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The traditional viewpoint on Sparse Mixture of Experts (MoE) models is that instead of training a single large expert, which is computationally expensive, we can train many small experts. The hope is that if the total parameter count of the small experts equals that of the singular large expert, then we retain the representation power of the large expert while gaining computational tractability and promoting expert specialization. The recently introduced Soft MoE replaces the Sparse MoE's discrete routing mechanism with a differentiable gating function that smoothly mixes tokens. While this smooth gating function successfully mitigates the various training instabilities associated with Sparse MoE, it is unclear whether it induces implicit biases that affect Soft MoE's representation power or potential for expert specialization. We prove that Soft MoE with a single arbitrarily powerful expert cannot represent simple convex functions. This justifies that Soft MoE's success cannot be explained by the traditional viewpoint of many small experts collectively mimicking the representation power of a single large expert, and that multiple experts are actually necessary to achieve good representation power (even for a fixed total parameter count). Continuing along this line of investigation, we introduce a notion of expert specialization for Soft MoE, and while varying the number of experts yet fixing the total parameter count, we consider the following (computationally intractable) task. Given any input, how can we discover the expert subset that is specialized to predict this input's label? We empirically show that when there are many small experts, the architecture is implicitly biased in a fashion that allows us to efficiently approximate the specialized expert subset. Our method can be easily implemented to potentially reduce computation during inference., Comment: 21 pages, 5 figures, 13 tables

Multi-agent proximal policy optimization (MAPPO) has recently demonstrated state-of-the-art performance on challenging multi-agent reinforcement learning tasks. However, MAPPO still struggles with the credit assignment problem, wherein the sheer difficulty in ascribing credit to individual agents' actions scales poorly with team size. In this paper, we propose a multi-agent reinforcement learning algorithm that adapts recent developments in credit assignment to improve upon MAPPO. Our approach leverages partial reward decoupling (PRD), which uses a learned attention mechanism to estimate which of a particular agent's teammates are relevant to its learning updates. We use this estimate to dynamically decompose large groups of agents into smaller, more manageable subgroups. We empirically demonstrate that our approach, PRD-MAPPO, decouples agents from teammates that do not influence their expected future reward, thereby streamlining credit assignment. We additionally show that PRD-MAPPO yields significantly higher data efficiency and asymptotic performance compared to both MAPPO and other state-of-the-art methods across several multi-agent tasks, including StarCraft II. Finally, we propose a version of PRD-MAPPO that is applicable to \textit{shared} reward settings, where PRD was previously not applicable, and empirically show that this also leads to performance improvements over MAPPO., Comment: 20 pages, 5 figures, 12 tables, Reinforcement Learning Journal and Reinforcement Learning Conference 2024

Multi-agent reinforcement learning (MARL) tasks often utilize a centralized training with decentralized execution (CTDE) framework. QMIX is a successful CTDE method that learns a credit assignment function to derive local value functions from a global value function, defining a deterministic local policy. However, QMIX is hindered by its poor exploration strategy. While maximum entropy reinforcement learning (RL) promotes better exploration through stochastic policies, QMIX's process of credit assignment conflicts with the maximum entropy objective and the decentralized execution requirement, making it unsuitable for maximum entropy RL. In this paper, we propose an enhancement to QMIX by incorporating an additional local Q-value learning method within the maximum entropy RL framework. Our approach constrains the local Q-value estimates to maintain the correct ordering of all actions. Due to the monotonicity of the QMIX value function, these updates ensure that locally optimal actions align with globally optimal actions. We theoretically prove the monotonic improvement and convergence of our method to an optimal solution. Experimentally, we validate our algorithm in matrix games, Multi-Agent Particle Environment and demonstrate state-of-the-art performance in SMAC-v2.

