分子的深度生成模型在相关数据集上培训，这些模型培训的流行度非常受欢迎，这些模型用于通过化学空间进行搜索。用于新型功能化合物的逆设计的生成模型的下游效用取决于它们学习分子训练分布的能力。最简单的示例是一种语言模型，采用经常性神经网络的形式，并使用串表示生成分子。更复杂的是图形生成模型，其顺序地构建分子图，通常实现最先进的结果。然而，最近的工作表明，语言模型比曾经的想法更具能力，特别是在低数据制度中。在这项工作中，我们调查了简单语言模型学习分子分布的能力。为此目的，我们通过编译特别复杂的分子分布来介绍几个具有挑战性的生成建模任务。在每个任务上，与两个广泛使用的图形生成模型相比，我们评估语言模型的能力。结果表明，语言模型是强大的生成模型，能够熟练地学习复杂的分子分配 - 并产生比图形模型更好的性能。语言模型可以准确地产生：锌15，多模态分子分布以及Pubchem中最大分子的最高评分罚款的分布。

量子物理实验产生有趣的现象，例如干扰或纠缠，这些现象是许多未来量子技术的核心特性。量子实验的设置结构与其纠缠特性之间的复杂关系对于量子光学的基本研究至关重要，但很难直观地理解。我们提出了量子光学实验的深层生成模型，其中在量子光学实验设置的数据集中对变异自动编码器进行了训练。在一系列计算实验中，我们研究了我们的量子光学变量自动编码器（Qovae）的学识渊博表示及其对量子光学世界的内部理解。我们证明Qovae学习了量子光学实验的可解释表示以及实验结构与纠缠之间的关系。我们显示，Qovae能够为高度纠缠的量子状态生成具有匹配其训练数据的特定分布的新型实验。 Qovae可以学会生成特定的纠缠状态，并有效地搜索产生高度纠缠量子状态的实验空间。重要的是，我们能够解释Qovae如何结构其潜在空间，从而找到可以从量子物理学来解释的好奇模式。结果表明，我们如何在复杂的科学领域中使用和理解深层生成模型的内部表示。 Qovae和我们调查的见解可以立即应用于其他物理系统。

The performance of inertial navigation systems is largely dependent on the stable flow of external measurements and information to guarantee continuous filter updates and bind the inertial solution drift. Platforms in different operational environments may be prevented at some point from receiving external measurements, thus exposing their navigation solution to drift. Over the years, a wide variety of works have been proposed to overcome this shortcoming, by exploiting knowledge of the system current conditions and turning it into an applicable source of information to update the navigation filter. This paper aims to provide an extensive survey of information aided navigation, broadly classified into direct, indirect, and model aiding. Each approach is described by the notable works that implemented its concept, use cases, relevant state updates, and their corresponding measurement models. By matching the appropriate constraint to a given scenario, one will be able to improve the navigation solution accuracy, compensate for the lost information, and uncover certain internal states, that would otherwise remain unobservable.

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.

In the present work we propose an unsupervised ensemble method consisting of oblique trees that can address the task of auto-encoding, namely Oblique Forest AutoEncoders (briefly OF-AE). Our method is a natural extension of the eForest encoder introduced in [1]. More precisely, by employing oblique splits consisting in multivariate linear combination of features instead of the axis-parallel ones, we will devise an auto-encoder method through the computation of a sparse solution of a set of linear inequalities consisting of feature values constraints. The code for reproducing our results is available at https://github.com/CDAlecsa/Oblique-Forest-AutoEncoders.

When robots learn reward functions using high capacity models that take raw state directly as input, they need to both learn a representation for what matters in the task -- the task ``features" -- as well as how to combine these features into a single objective. If they try to do both at once from input designed to teach the full reward function, it is easy to end up with a representation that contains spurious correlations in the data, which fails to generalize to new settings. Instead, our ultimate goal is to enable robots to identify and isolate the causal features that people actually care about and use when they represent states and behavior. Our idea is that we can tune into this representation by asking users what behaviors they consider similar: behaviors will be similar if the features that matter are similar, even if low-level behavior is different; conversely, behaviors will be different if even one of the features that matter differs. This, in turn, is what enables the robot to disambiguate between what needs to go into the representation versus what is spurious, as well as what aspects of behavior can be compressed together versus not. The notion of learning representations based on similarity has a nice parallel in contrastive learning, a self-supervised representation learning technique that maps visually similar data points to similar embeddings, where similarity is defined by a designer through data augmentation heuristics. By contrast, in order to learn the representations that people use, so we can learn their preferences and objectives, we use their definition of similarity. In simulation as well as in a user study, we show that learning through such similarity queries leads to representations that, while far from perfect, are indeed more generalizable than self-supervised and task-input alternatives.

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.

Deep learning models are known to put the privacy of their training data at risk, which poses challenges for their safe and ethical release to the public. Differentially private stochastic gradient descent is the de facto standard for training neural networks without leaking sensitive information about the training data. However, applying it to models for graph-structured data poses a novel challenge: unlike with i.i.d. data, sensitive information about a node in a graph cannot only leak through its gradients, but also through the gradients of all nodes within a larger neighborhood. In practice, this limits privacy-preserving deep learning on graphs to very shallow graph neural networks. We propose to solve this issue by training graph neural networks on disjoint subgraphs of a given training graph. We develop three random-walk-based methods for generating such disjoint subgraphs and perform a careful analysis of the data-generating distributions to provide strong privacy guarantees. Through extensive experiments, we show that our method greatly outperforms the state-of-the-art baseline on three large graphs, and matches or outperforms it on four smaller ones.

Machine learning models are typically evaluated by computing similarity with reference annotations and trained by maximizing similarity with such. Especially in the bio-medical domain, annotations are subjective and suffer from low inter- and intra-rater reliability. Since annotations only reflect the annotation entity's interpretation of the real world, this can lead to sub-optimal predictions even though the model achieves high similarity scores. Here, the theoretical concept of Peak Ground Truth (PGT) is introduced. PGT marks the point beyond which an increase in similarity with the reference annotation stops translating to better Real World Model Performance (RWMP). Additionally, a quantitative technique to approximate PGT by computing inter- and intra-rater reliability is proposed. Finally, three categories of PGT-aware strategies to evaluate and improve model performance are reviewed.

In this paper, we present a novel visual SLAM and long-term localization benchmark for autonomous driving in challenging conditions based on the large-scale 4Seasons dataset. The proposed benchmark provides drastic appearance variations caused by seasonal changes and diverse weather and illumination conditions. While significant progress has been made in advancing visual SLAM on small-scale datasets with similar conditions, there is still a lack of unified benchmarks representative of real-world scenarios for autonomous driving. We introduce a new unified benchmark for jointly evaluating visual odometry, global place recognition, and map-based visual localization performance which is crucial to successfully enable autonomous driving in any condition. The data has been collected for more than one year, resulting in more than 300 km of recordings in nine different environments ranging from a multi-level parking garage to urban (including tunnels) to countryside and highway. We provide globally consistent reference poses with up to centimeter-level accuracy obtained from the fusion of direct stereo-inertial odometry with RTK GNSS. We evaluate the performance of several state-of-the-art visual odometry and visual localization baseline approaches on the benchmark and analyze their properties. The experimental results provide new insights into current approaches and show promising potential for future research. Our benchmark and evaluation protocols will be available at https://www.4seasons-dataset.com/.