Swift and significant gains against climate change require the creation of novel, environmentally benign, and energy-efficient materials. One of the richest veins researchers hope to tap in creating such useful compounds is a vast chemical space where molecular combinations that offer remarkable optical, conductive, magnetic, and heat transfer properties await discovery. But finding these new materials has been slow going. "While computational modeling has enabled us to discover and predict properties of new materials much faster than experimentation, these models aren't always trustworthy," says Heather J. Kulik PhD '09, associate professor in the departments of Chemical Engineering and Chemistry. "In order to accelerate computational discovery of materials, we need better methods for removing uncertainty and making our predictions more accurate."

LG Electronics (LG) announces that production of its Inverter Direct Drive (DD) motor has exceeded 100 million units. The company's differentiated motor technology is a major factor in the strong, reliable performance and continuing global popularity of LG's industry-leading laundry solutions. LG's Inverter DD motor connects directly to the washing drum, an innovation that helps make LG washing machines more durable and dramatically reduces noise and energy consumption during operation. LG has refined the Inverter DD motor over four generations, continuously improving the technology and its performance capabilities to deliver greater customer value. The company holds over 240 Inverter DD motor related technology patents in Korea and internationally.

Perching on {the surface} of moving objects, like vehicles, could extend the flight {time} and range of quadrotors. Suction cups are usually adopted for {surface attachment} due to their durability and large adhesive force. To seal on {a surfaces}, suction cups {must} be aligned with {the surface} and {possess proper relative tangential velocity}. {However, quadrotors' attitude and relative velocity errors would become significant when the object surface is moving and inclined. To address this problem, we proposed a real-time trajectory planning algorithm. The time-optimal aggressive trajectory is efficiently generated through multimodal search in a dynamic time-domain. The velocity errors relative to the moving surface are alleviated.} To further adapt to the residual errors, we design a compliant gripper using self-sealing cups. Multiple cups in different directions are integrated into a wheel-like mechanism to increase the tolerance to attitude errors. The wheel mechanism also eliminates the requirement of matching the attitude and tangential velocity. {Extensive tests are conducted to perch on static and moving surfaces at various inclinations.} Results demonstrate that our proposed system enables a quadrotor to reliably perch on moving inclined surfaces (up to $1.07m/s$ and $90^\circ$) with a success rate of $70\%$ or higher. {The efficacy of the trajectory planner is also validated. Our gripper has larger adaptability to attitude errors and tangential velocities than conventional suction cup grippers.} The success rate increases by 45\% in dynamic perches.

We study the combinatorial assignment domain, which includes combinatorial auctions and course allocation. The main challenge in this domain is that the bundle space grows exponentially in the number of items. To address this, several papers have recently proposed machine learning-based preference elicitation algorithms that aim to elicit only the most important information from agents. However, the main shortcoming of this prior work is that it does not model a mechanism's uncertainty over values for not yet elicited bundles. In this paper, we address this shortcoming by presenting a Bayesian optimization-based combinatorial assignment (BOCA) mechanism. Our key technical contribution is to integrate a method for capturing model uncertainty into an iterative combinatorial auction mechanism. Concretely, we design a new method for estimating an upper uncertainty bound that can be used to define an acquisition function to determine the next query to the agents. This enables the mechanism to properly explore (and not just exploit) the bundle space during its preference elicitation phase. We run computational experiments in several spectrum auction domains to evaluate BOCA's performance. Our results show that BOCA achieves higher allocative efficiency than state-of-the-art approaches.

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

The goal of this paper is to make a strong point for the usage of dynamical models when using reinforcement learning (RL) for feedback control of dynamical systems governed by partial differential equations (PDEs). To breach the gap between the immense promises we see in RL and the applicability in complex engineering systems, the main challenges are the massive requirements in terms of the training data, as well as the lack of performance guarantees. We present a solution for the first issue using a data-driven surrogate model in the form of a convolutional LSTM with actuation. We demonstrate that learning an actuated model in parallel to training the RL agent significantly reduces the total amount of required data sampled from the real system. Furthermore, we show that iteratively updating the model is of major importance to avoid biases in the RL training. Detailed ablation studies reveal the most important ingredients of the modeling process. We use the chaotic Kuramoto-Sivashinsky equation do demonstarte our findings.