Motion planning is crucial for safe navigation in complex urban environments. Historically, motion planners (MPs) have been evaluated with procedurally-generated simulators like CARLA. However, such synthetic benchmarks do not capture real-world multi-agent interactions. nuPlan, a recently released MP benchmark, addresses this limitation by augmenting real-world driving logs with closed-loop simulation logic, effectively turning the fixed dataset into a reactive simulator. We analyze the characteristics of nuPlan's recorded logs and find that each city has its own unique driving behaviors, suggesting that robust planners must adapt to different environments. We learn to model such unique behaviors with BehaviorNet, a graph convolutional neural network (GCNN) that predicts reactive agent behaviors using features derived from recently-observed agent histories; intuitively, some aggressive agents may tailgate lead vehicles, while others may not. To model such phenomena, BehaviorNet predicts parameters of an agent's motion controller rather than predicting its spacetime trajectory (as most forecasters do). Finally, we present AdaptiveDriver, a model-predictive control (MPC) based planner that unrolls different world models conditioned on BehaviorNet's predictions. Our extensive experiments demonstrate that AdaptiveDriver achieves state-of-the-art results on the nuPlan closed-loop planning benchmark, reducing test error from 6.4% to 4.6%, even when applied to never-before-seen cities., Comment: Project Page: https://arunbalajeev.github.io/world_models_planning/world_model_paper.html

Large language models (LLMs) are trained on a vast amount of human-written data, but data providers often remain uncredited. In response to this issue, data valuation (or data attribution), which quantifies the contribution or value of each data to the model output, has been discussed as a potential solution. Nevertheless, applying existing data valuation methods to recent LLMs and their vast training datasets has been largely limited by prohibitive compute and memory costs. In this work, we focus on influence functions, a popular gradient-based data valuation method, and significantly improve its scalability with an efficient gradient projection strategy called LoGra that leverages the gradient structure in backpropagation. We then provide a theoretical motivation of gradient projection approaches to influence functions to promote trust in the data valuation process. Lastly, we lower the barrier to implementing data valuation systems by introducing LogIX, a software package that can transform existing training code into data valuation code with minimal effort. In our data valuation experiments, LoGra achieves competitive accuracy against more expensive baselines while showing up to 6,500x improvement in throughput and 5x reduction in GPU memory usage when applied to Llama3-8B-Instruct and the 1B-token dataset.

Learning from preference labels plays a crucial role in fine-tuning large language models. There are several distinct approaches for preference fine-tuning, including supervised learning, on-policy reinforcement learning (RL), and contrastive learning. Different methods come with different implementation tradeoffs and performance differences, and existing empirical findings present different conclusions, for instance, some results show that online RL is quite important to attain good fine-tuning results, while others find (offline) contrastive or even purely supervised methods sufficient. This raises a natural question: what kind of approaches are important for fine-tuning with preference data and why? In this paper, we answer this question by performing a rigorous analysis of a number of fine-tuning techniques on didactic and full-scale LLM problems. Our main finding is that, in general, approaches that use on-policy sampling or attempt to push down the likelihood on certain responses (i.e., employ a "negative gradient") outperform offline and maximum likelihood objectives. We conceptualize our insights and unify methods that use on-policy sampling or negative gradient under a notion of mode-seeking objectives for categorical distributions. Mode-seeking objectives are able to alter probability mass on specific bins of a categorical distribution at a fast rate compared to maximum likelihood, allowing them to relocate masses across bins more effectively. Our analysis prescribes actionable insights for preference fine-tuning of LLMs and informs how data should be collected for maximal improvement., Comment: International Conference on Machine Learning (ICML), 2024

Although tokamaks are one of the most promising devices for realizing nuclear fusion as an energy source, there are still key obstacles when it comes to understanding the dynamics of the plasma and controlling it. As such, it is crucial that high quality models are developed to assist in overcoming these obstacles. In this work, we take an entirely data driven approach to learn such a model. In particular, we use historical data from the DIII-D tokamak to train a deep recurrent network that is able to predict the full time evolution of plasma discharges (or "shots"). Following this, we investigate how different training and inference procedures affect the quality and calibration of the shot predictions.

