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We present a novel method for collaborative robots (cobots) to learn manipulation tasks and perform them in a human-like manner. Our method falls under the learn-from-observation (LfO) paradigm, where robots learn to perform tasks by observing human actions, which facilitates quicker integration into industrial settings compared to programming from scratch. We introduce Visual IRL that uses the RGB-D keypoints in each frame of the observed human task performance directly as state features, which are input to inverse reinforcement learning (IRL). The inversely learned reward function, which maps keypoints to reward values, is transferred from the human to the cobot using a novel neuro-symbolic dynamics model, which maps human kinematics to the cobot arm. This model allows similar end-effector positioning while minimizing joint adjustments, aiming to preserve the natural dynamics of human motion in robotic manipulation. In contrast with previous techniques that focus on end-effector placement only, our method maps multiple joint angles of the human arm to the corresponding cobot joints. Moreover, it uses an inverse kinematics model to then minimally adjust the joint angles, for accurate end-effector positioning. We evaluate the performance of this approach on two different realistic manipulation tasks. The first task is produce processing, which involves picking, inspecting, and placing onions based on whether they are blemished. The second task is liquid pouring, where the robot picks up bottles, pours the contents into designated containers, and disposes of the empty bottles. Our results demonstrate advances in human-like robotic manipulation, leading to more human-robot compatibility in manufacturing applications.

Obtaining high certainty in predictive models is crucial for making informed and trustworthy decisions in many scientific and engineering domains. However, extensive experimentation required for model accuracy can be both costly and time-consuming. This paper presents an adaptive sampling approach designed to reduce epistemic uncertainty in predictive models. Our primary contribution is the development of a metric that estimates potential epistemic uncertainty leveraging prediction interval-generation neural networks. This estimation relies on the distance between the predicted upper and lower bounds and the observed data at the tested positions and their neighboring points. Our second contribution is the proposal of a batch sampling strategy based on Gaussian processes (GPs). A GP is used as a surrogate model of the networks trained at each iteration of the adaptive sampling process. Using this GP, we design an acquisition function that selects a combination of sampling locations to maximize the reduction of epistemic uncertainty across the domain. We test our approach on three unidimensional synthetic problems and a multi-dimensional dataset based on an agricultural field for selecting experimental fertilizer rates. The results demonstrate that our method consistently converges faster to minimum epistemic uncertainty levels compared to Normalizing Flows Ensembles, MC-Dropout, and simple GPs.

Constructing sparse, effective reduced-order models (ROMs) for high-dimensional dynamical data is an active area of research in applied sciences. In this work, we study an efficient approach to identifying such sparse ROMs using an information-theoretic indicator called causation entropy. Given a feature library of possible building block terms for the sought ROMs, the causation entropy ranks the importance of each term to the dynamics conveyed by the training data before a parameter estimation procedure is performed. It thus allows for an efficient construction of a hierarchy of ROMs with varying degrees of sparsity to effectively handle different tasks. This article examines the ability of the causation entropy to identify skillful sparse ROMs when a relatively high-dimensional ROM is required to emulate the dynamics conveyed by the training dataset. We demonstrate that a Gaussian approximation of the causation entropy still performs exceptionally well even in presence of highly non-Gaussian statistics. Such approximations provide an efficient way to access the otherwise hard to compute causation entropies when the selected feature library contains a large number of candidate functions. Besides recovering long-term statistics, we also demonstrate good performance of the obtained ROMs in recovering unobserved dynamics via data assimilation with partial observations, a test that has not been done before for causation-based ROMs of partial differential equations. The paradigmatic Kuramoto-Sivashinsky equation placed in a chaotic regime with highly skewed, multimodal statistics is utilized for these purposes.

The accurate prediction of antigen-antibody structures is essential for advancing immunology and therapeutic development, as it helps elucidate molecular interactions that underlie immune responses. Despite recent progress with deep learning models like AlphaFold and RoseTTAFold, accurately modeling antigen-antibody complexes remains a challenge due to their unique evolutionary characteristics. HelixFold-Multimer, a specialized model developed for this purpose, builds on the framework of AlphaFold-Multimer and demonstrates improved precision for antigen-antibody structures. HelixFold-Multimer not only surpasses other models in accuracy but also provides essential insights into antibody development, enabling more precise identification of binding sites, improved interaction prediction, and enhanced design of therapeutic antibodies. These advances underscore HelixFold-Multimer's potential in supporting antibody research and therapeutic innovation.