In cooperative multi-agent robotic systems, coordination is necessary in order to complete a given task. Important examples include search and rescue, operations in hazardous environments, and environmental monitoring. Coordination, in turn, requires simultaneous satisfaction of safety critical constraints, in the form of state and input constraints, and a connectivity constraint, in order to ensure that at every time instant there exists a communication path between every pair of agents in the network. In this work, we present a model predictive controller that tackles the problem of performing multi-agent coordination while simultaneously satisfying safety critical and connectivity constraints. The former is formulated in the form of state and input constraints and the latter as a constraint on the second smallest eigenvalue of the associated communication graph Laplacian matrix, also known as Fiedler eigenvalue, which enforces the connectivity of the communication network. We propose a sequential quadratic programming formulation to solve the associated optimization problem that is amenable to distributed optimization, making the proposed solution suitable for control of multi-agent robotics systems relying on local computation. Finally, the effectiveness of the algorithm is highlighted with a numerical simulation.

We consider the problem of correct motion planning for T-intersection merge-ins of arbitrary geometry and vehicle density. A merge-in support system has to estimate the chances that a gap between two consecutive vehicles can be taken successfully. In contrast to previous models based on heuristic gap size rules, we present an approach which optimizes the integral risk of the situation using parametrized velocity ramps. It accounts for the risks from curves and all involved vehicles (front and rear on all paths) with a so-called survival analysis. For comparison, we also introduce a specially designed extension of the Intelligent Driver Model (IDM) for entering intersections. We show in a quantitative statistical evaluation that the survival method provides advantages in terms of lower absolute risk (i.e., no crash happens) and better risk-utility tradeoff (i.e., making better use of appearing gaps). Furthermore, our approach generalizes to more complex situations with additional risk sources.

This work addresses the task of risk evaluation in traffic scenarios with limited observability due to restricted sensorial coverage. Here, we concentrate on intersection scenarios that are difficult to access visually. To identify the area of sight, we employ ray casting on a local dynamic map providing geometrical information and road infrastructure. Based on the area with reduced visibility, we first model scene entities that pose a potential risk without being visually perceivable yet. Then, we predict a worst-case trajectory in the survival analysis for collision risk estimation. Resulting risk indicators are utilized to evaluate the driver's current behavior, to warn the driver in critical situations, to give suggestions on how to act safely or to plan safe trajectories. We validate our approach by applying the resulting intersection warning system on real world scenarios. The proposed system's behavior reveals to mimic the general behavior of a correctly acting human driver.

State-sponsored trolls are the main actors of influence campaigns on social media and automatic troll detection is important to combat misinformation at scale. Existing troll detection models are developed based on training data for known campaigns (e.g.\ the influence campaign by Russia's Internet Research Agency on the 2016 US Election), and they fall short when dealing with {\em novel} campaigns with new targets. We propose MetaTroll, a text-based troll detection model based on the meta-learning framework that enables high portability and parameter-efficient adaptation to new campaigns using only a handful of labelled samples for few-shot transfer. We introduce \textit{campaign-specific} transformer adapters to MetaTroll to ``memorise'' campaign-specific knowledge so as to tackle catastrophic forgetting, where a model ``forgets'' how to detect trolls from older campaigns due to continual adaptation. Our experiments demonstrate that MetaTroll substantially outperforms baselines and state-of-the-art few-shot text classification models. Lastly, we explore simple approaches to extend MetaTroll to multilingual and multimodal detection. Source code for MetaTroll is available at: https://github.com/ltian678/metatroll-code.git.