Significant progress has been made in training multimodal trajectory forecasting models for autonomous driving. However, effectively integrating these models with downstream planners and model-based control approaches is still an open problem. Although these models have conventionally been evaluated for open-loop prediction, we show that they can be used to parameterize autoregressive closed-loop models without retraining. We consider recent trajectory prediction approaches which leverage learned anchor embeddings to predict multiple trajectories, finding that these anchor embeddings can parameterize discrete and distinct modes representing high-level driving behaviors. We propose to perform fully reactive closed-loop planning over these discrete latent modes, allowing us to tractably model the causal interactions between agents at each step. We validate our approach on a suite of more dynamic merging scenarios, finding that our approach avoids the $\textit{frozen robot problem}$ which is pervasive in conventional planners. Our approach also outperforms the previous state-of-the-art in CARLA on challenging dense traffic scenarios when evaluated at realistic speeds.

Diffusion models excel at modeling complex and multimodal trajectory distributions for decision-making and control. Reward-gradient guided denoising has been recently proposed to generate trajectories that maximize both a differentiable reward function and the likelihood under the data distribution captured by a diffusion model. Reward-gradient guided denoising requires a differentiable reward function fitted to both clean and noised samples, limiting its applicability as a general trajectory optimizer. In this paper, we propose DiffusionES, a method that combines gradient-free optimization with trajectory denoising to optimize black-box non-differentiable objectives while staying in the data manifold. Diffusion-ES samples trajectories during evolutionary search from a diffusion model and scores them using a black-box reward function. It mutates high-scoring trajectories using a truncated diffusion process that applies a small number of noising and denoising steps, allowing for much more efficient exploration of the solution space. We show that DiffusionES achieves state-of-the-art performance on nuPlan, an established closed-loop planning benchmark for autonomous driving. Diffusion-ES outperforms existing sampling-based planners, reactive deterministic or diffusion-based policies, and reward-gradient guidance. Additionally, we show that unlike prior guidance methods, our method can optimize non-differentiable language-shaped reward functions generated by few-shot LLM prompting. When guided by a human teacher that issues instructions to follow, our method can generate novel, highly complex behaviors, such as aggressive lane weaving, which are not present in the training data. This allows us to solve the hardest nuPlan scenarios which are beyond the capabilities of existing trajectory optimization methods and driving policies.

Multi-agent multi-target tracking has a wide range of applications, including wildlife patrolling, security surveillance or environment monitoring. Such algorithms often make restrictive assumptions: the number of targets and/or their initial locations may be assumed known, or agents may be pre-assigned to monitor disjoint partitions of the environment, reducing the burden of exploration. This also limits applicability when there are fewer agents than targets, since agents are unable to continuously follow the targets in their fields of view. Multi-agent tracking algorithms additionally assume inter-agent synchronization of observations, or the presence of a central controller to coordinate joint actions. Instead, we focus on the setting of decentralized multi-agent, multi-target, simultaneous active search-and-tracking with asynchronous inter-agent communication. Our proposed algorithm DecSTER uses a sequential monte carlo implementation of the probability hypothesis density filter for posterior inference combined with Thompson sampling for decentralized multi-agent decision making. We compare different action selection policies, focusing on scenarios where targets outnumber agents. In simulation, we demonstrate that DecSTER is robust to unreliable inter-agent communication and outperforms information-greedy baselines in terms of the Optimal Sub-Pattern Assignment (OSPA) metric for different numbers of targets and varying teamsizes., Comment: Under review

Preference-based feedback is important for many applications in reinforcement learning where direct evaluation of a reward function is not feasible. A notable recent example arises in reinforcement learning from human feedback (RLHF) on large language models. For many applications of RLHF, the cost of acquiring the human feedback can be substantial. In this work, we take advantage of the fact that one can often choose contexts at which to obtain human feedback in order to most efficiently identify a good policy, and formalize this as an offline contextual dueling bandit problem. We give an upper-confidence-bound style algorithm for this problem and prove a polynomial worst-case regret bound. We then provide empirical confirmation in a synthetic setting that our approach outperforms existing methods. After, we extend the setting and methodology for practical use in RLHF training of large language models. Here, our method is able to reach better performance with fewer samples of human preferences than multiple baselines on three real-world datasets.

