在这项工作中，我们提出了一个端到端的图形网络，其使用可解释的电感偏差来学习粒子基物理学的前进和逆模型。物理知识的神经网络通常通过特定于问题的正则化和损失功能来解决特定问题。这种显式学习偏置网络以学习数据特定模式，并且可能需要在特此限制其Generalizabiliy的丢失功能或神经网络架构的变化。虽然最近的研究已经提出了图形网络来研究前瞻性动态，但它们依赖于粒子特定参数，例如质量等。我们的图形网络通过学习来隐含地偏见，以解决多项任务，从而在任务之间共享表示，以便学习前向动态以及推断未知粒子特定属性的概率分布。我们在一步的下一个状态预测任务上评估了我们的方法，这些任务跨越具有不同粒子交互的不同数据集。我们对相关数据驱动物理学学习方法的比较揭示了我们的模型能够预测至少一种更高的准确度的前向动态。我们还表明，我们的方法能够使用较少的样本的数量令恢复未知物理参数的多模态概率分布。

Imitation learning (IL) is a simple and powerful way to use high-quality human driving data, which can be collected at scale, to identify driving preferences and produce human-like behavior. However, policies based on imitation learning alone often fail to sufficiently account for safety and reliability concerns. In this paper, we show how imitation learning combined with reinforcement learning using simple rewards can substantially improve the safety and reliability of driving policies over those learned from imitation alone. In particular, we use a combination of imitation and reinforcement learning to train a policy on over 100k miles of urban driving data, and measure its effectiveness in test scenarios grouped by different levels of collision risk. To our knowledge, this is the first application of a combined imitation and reinforcement learning approach in autonomous driving that utilizes large amounts of real-world human driving data.

Course load analytics (CLA) inferred from LMS and enrollment features can offer a more accurate representation of course workload to students than credit hours and potentially aid in their course selection decisions. In this study, we produce and evaluate the first machine-learned predictions of student course load ratings and generalize our model to the full 10,000 course catalog of a large public university. We then retrospectively analyze longitudinal differences in the semester load of student course selections throughout their degree. CLA by semester shows that a student's first semester at the university is among their highest load semesters, as opposed to a credit hour-based analysis, which would indicate it is among their lowest. Investigating what role predicted course load may play in program retention, we find that students who maintain a semester load that is low as measured by credit hours but high as measured by CLA are more likely to leave their program of study. This discrepancy in course load is particularly pertinent in STEM and associated with high prerequisite courses. Our findings have implications for academic advising, institutional handling of the freshman experience, and student-facing analytics to help students better plan, anticipate, and prepare for their selected courses.

Reliably planning fingertip grasps for multi-fingered hands lies as a key challenge for many tasks including tool use, insertion, and dexterous in-hand manipulation. This task becomes even more difficult when the robot lacks an accurate model of the object to be grasped. Tactile sensing offers a promising approach to account for uncertainties in object shape. However, current robotic hands tend to lack full tactile coverage. As such, a problem arises of how to plan and execute grasps for multi-fingered hands such that contact is made with the area covered by the tactile sensors. To address this issue, we propose an approach to grasp planning that explicitly reasons about where the fingertips should contact the estimated object surface while maximizing the probability of grasp success. Key to our method's success is the use of visual surface estimation for initial planning to encode the contact constraint. The robot then executes this plan using a tactile-feedback controller that enables the robot to adapt to online estimates of the object's surface to correct for errors in the initial plan. Importantly, the robot never explicitly integrates object pose or surface estimates between visual and tactile sensing, instead it uses the two modalities in complementary ways. Vision guides the robots motion prior to contact; touch updates the plan when contact occurs differently than predicted from vision. We show that our method successfully synthesises and executes precision grasps for previously unseen objects using surface estimates from a single camera view. Further, our approach outperforms a state of the art multi-fingered grasp planner, while also beating several baselines we propose.

Hawkes processes have recently risen to the forefront of tools when it comes to modeling and generating sequential events data. Multidimensional Hawkes processes model both the self and cross-excitation between different types of events and have been applied successfully in various domain such as finance, epidemiology and personalized recommendations, among others. In this work we present an adaptation of the Frank-Wolfe algorithm for learning multidimensional Hawkes processes. Experimental results show that our approach has better or on par accuracy in terms of parameter estimation than other first order methods, while enjoying a significantly faster runtime.

