator. We evaluate our approach on a variety of simulated robotics tasks of DeepMind Control suite and demonstrate the efficacy of our approach at learning the demonstrator's behavior without having to copy their actions.

Previous work has shown that the representations output by contextual language models are more anisotropic than static type embeddings, and typically display outlier dimensions. This seems to be true for both monolingual and multilingual models, although much less work has been done on the multilingual context. Why these outliers occur and how they affect the representations is still an active area of research. We investigate outlier dimensions and their relationship to anisotropy in multiple pre-trained multilingual language models. We focus on cross-lingual semantic similarity tasks, as these are natural tasks for evaluating multilingual representations. Specifically, we examine sentence representations. Sentence transformers which are fine-tuned on parallel resources (that are not always available) perform better on this task, and we show that their representations are more isotropic. However, we aim to improve multilingual representations in general. We investigate how much of the performance difference can be made up by only transforming the embedding space without fine-tuning, and visualise the resulting spaces. We test different operations: Removing individual outlier dimensions, cluster-based isotropy enhancement, and ZCA whitening. We publish our code for reproducibility.

Robotic Information Gathering (RIG) is a foundational research topic that answers how a robot (team) collects informative data to efficiently build an accurate model of an unknown target function under robot embodiment constraints. RIG has many applications, including but not limited to autonomous exploration and mapping, 3D reconstruction or inspection, search and rescue, and environmental monitoring. A RIG system relies on a probabilistic model's prediction uncertainty to identify critical areas for informative data collection. Gaussian Processes (GPs) with stationary kernels have been widely adopted for spatial modeling. However, real-world spatial data is typically non-stationary -- different locations do not have the same degree of variability. As a result, the prediction uncertainty does not accurately reveal prediction error, limiting the success of RIG algorithms. We propose a family of non-stationary kernels named Attentive Kernel (AK), which is simple, robust, and can extend any existing kernel to a non-stationary one. We evaluate the new kernel in elevation mapping tasks, where AK provides better accuracy and uncertainty quantification over the commonly used stationary kernels and the leading non-stationary kernels. The improved uncertainty quantification guides the downstream informative planner to collect more valuable data around the high-error area, further increasing prediction accuracy. A field experiment demonstrates that the proposed method can guide an Autonomous Surface Vehicle (ASV) to prioritize data collection in locations with significant spatial variations, enabling the model to characterize salient environmental features.

Entailment Graphs (EGs) have been constructed based on extracted corpora as a strong and explainable form to indicate context-independent entailment relations in natural languages. However, EGs built by previous methods often suffer from the severe sparsity issues, due to limited corpora available and the long-tail phenomenon of predicate distributions. In this paper, we propose a multi-stage method, Typed Predicate-Entailment Graph Generator (TP-EGG), to tackle this problem. Given several seed predicates, TP-EGG builds the graphs by generating new predicates and detecting entailment relations among them. The generative nature of TP-EGG helps us leverage the recent advances from large pretrained language models (PLMs), while avoiding the reliance on carefully prepared corpora. Experiments on benchmark datasets show that TP-EGG can generate high-quality and scale-controllable entailment graphs, achieving significant in-domain improvement over state-of-the-art EGs and boosting the performance of down-stream inference tasks.

Solving inverse problems, where we find the input values that result in desired values of outputs, can be challenging. The solution process is often computationally expensive and it can be difficult to interpret the solution in high-dimensional input spaces. In this paper, we use a problem from additive manufacturing to address these two issues with the intent of making it easier to solve inverse problems and exploit their results. First, focusing on Gaussian process surrogates that are used to solve inverse problems, we describe how a simple modification to the idea of tapering can substantially speed up the surrogate without losing accuracy in prediction. Second, we demonstrate that Kohonen self-organizing maps can be used to visualize and interpret the solution to the inverse problem in the high-dimensional input space. For our data set, as not all input dimensions are equally important, we show that using weighted distances results in a better organized map that makes the relationships among the inputs obvious.

Speaker diarization is the task of answering Who spoke and when? in an audio stream. Pipeline systems rely on speech segmentation to extract speakers' segments and achieve robust speaker diarization. This paper proposes a common framework to solve three segmentation tasks in the distant speech scenario: Voice Activity Detection (VAD), Overlapped Speech Detection (OSD), and Speaker Change Detection (SCD). In the literature, a few studies investigate the multi-microphone distant speech scenario. In this work, we propose a new set of spatial features based on direction-of-arrival estimations in the circular harmonic domain (CH-DOA). These spatial features are extracted from multi-microphone audio data and combined with standard acoustic features. Experiments on the AMI meeting corpus show that CH-DOA can improve the segmentation while being robust in the case of deactivated microphones.

The shapes and morphological features of grains in sand assemblies have far-reaching implications in many engineering applications, such as geotechnical engineering, computer animations, petroleum engineering, and concentrated solar power. Yet, our understanding of the influence of grain geometries on macroscopic response is often only qualitative, due to the limited availability of high-quality 3D grain geometry data. In this paper, we introduce a denoising diffusion algorithm that uses a set of point clouds collected from the surface of individual sand grains to generate grains in the latent space. By employing a point cloud autoencoder, the three-dimensional point cloud structures of sand grains are first encoded into a lower-dimensional latent space. A generative denoising diffusion probabilistic model is trained to produce synthetic sand that maximizes the log-likelihood of the generated samples belonging to the original data distribution measured by a Kullback-Leibler divergence. Numerical experiments suggest that the proposed method is capable of generating realistic grains with morphology, shapes and sizes consistent with the training data inferred from an F50 sand database. We then use a rigid contact dynamic simulator to pour the synthetic sand in a confined volume to form granular assemblies in a static equilibrium state with targeted distribution properties. To ensure third-party validation, 50,000 synthetic sand grains and the 1,542 real synchrotron microcomputed tomography (SMT) scans of the F50 sand, as well as the granular assemblies composed of synthetic sand grains are made available in an open-source repository.

Aerial operation in turbulent environments is a challenging problem due to the chaotic behavior of the flow. This problem is made even more complex when a team of aerial robots is trying to achieve coordinated motion in turbulent wind conditions. In this paper, we present a novel multi-robot controller to navigate in turbulent flows, decoupling the trajectory-tracking control from the turbulence compensation via a nested control architecture. Unlike previous works, our method does not learn to compensate for the air-flow at a specific time and space. Instead, our method learns to compensate for the flow based on its effect on the team. This is made possible via a deep reinforcement learning approach, implemented via a Graph Convolutional Neural Network (GCNN)-based architecture, which enables robots to achieve better wind compensation by processing the spatial-temporal correlation of wind flows across the team. Our approach scales well to large robot teams -- as each robot only uses information from its nearest neighbors -- , and generalizes well to robot teams larger than seen in training. Simulated experiments demonstrate how information sharing improves turbulence compensation in a team of aerial robots and demonstrate the flexibility of our method over different team configurations.