Stealthy multi-agent active search is the problem of making efficient sequential data-collection decisions to identify an unknown number of sparsely located targets while adapting to new sensing information and concealing the search agents' location from the targets. This problem is applicable to reconnaissance tasks wherein the safety of the search agents can be compromised as the targets may be adversarial. Prior work usually focuses either on adversarial search, where the risk of revealing the agents' location to the targets is ignored or evasion strategies where efficient search is ignored. We present the Stealthy Terrain-Aware Reconnaissance (STAR) algorithm, a multi-objective parallelized Thompson sampling-based algorithm that relies on a strong topographical prior to reason over changing visibility risk over the course of the search. The STAR algorithm outperforms existing state-of-the-art multi-agent active search methods on both rate of recovery of targets as well as minimising risk even when subject to noisy observations, communication failures and an unknown number of targets., Comment: 15 pages, 28 figures, for demo video see: https://youtu.be/Fs1lv4y6Nq8 , accepted for presentation in Conference on Robot Learning 2023, Atlanta, USA

Offline reinforcement learning (RL) holds promise as a means to learn high-reward policies from a static dataset, without the need for further environment interactions. However, a key challenge in offline RL lies in effectively stitching portions of suboptimal trajectories from the static dataset while avoiding extrapolation errors arising due to a lack of support in the dataset. Existing approaches use conservative methods that are tricky to tune and struggle with multi-modal data (as we show) or rely on noisy Monte Carlo return-to-go samples for reward conditioning. In this work, we propose a novel approach that leverages the expressiveness of latent diffusion to model in-support trajectory sequences as compressed latent skills. This facilitates learning a Q-function while avoiding extrapolation error via batch-constraining. The latent space is also expressive and gracefully copes with multi-modal data. We show that the learned temporally-abstract latent space encodes richer task-specific information for offline RL tasks as compared to raw state-actions. This improves credit assignment and facilitates faster reward propagation during Q-learning. Our method demonstrates state-of-the-art performance on the D4RL benchmarks, particularly excelling in long-horizon, sparse-reward tasks.

Preference-based feedback is important for many applications where direct evaluation of a reward function is not feasible. A notable recent example arises in reinforcement learning from human feedback on large language models. For many of these applications, the cost of acquiring the human feedback can be substantial or even prohibitive. In this work, we take advantage of the fact that often the agent can choose contexts at which to obtain human feedback in order to most efficiently identify a good policy, and introduce the offline contextual dueling bandit setting. We give an upper-confidence-bound style algorithm for this setting and prove a regret bound. We also give empirical confirmation that this method outperforms a similar strategy that uses uniformly sampled contexts.

The use of machine learning in algorithmic trading systems is increasingly common. In a typical set-up, supervised learning is used to predict the future prices of assets, and those predictions drive a simple trading and execution strategy. This is quite effective when the predictions have sufficient signal, markets are liquid, and transaction costs are low. However, those conditions often do not hold in thinly traded financial markets and markets for differentiated assets such as real estate or vehicles. In these markets, the trading strategy must consider the long-term effects of taking positions that are relatively more difficult to change. In this work, we propose a Reinforcement Learning (RL) algorithm that trades based on signals from a learned predictive model and addresses these challenges. We test our algorithm on 20+ years of equity data from Bursa Malaysia.