Cooperative multi-agent systems can be naturally used to model many real world problems, such as network packet routing and the coordination of autonomous vehicles. There is a great need for new reinforcement learning methods that can efficiently learn decentralised policies for such systems. To this end, we propose a new multi-agent actor-critic method called counterfactual multi-agent (COMA) policy gradients. COMA uses a centralised critic to estimate the Q-function and decentralised actors to optimise the agents' policies. In addition, to address the challenges of multi-agent credit assignment, it uses a counterfactual baseline that marginalises out a single agent's action, while keeping the other agents' actions fixed. COMA also uses a critic representation that allows the counterfactual baseline to be computed efficiently in a single forward pass. We evaluate COMA in the testbed of StarCraft unit micromanagement, using a decentralised variant with significant partial observability. COMA significantly improves average performance over other multi-agent actor-critic methods in this setting, and the best performing agents are competitive with state-of-the-art centralised controllers that get access to the full state.

Quadratic programming (QP) forms a crucial foundation in optimization, encompassing a broad spectrum of domains and serving as the basis for more advanced algorithms. Consequently, as the scale and complexity of modern applications continue to grow, the development of efficient and reliable QP algorithms is becoming increasingly vital. In this context, this paper introduces a novel deep learning-aided distributed optimization architecture designed for tackling large-scale QP problems. First, we combine the state-of-the-art Operator Splitting QP (OSQP) method with a consensus approach to derive DistributedQP, a new method tailored for network-structured problems, with convergence guarantees to optimality. Subsequently, we unfold this optimizer into a deep learning framework, leading to DeepDistributedQP, which leverages learned policies to accelerate reaching to desired accuracy within a restricted amount of iterations. Our approach is also theoretically grounded through Probably Approximately Correct (PAC)-Bayes theory, providing generalization bounds on the expected optimality gap for unseen problems. The proposed framework, as well as its centralized version DeepQP, significantly outperform their standard optimization counterparts on a variety of tasks such as randomly generated problems, optimal control, linear regression, transportation networks and others. Notably, DeepDistributedQP demonstrates strong generalization by training on small problems and scaling to solve much larger ones (up to 50K variables and 150K constraints) using the same policy. Moreover, it achieves orders-of-magnitude improvements in wall-clock time compared to OSQP. The certifiable performance guarantees of our approach are also demonstrated, ensuring higher-quality solutions over traditional optimizers.

Recent advances in representation learning have demonstrated an ability to represent information from different modalities such as video, text, and audio in a single high-level embedding vector. In this work we present a self-supervised learning framework that is able to learn a representation that captures finer levels of granularity across different modalities such as concepts or events represented by visual objects or spoken words. Our framework relies on a discretized embedding space created via vector quantization that is shared across different modalities. Beyond the shared embedding space, we propose a Cross-Modal Code Matching objective that forces the representations from different views (modalities) to have a similar distribution over the discrete embedding space such that cross-modal objects/actions localization can be performed without direct supervision. In our experiments we show that the proposed discretized multi-modal fine-grained representation (e.g., pixel/word/frame) can complement high-level summary representations (e.g., video/sentence/waveform) for improved performance on cross-modal retrieval tasks. We also observe that the discretized representation uses individual clusters to represent the same semantic concept across modalities.

Approaches based on deep neural networks have achieved striking performance when testing data and training data share similar distribution, but can significantly fail otherwise. Therefore, eliminating the impact of distribution shifts between training and testing data is crucial for building performance-promising deep models. Conventional methods assume either the known heterogeneity of training data (e.g. domain labels) or the approximately equal capacities of different domains. In this paper, we consider a more challenging case where neither of the above assumptions holds. We propose to address this problem by removing the dependencies between features via learning weights for training samples, which helps deep models get rid of spurious correlations and, in turn, concentrate more on the true connection between discriminative features and labels. Extensive experiments clearly demonstrate the effectiveness of our method on multiple distribution generalization benchmarks compared with state-of-the-art counterparts. Through extensive experiments on distribution generalization benchmarks including PACS, VLCS, MNIST-M, and NICO, we show the effectiveness of our method compared with state-of-the-art counterparts.

Recently, various auxiliary tasks have been proposed to accelerate representation learning and improve sample efficiency in deep reinforcement learning (RL). However, existing auxiliary tasks do not take the characteristics of RL problems into consideration and are unsupervised. By leveraging returns, the most important feedback signals in RL, we propose a novel auxiliary task that forces the learnt representations to discriminate state-action pairs with different returns. Our auxiliary loss is theoretically justified to learn representations that capture the structure of a new form of state-action abstraction, under which state-action pairs with similar return distributions are aggregated together. In low data regime, our algorithm outperforms strong baselines on complex tasks in Atari games and DeepMind Control suite, and achieves even better performance when combined with existing auxiliary tasks.