The brisk progression of the industrial digital innovation, leading to high degree of automation and big data transfer in manufacturing technologies, demands continuous development of appropriate off-line metrology methods to support processes' quality with a tolerable assessment of the measurement uncertainty. On the one hand specific-area references propose methods that are not yet well optimized to the changed background, and on the other, international general recommendations guide to effective uncertainty evaluation, but suggesting procedures that are not necessarily proven efficient at the micro- and nano-dimensional scale. The well-known GUM approach (i.e. frequentist statistics) was analyzed with the aim to test consistently its applicability to micro/nano dimensional and surface topography measurements. The investigation assessed three different clarifying situations, giving rise to consistent model equations, and to the achievement of the traceability. The choice of the cases provided a number of influence factors, which are typical liabilities at the micro and nano-length scale, and that have been related to the correction of the systematic behavior, viz. the amount of repeated measurements, the time sequence of the acquired micrographs and the instruments used. Such approach allowed the successful implementation of the GUM approach to micro/nano dimensional and topographic measurements, and also the appraisal of the level of efficacy of the method, its application limits and hints on possible future developments.
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Aerosol particles play an important role in the climate system by absorbing and scattering radiation and influencing cloud properties. They are also one of the biggest sources of uncertainty for climate modeling. Many climate models do not include aerosols in sufficient detail. In order to achieve higher accuracy, aerosol microphysical properties and processes have to be accounted for. This is done in the ECHAM-HAM global climate aerosol model using the M7 microphysics model, but increased computational costs make it very expensive to run at higher resolutions or for a longer time. We aim to use machine learning to approximate the microphysics model at sufficient accuracy and reduce the computational cost by being fast at inference time. The original M7 model is used to generate data of input-output pairs to train a neural network on it. By using a special logarithmic transform we are able to learn the variables tendencies achieving an average $R^2$ score of $89\%$. On a GPU we achieve a speed-up of 120 compared to the original model.
Proteins perform critical processes in all living systems: converting solar energy into chemical energy, replicating DNA, as the basis of highly performant materials, sensing and much more. While an incredible range of functionality has been sampled in nature, it accounts for a tiny fraction of the possible protein universe. If we could tap into this pool of unexplored protein structures, we could search for novel proteins with useful properties that we could apply to tackle the environmental and medical challenges facing humanity. This is the purpose of protein design. Sequence design is an important aspect of protein design, and many successful methods to do this have been developed. Recently, deep-learning methods that frame it as a classification problem have emerged as a powerful approach. Beyond their reported improvement in performance, their primary advantage over physics-based methods is that the computational burden is shifted from the user to the developers, thereby increasing accessibility to the design method. Despite this trend, the tools for assessment and comparison of such models remain quite generic. The goal of this paper is to both address the timely problem of evaluation and to shine a spotlight, within the Machine Learning community, on specific assessment criteria that will accelerate impact. We present a carefully curated benchmark set of proteins and propose a number of standard tests to assess the performance of deep learning based methods. Our robust benchmark provides biological insight into the behaviour of design methods, which is essential for evaluating their performance and utility. We compare five existing models with two novel models for sequence prediction. Finally, we test the designs produced by these models with AlphaFold2, a state-of-the-art structure-prediction algorithm, to determine if they are likely to fold into the intended 3D shapes.
Reinforcement Learning (RL) is a powerful mathematical framework that allows robots to learn complex skills by trial-and-error. Despite numerous successes in many applications, RL algorithms still require thousands of trials to converge to high-performing policies, can produce dangerous behaviors while learning, and the optimized policies (usually modeled as neural networks) give almost zero explanation when they fail to perform the task. For these reasons, the adoption of RL in industrial settings is not common. Behavior Trees (BTs), on the other hand, can provide a policy representation that a) supports modular and composable skills, b) allows for easy interpretation of the robot actions, and c) provides an advantageous low-dimensional parameter space. In this paper, we present a novel algorithm that can learn the parameters of a BT policy in simulation and then generalize to the physical robot without any additional training. We leverage a physical simulator with a digital twin of our workstation, and optimize the relevant parameters with a black-box optimizer. We showcase the efficacy of our method with a 7-DOF KUKA-iiwa manipulator in a task that includes obstacle avoidance and a contact-rich insertion (peg-in-hole), in which our method outperforms the baselines.