Deep reinforcement learning (RL) has shown immense potential for learning to control systems through data alone. However, one challenge deep RL faces is that the full state of the system is often not observable. When this is the case, the policy needs to leverage the history of observations to infer the current state. At the same time, differences between the training and testing environments makes it critical for the policy not to overfit to the sequence of observations it sees at training time. As such, there is an important balancing act between having the history encoder be flexible enough to extract relevant information, yet be robust to changes in the environment. To strike this balance, we look to the PID controller for inspiration. We assert the PID controller's success shows that only summing and differencing are needed to accumulate information over time for many control tasks. Following this principle, we propose two architectures for encoding history: one that directly uses PID features and another that extends these core ideas and can be used in arbitrary control tasks. When compared with prior approaches, our encoders produce policies that are often more robust and achieve better performance on a variety of tracking tasks. Going beyond tracking tasks, our policies achieve 1.7x better performance on average over previous state-of-the-art methods on a suite of locomotion control tasks., Comment: NeurIPS 2023

Robotic Perception in diverse domains such as low-light scenarios, where new modalities like thermal imaging and specialized night-vision sensors are increasingly employed, remains a challenge. Largely, this is due to the limited availability of labeled data. Existing Domain Adaptation (DA) techniques, while promising to leverage labels from existing well-lit RGB images, fail to consider the characteristics of the source domain itself. We holistically account for this factor by proposing Source Preparation (SP), a method to mitigate source domain biases. Our Almost Unsupervised Domain Adaptation (AUDA) framework, a label-efficient semi-supervised approach for robotic scenarios -- employs Source Preparation (SP), Unsupervised Domain Adaptation (UDA) and Supervised Alignment (SA) from limited labeled data. We introduce CityIntensified, a novel dataset comprising temporally aligned image pairs captured from a high-sensitivity camera and an intensifier camera for semantic segmentation and object detection in low-light settings. We demonstrate the effectiveness of our method in semantic segmentation, with experiments showing that SP enhances UDA across a range of visual domains, with improvements up to 40.64% in mIoU over baseline, while making target models more robust to real-world shifts within the target domain. We show that AUDA is a label-efficient framework for effective DA, significantly improving target domain performance with only tens of labeled samples from the target domain.

Robotic solutions for quick disaster response are essential to ensure minimal loss of life, especially when the search area is too dangerous or too vast for human rescuers. We model this problem as an asynchronous multi-agent active-search task where each robot aims to efficiently seek objects of interest (OOIs) in an unknown environment. This formulation addresses the requirement that search missions should focus on quick recovery of OOIs rather than full coverage of the search region. Previous approaches fail to accurately model sensing uncertainty, account for occlusions due to foliage or terrain, or consider the requirement for heterogeneous search teams and robustness to hardware and communication failures. We present the Generalized Uncertainty-aware Thompson Sampling (GUTS) algorithm, which addresses these issues and is suitable for deployment on heterogeneous multi-robot systems for active search in large unstructured environments. We show through simulation experiments that GUTS consistently outperforms existing methods such as parallelized Thompson Sampling and exhaustive search, recovering all OOIs in 80% of all runs. In contrast, existing approaches recover all OOIs in less than 40% of all runs. We conduct field tests using our multi-robot system in an unstructured environment with a search area of approximately 75,000 sq. m. Our system demonstrates robustness to various failure modes, achieving full recovery of OOIs (where feasible) in every field run, and significantly outperforming our baseline., Comment: 7 pages, 5 figures, 1 table, for associated video see: https://youtu.be/K0jkzdQ_j2E , to appear in International Conference on Robotics and Automation (ICRA) 2023

Many real-world reinforcement learning tasks require control of complex dynamical systems that involve both costly data acquisition processes and large state spaces. In cases where the transition dynamics can be readily evaluated at specified states (e.g., via a simulator), agents can operate in what is often referred to as planning with a \emph{generative model}. We propose the AE-LSVI algorithm for best-policy identification, a novel variant of the kernelized least-squares value iteration (LSVI) algorithm that combines optimism with pessimism for active exploration (AE). AE-LSVI provably identifies a near-optimal policy \emph{uniformly} over an entire state space and achieves polynomial sample complexity guarantees that are independent of the number of states. When specialized to the recently introduced offline contextual Bayesian optimization setting, our algorithm achieves improved sample complexity bounds. Experimentally, we demonstrate that AE-LSVI outperforms other RL algorithms in a variety of environments when robustness to the initial state is required.