Importance: Social determinants of health (SDOH) are known to be associated with increased risk of suicidal behaviors, but few studies utilized SDOH from unstructured electronic health record (EHR) notes. Objective: To investigate associations between suicide and recent SDOH, identified using structured and unstructured data. Design: Nested case-control study. Setting: EHR data from the US Veterans Health Administration (VHA). Participants: 6,122,785 Veterans who received care in the US VHA between October 1, 2010, and September 30, 2015. Exposures: Occurrence of SDOH over a maximum span of two years compared with no occurrence of SDOH. Main Outcomes and Measures: Cases of suicide deaths were matched with 4 controls on birth year, cohort entry date, sex, and duration of follow-up. We developed an NLP system to extract SDOH from unstructured notes. Structured data, NLP on unstructured data, and combining them yielded seven, eight and nine SDOH respectively. Adjusted odds ratios (aORs) and 95% confidence intervals (CIs) were estimated using conditional logistic regression. Results: In our cohort, 8,821 Veterans committed suicide during 23,725,382 person-years of follow-up (incidence rate 37.18 /100,000 person-years). Our cohort was mostly male (92.23%) and white (76.99%). Across the six common SDOH as covariates, NLP-extracted SDOH, on average, covered 84.38% of all SDOH occurrences. All SDOH, measured by structured data and NLP, were significantly associated with increased risk of suicide. The SDOH with the largest effects was legal problems (aOR=2.67, 95% CI=2.46-2.89), followed by violence (aOR=2.26, 95% CI=2.11-2.43). NLP-extracted and structured SDOH were also associated with suicide. Conclusions and Relevance: NLP-extracted SDOH were always significantly associated with increased risk of suicide among Veterans, suggesting the potential of NLP in public health studies.

Multilevel Stein variational gradient descent is a method for particle-based variational inference that leverages hierarchies of approximations of target distributions with varying costs and fidelity to computationally speed up inference. This work provides a cost complexity analysis of multilevel Stein variational gradient descent that applies under milder conditions than previous results, especially in discrete-in-time regimes and beyond the limited settings where Stein variational gradient descent achieves exponentially fast convergence. The analysis shows that the convergence rate of Stein variational gradient descent enters only as a constant factor for the cost complexity of the multilevel version, which means that the costs of the multilevel version scale independently of the convergence rate of Stein variational gradient descent on a single level. Numerical experiments with Bayesian inverse problems of inferring discretized basal sliding coefficient fields of the Arolla glacier ice demonstrate that multilevel Stein variational gradient descent achieves orders of magnitude speedups compared to its single-level version.

Protein structure prediction is a fundamental problem in computational molecular biology. Classical algorithms such as ab-initio or threading as well as many learning methods have been proposed to solve this challenging problem. However, most reinforcement learning methods tend to model the state-action pairs as discrete objects. In this paper, we develop a reinforcement learning (RL) framework in a continuous setting and based on a stochastic parametrized Hamiltonian version of the Pontryagin maximum principle (PMP) to solve the side-chain packing and protein-folding problem. For special cases our formulation can be reduced to previous work where the optimal folding trajectories are trained using an explicit use of Langevin dynamics. Optimal continuous stochastic Hamiltonian dynamics folding pathways can be derived with use of different models of molecular energetics and force fields. In our RL implementation we adopt a soft actor-critic methodology however we can replace this other RL training based on A2C, A3C or PPO.

Long short-term memory (LSTM) is a type of powerful deep neural network that has been widely used in many sequence analysis and modeling applications. However, the large model size problem of LSTM networks make their practical deployment still very challenging, especially for the video recognition tasks that require high-dimensional input data. Aiming to overcome this limitation and fully unlock the potentials of LSTM models, in this paper we propose to perform algorithm and hardware co-design towards high-performance energy-efficient LSTM networks. At algorithm level, we propose to develop fully decomposed hierarchical Tucker (FDHT) structure-based LSTM, namely FDHT-LSTM, which enjoys ultra-low model complexity while still achieving high accuracy. In order to fully reap such attractive algorithmic benefit, we further develop the corresponding customized hardware architecture to support the efficient execution of the proposed FDHT-LSTM model. With the delicate design of memory access scheme, the complicated matrix transformation can be efficiently supported by the underlying hardware without any access conflict in an on-the-fly way. Our evaluation results show that both the proposed ultra-compact FDHT-LSTM models and the corresponding hardware accelerator achieve very high performance. Compared with the state-of-the-art compressed LSTM models, FDHT-LSTM enjoys both order-of-magnitude reduction in model size and significant accuracy improvement across different video recognition datasets. Meanwhile, compared with the state-of-the-art tensor decomposed model-oriented hardware TIE, our proposed FDHT-LSTM architecture achieves better performance in throughput, area efficiency and energy efficiency, respectively on LSTM-Youtube workload. For LSTM-UCF workload, our proposed design also outperforms TIE with higher throughput, higher energy efficiency and comparable area efficiency.

We apply Physics Informed Neural Networks (PINNs) to the problem of wildfire fire-front modelling. The PINN is an approach that integrates a differential equation into the optimisation loss function of a neural network to guide the neural network to learn the physics of a problem. We apply the PINN to the level-set equation, which is a Hamilton-Jacobi partial differential equation that models a fire-front with the zero-level set. This results in a PINN that simulates a fire-front as it propagates through a spatio-temporal domain. We demonstrate the agility of the PINN to learn physical properties of a fire under extreme changes in external conditions (such as wind) and show that this approach encourages continuity of the PINN's solution across time. Furthermore, we demonstrate how data assimilation and uncertainty quantification can be incorporated into the PINN in the wildfire context. This is significant contribution to wildfire modelling as the level-set method -- which is a standard solver to the level-set equation -- does not naturally provide this capability.