单纯性神经网络（SNN）最近被出现为图表学习中最新方向，这扩大了从节点空间到图形上的单纯复合体的卷积体系结构的想法。在目前的实践中，单纯复合资源允许我们描述高阶交互和多节点图结构的节点中的节点之间的成对关系进行预先定位通过在卷积操作和新块Hodge-Laplacian之间建立连接时，我们提出了第一个用于链接预测的SNN。我们的新块单纯性复杂神经网络（BSCNET）模型通过系统地掺入不同尺寸的多个高阶图结构之间的突出相互作用来推广现有的图形卷积网络（GCN）框架。我们讨论BSCNET背后的理论基础，并说明了其在八个现实世界和合成数据集上的链接预测的实用性。我们的实验表明，BSCNETS在保持低计算成本的同时优于最先进的模型，同时保持最高的余量。最后，我们展示了BSCnets作为追踪Covid-19等传染病传播的新有前途的替代品，并测量医疗保障风险缓解策略的有效性。

Simulating rigid collisions among arbitrary shapes is notoriously difficult due to complex geometry and the strong non-linearity of the interactions. While graph neural network (GNN)-based models are effective at learning to simulate complex physical dynamics, such as fluids, cloth and articulated bodies, they have been less effective and efficient on rigid-body physics, except with very simple shapes. Existing methods that model collisions through the meshes' nodes are often inaccurate because they struggle when collisions occur on faces far from nodes. Alternative approaches that represent the geometry densely with many particles are prohibitively expensive for complex shapes. Here we introduce the Face Interaction Graph Network (FIGNet) which extends beyond GNN-based methods, and computes interactions between mesh faces, rather than nodes. Compared to learned node- and particle-based methods, FIGNet is around 4x more accurate in simulating complex shape interactions, while also 8x more computationally efficient on sparse, rigid meshes. Moreover, FIGNet can learn frictional dynamics directly from real-world data, and can be more accurate than analytical solvers given modest amounts of training data. FIGNet represents a key step forward in one of the few remaining physical domains which have seen little competition from learned simulators, and offers allied fields such as robotics, graphics and mechanical design a new tool for simulation and model-based planning.

In computer-aided drug discovery (CADD), virtual screening (VS) is used for identifying the drug candidates that are most likely to bind to a molecular target in a large library of compounds. Most VS methods to date have focused on using canonical compound representations (e.g., SMILES strings, Morgan fingerprints) or generating alternative fingerprints of the compounds by training progressively more complex variational autoencoders (VAEs) and graph neural networks (GNNs). Although VAEs and GNNs led to significant improvements in VS performance, these methods suffer from reduced performance when scaling to large virtual compound datasets. The performance of these methods has shown only incremental improvements in the past few years. To address this problem, we developed a novel method using multiparameter persistence (MP) homology that produces topological fingerprints of the compounds as multidimensional vectors. Our primary contribution is framing the VS process as a new topology-based graph ranking problem by partitioning a compound into chemical substructures informed by the periodic properties of its atoms and extracting their persistent homology features at multiple resolution levels. We show that the margin loss fine-tuning of pretrained Triplet networks attains highly competitive results in differentiating between compounds in the embedding space and ranking their likelihood of becoming effective drug candidates. We further establish theoretical guarantees for the stability properties of our proposed MP signatures, and demonstrate that our models, enhanced by the MP signatures, outperform state-of-the-art methods on benchmark datasets by a wide and highly statistically significant margin (e.g., 93% gain for Cleves-Jain and 54% gain for DUD-E Diverse dataset).

The recent increase in public and academic interest in preserving biodiversity has led to the growth of the field of conservation technology. This field involves designing and constructing tools that utilize technology to aid in the conservation of wildlife. In this article, we will use case studies to demonstrate the importance of designing conservation tools with human-wildlife interaction in mind and provide a framework for creating successful tools. These case studies include a range of complexities, from simple cat collars to machine learning and game theory methodologies. Our goal is to introduce and inform current and future researchers in the field of conservation technology and provide references for educating the next generation of conservation technologists. Conservation technology not only has the potential to benefit biodiversity but also has broader impacts on fields such as sustainability and environmental protection. By using innovative technologies to address conservation challenges, we can find more effective and efficient solutions to protect and preserve our planet's resources.

A Digital Twin (DT) is a simulation of a physical system that provides information to make decisions that add economic, social or commercial value. The behaviour of a physical system changes over time, a DT must therefore be continually updated with data from the physical systems to reflect its changing behaviour. For resource-constrained systems, updating a DT is non-trivial because of challenges such as on-board learning and the off-board data transfer. This paper presents a framework for updating data-driven DTs of resource-constrained systems geared towards system health monitoring. The proposed solution consists of: (1) an on-board system running a light-weight DT allowing the prioritisation and parsimonious transfer of data generated by the physical system; and (2) off-board robust updating of the DT and detection of anomalous behaviours. Two case studies are considered using a production gas turbine engine system to demonstrate the digital representation accuracy for real-world, time-varying physical systems.