Many potential applications of reinforcement learning (RL) are stymied by the large numbers of samples required to learn an effective policy. This is especially true when applying RL to real-world control tasks, e.g. in the sciences or robotics, where executing a policy in the environment is costly. In popular RL algorithms, agents typically explore either by adding stochasticity to a reward-maximizing policy or by attempting to gather maximal information about environment dynamics without taking the given task into account. In this work, we develop a method that allows us to plan for exploration while taking both the task and the current knowledge about the dynamics into account. The key insight to our approach is to plan an action sequence that maximizes the expected information gain about the optimal trajectory for the task at hand. We demonstrate that our method learns strong policies with 2x fewer samples than strong exploration baselines and 200x fewer samples than model free methods on a diverse set of low-to-medium dimensional control tasks in both the open-loop and closed-loop control settings., Comment: Conference paper at Neurips 2022. Code available at https://github.com/fusion-ml/trajectory-information-rl. arXiv admin note: text overlap with arXiv:2112.05244

Multi-agent active search requires autonomous agents to choose sensing actions that efficiently locate targets. In a realistic setting, agents also must consider the costs that their decisions incur. Previously proposed active search algorithms simplify the problem by ignoring uncertainty in the agent's environment, using myopic decision making, and/or overlooking costs. In this paper, we introduce an online active search algorithm to detect targets in an unknown environment by making adaptive cost-aware decisions regarding the agent's actions. Our algorithm combines principles from Thompson Sampling (for search space exploration and decentralized multi-agent decision making), Monte Carlo Tree Search (for long horizon planning) and pareto-optimal confidence bounds (for multi-objective optimization in an unknown environment) to propose an online lookahead planner that removes all the simplifications. We analyze the algorithm's performance in simulation to show its efficacy in cost aware active search.

Impressive results in natural language processing (NLP) based on the Transformer neural network architecture have inspired researchers to explore viewing offline reinforcement learning (RL) as a generic sequence modeling problem. Recent works based on this paradigm have achieved state-of-the-art results in several of the mostly deterministic offline Atari and D4RL benchmarks. However, because these methods jointly model the states and actions as a single sequencing problem, they struggle to disentangle the effects of the policy and world dynamics on the return. Thus, in adversarial or stochastic environments, these methods lead to overly optimistic behavior that can be dangerous in safety-critical systems like autonomous driving. In this work, we propose a method that addresses this optimism bias by explicitly disentangling the policy and world models, which allows us at test time to search for policies that are robust to multiple possible futures in the environment. We demonstrate our method's superior performance on a variety of autonomous driving tasks in simulation.

One critical challenge in deploying highly performant machine learning models in real-life applications is out of distribution (OOD) detection. Given a predictive model which is accurate on in distribution (ID) data, an OOD detection system will further equip the model with the option to defer prediction when the input is novel and the model has little confidence in prediction. There has been some recent interest in utilizing the gradient information in pre-trained models for OOD detection. While these methods have shown competitive performance, there are misconceptions about the true mechanism underlying them, which conflate their performance with the necessity of gradients. In this work, we provide an in-depth analysis and comparison of gradient based methods and elucidate the key components that warrant their OOD detection performance. We further propose a general, non-gradient based method of OOD detection which improves over previous baselines in both performance and computational efficiency.