This paper proposes a paradigm shift for affective computing by viewing the affect modeling task as a reinforcement learning process. According to our proposed framework the context (environment) and the actions of an agent define the common representation that interweaves behavior and affect. To realise this framework we build on recent advances in reinforcement learning and use a modified version of the Go-Explore algorithm which has showcased supreme performance in hard exploration tasks. In this initial study, we test our framework in an arcade game by training Go-Explore agents to both play optimally and attempt to mimic human demonstrations of arousal. We vary the degree of importance between optimal play and arousal imitation and create agents that can effectively display a palette of affect and behavioral patterns. Our Go-Explore implementation not only introduces a new paradigm for affect modeling; it empowers believable AI-based game testing by providing agents that can blend and express a multitude of behavioral and affective patterns.
The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.
Recent advances have spurred incredible progress in self-supervised pretraining for vision. We investigate what factors may play a role in the utility of these pretraining methods for practitioners. To do this, we evaluate various self-supervised algorithms across a comprehensive array of synthetic datasets and downstream tasks. We prepare a suite of synthetic data that enables an endless supply of annotated images as well as full control over dataset difficulty. Our experiments offer insights into how the utility of self-supervision changes as the number of available labels grows as well as how the utility changes as a function of the downstream task and the properties of the training data. We also find that linear evaluation does not correlate with finetuning performance. Code and data is available at \href{//www.github.com/princeton-vl/selfstudy}{github.com/princeton-vl/selfstudy}.
In the last few years, deep multi-agent reinforcement learning (RL) has become a highly active area of research. A particularly challenging class of problems in this area is partially observable, cooperative, multi-agent learning, in which teams of agents must learn to coordinate their behaviour while conditioning only on their private observations. This is an attractive research area since such problems are relevant to a large number of real-world systems and are also more amenable to evaluation than general-sum problems. Standardised environments such as the ALE and MuJoCo have allowed single-agent RL to move beyond toy domains, such as grid worlds. However, there is no comparable benchmark for cooperative multi-agent RL. As a result, most papers in this field use one-off toy problems, making it difficult to measure real progress. In this paper, we propose the StarCraft Multi-Agent Challenge (SMAC) as a benchmark problem to fill this gap. SMAC is based on the popular real-time strategy game StarCraft II and focuses on micromanagement challenges where each unit is controlled by an independent agent that must act based on local observations. We offer a diverse set of challenge maps and recommendations for best practices in benchmarking and evaluations. We also open-source a deep multi-agent RL learning framework including state-of-the-art algorithms. We believe that SMAC can provide a standard benchmark environment for years to come. Videos of our best agents for several SMAC scenarios are available at: //youtu.be/VZ7zmQ_obZ0.
Clustering is an essential data mining tool that aims to discover inherent cluster structure in data. For most applications, applying clustering is only appropriate when cluster structure is present. As such, the study of clusterability, which evaluates whether data possesses such structure, is an integral part of cluster analysis. However, methods for evaluating clusterability vary radically, making it challenging to select a suitable measure. In this paper, we perform an extensive comparison of measures of clusterability and provide guidelines that clustering users can reference to select suitable measures for their applications.
Machine Learning models become increasingly proficient in complex tasks. However, even for experts in the field, it can be difficult to understand what the model learned. This hampers trust and acceptance, and it obstructs the possibility to correct the model. There is therefore a need for transparency of machine learning models. The development of transparent classification models has received much attention, but there are few developments for achieving transparent Reinforcement Learning (RL) models. In this study we propose a method that enables a RL agent to explain its behavior in terms of the expected consequences of state transitions and outcomes. First, we define a translation of states and actions to a description that is easier to understand for human users. Second, we developed a procedure that enables the agent to obtain the consequences of a single action, as well as its entire policy. The method calculates contrasts between the consequences of a policy derived from a user query, and of the learned policy of the agent. Third, a format for generating explanations was constructed. A pilot survey study was conducted to explore preferences of users for different explanation properties. Results indicate that human users tend to favor explanations about policy rather than about single actions.
Although reinforcement learning methods can achieve impressive results in simulation, the real world presents two major challenges: generating samples is exceedingly expensive, and unexpected perturbations can cause proficient but narrowly-learned policies to fail at test time. In this work, we propose to learn how to quickly and effectively adapt online to new situations as well as to perturbations. To enable sample-efficient meta-learning, we consider learning online adaptation in the context of model-based reinforcement learning. Our approach trains a global model such that, when combined with recent data, the model can be be rapidly adapted to the local context. Our experiments demonstrate that our approach can enable simulated agents to adapt their behavior online to novel terrains, to a crippled leg, and in highly-dynamic environments.
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