We consider infinite horizon Markov decision processes (MDPs) with fast-slow structure, meaning that certain parts of the state space move "fast" (and in a sense, are more influential) while other parts transition more "slowly." Such structure is common in real-world problems where sequential decisions need to be made at high frequencies, yet information that varies at a slower timescale also influences the optimal policy. Examples include: (1) service allocation for a multi-class queue with (slowly varying) stochastic costs, (2) a restless multi-armed bandit with an environmental state, and (3) energy demand response, where both day-ahead and real-time prices play a role in the firm's revenue. Models that fully capture these problems often result in MDPs with large state spaces and large effective time horizons (due to frequent decisions), rendering them computationally intractable. We propose an approximate dynamic programming algorithmic framework based on the idea of "freezing" the slow states, solving a set of simpler finite-horizon MDPs (the lower-level MDPs), and applying value iteration (VI) to an auxiliary MDP that transitions on a slower timescale (the upper-level MDP). We also extend the technique to a function approximation setting, where a feature-based linear architecture is used. On the theoretical side, we analyze the regret incurred by each variant of our frozen-state approach. Finally, we give empirical evidence that the frozen-state approach generates effective policies using just a fraction of the computational cost, while illustrating that simply omitting slow states from the decision modeling is often not a viable heuristic.

While the capabilities of autonomous systems have been steadily improving in recent years, these systems still struggle to rapidly explore previously unknown environments without the aid of GPS-assisted navigation. The DARPA Subterranean (SubT) Challenge aimed to fast track the development of autonomous exploration systems by evaluating their performance in real-world underground search-and-rescue scenarios. Subterranean environments present a plethora of challenges for robotic systems, such as limited communications, complex topology, visually-degraded sensing, and harsh terrain. The presented solution enables long-term autonomy with minimal human supervision by combining a powerful and independent single-agent autonomy stack, with higher level mission management operating over a flexible mesh network. The autonomy suite deployed on quadruped and wheeled robots was fully independent, freeing the human supervision to loosely supervise the mission and make high-impact strategic decisions. We also discuss lessons learned from fielding our system at the SubT Final Event, relating to vehicle versatility, system adaptability, and re-configurable communications.

Machine learning is the dominant approach to artificial intelligence, through which computers learn from data and experience. In the framework of supervised learning, for a computer to learn from data accurately and efficiently, some auxiliary information about the data distribution and target function should be provided to it through the learning model. This notion of auxiliary information relates to the concept of regularization in statistical learning theory. A common feature among real-world datasets is that data domains are multiscale and target functions are well-behaved and smooth. In this paper, we propose a learning model that exploits this multiscale data structure and discuss its statistical and computational benefits. The hierarchical learning model is inspired by the logical and progressive easy-to-hard learning mechanism of human beings and has interpretable levels. The model apportions computational resources according to the complexity of data instances and target functions. This property can have multiple benefits, including higher inference speed and computational savings in training a model for many users or when training is interrupted. We provide a statistical analysis of the learning mechanism using multiscale entropies and show that it can yield significantly stronger guarantees than uniform convergence bounds.

Implicit Neural Representations (INR) have recently shown to be powerful tool for high-quality video compression. However, existing works are limiting as they do not explicitly exploit the temporal redundancy in videos, leading to a long encoding time. Additionally, these methods have fixed architectures which do not scale to longer videos or higher resolutions. To address these issues, we propose NIRVANA, which treats videos as groups of frames and fits separate networks to each group performing patch-wise prediction. This design shares computation within each group, in the spatial and temporal dimensions, resulting in reduced encoding time of the video. The video representation is modeled autoregressively, with networks fit on a current group initialized using weights from the previous group's model. To further enhance efficiency, we perform quantization of the network parameters during training, requiring no post-hoc pruning or quantization. When compared with previous works on the benchmark UVG dataset, NIRVANA improves encoding quality from 37.36 to 37.70 (in terms of PSNR) and the encoding speed by 12X, while maintaining the same compression rate. In contrast to prior video INR works which struggle with larger resolution and longer videos, we show that our algorithm is highly flexible and scales naturally due to its patch-wise and autoregressive designs. Moreover, our method achieves variable bitrate compression by adapting to videos with varying inter-frame motion. NIRVANA achieves 6X decoding speed and scales well with more GPUs, making it practical for various deployment scenarios.

Recent advances in upper limb prostheses have led to significant improvements in the number of movements provided by the robotic limb. However, the method for controlling multiple degrees of freedom via user-generated signals remains challenging. To address this issue, various machine learning controllers have been developed to better predict movement intent. As these controllers become more intelligent and take on more autonomy in the system, the traditional approach of representing the human-machine interface as a human controlling a tool becomes limiting. One possible approach to improve the understanding of these interfaces is to model them as collaborative, multi-agent systems through the lens of joint action. The field of joint action has been commonly applied to two human partners who are trying to work jointly together to achieve a task, such as singing or moving a table together, by effecting coordinated change in their shared environment. In this work, we compare different prosthesis controllers (proportional electromyography with sequential switching, pattern recognition, and adaptive switching) in terms of how they present the hallmarks of joint action. The results of the comparison lead to a new perspective for understanding how existing myoelectric systems relate to each other, along with recommendations for how to improve these systems by increasing the collaborative communication between each partner.