The problem of offline reinforcement learning focuses on learning a good policy from a log of environment interactions. Past efforts for developing algorithms in this area have revolved around introducing constraints to online reinforcement learning algorithms to ensure the actions of the learned policy are constrained to the logged data. In this work, we explore an alternative approach by planning on the fixed dataset directly. Specifically, we introduce an algorithm which forms a tabular Markov Decision Process (MDP) over the logged data by adding new transitions to the dataset. We do this by using learned dynamics models to plan short trajectories between states. Since exact value iteration can be performed on this constructed MDP, it becomes easy to identify which trajectories are advantageous to add to the MDP. Crucially, since most transitions in this MDP come from the logged data, trajectories from the MDP can be rolled out for long periods with confidence. We prove that this property allows one to make upper and lower bounds on the value function up to appropriate distance metrics. Finally, we demonstrate empirically how algorithms that uniformly constrain the learned policy to the entire dataset can result in unwanted behavior, and we show an example in which simply behavior cloning the optimal policy of the MDP created by our algorithm avoids this problem., Comment: Accepted to NeurIPS Offline RL Workshop 2021

Active search, in applications like environment monitoring or disaster response missions, involves autonomous agents detecting targets in a search space using decision making algorithms that adapt to the history of their observations. Active search algorithms must contend with two types of uncertainty: detection uncertainty and location uncertainty. The more common approach in robotics is to focus on location uncertainty and remove detection uncertainty by thresholding the detection probability to zero or one. In contrast, it is common in the sparse signal processing literature to assume the target location is accurate and instead focus on the uncertainty of its detection. In this work, we first propose an inference method to jointly handle both target detection and location uncertainty. We then build a decision making algorithm on this inference method that uses Thompson sampling to enable decentralized multi-agent active search. We perform simulation experiments to show that our algorithms outperform competing baselines that only account for either target detection or location uncertainty. We finally demonstrate the real world transferability of our algorithms using a realistic simulation environment we created on the Unreal Engine 4 platform with an AirSim plugin., Comment: Accepted to ICRA 2023

Achieving robust performance is crucial when applying deep reinforcement learning (RL) in safety critical systems. Some of the state of the art approaches try to address the problem with adversarial agents, but these agents often require expert supervision to fine tune and prevent the adversary from becoming too challenging to the trainee agent. While other approaches involve automatically adjusting environment setups during training, they have been limited to simple environments where low-dimensional encodings can be used. Inspired by these approaches, we propose genetic curriculum, an algorithm that automatically identifies scenarios in which the agent currently fails and generates an associated curriculum to help the agent learn to solve the scenarios and acquire more robust behaviors. As a non-parametric optimizer, our approach uses a raw, non-fixed encoding of scenarios, reducing the need for expert supervision and allowing our algorithm to adapt to the changing performance of the agent. Our empirical studies show improvement in robustness over the existing state of the art algorithms, providing training curricula that result in agents being 2 - 8x times less likely to fail without sacrificing cumulative reward. We include an ablation study and share insights on why our algorithm outperforms prior approaches., Comment: Accepted to 2022 IEEE International Conference on Robotics and Automation (ICRA)

A robotic system of multiple unmanned ground vehicles (UGVs) and unmanned aerial vehicles (UAVs) has the potential for advancing autonomous object geolocation performance. Much research has focused on algorithmic improvements on individual components, such as navigation, motion planning, and perception. In this paper, we present a UGV-UAV object detection and geolocation system, which performs perception, navigation, and planning autonomously in real scale in unstructured environment. We designed novel sensor pods equipped with multispectral (visible, near-infrared, thermal), high resolution (181.6 Mega Pixels), stereo (near-infrared pair), wide field of view (192 degree HFOV) array. We developed a novel on-board software-hardware architecture to process the high volume sensor data in real-time, and we built a custom AI subsystem composed of detection, tracking, navigation, and planning for autonomous objects geolocation in real-time. This research is the first real scale demonstration of such high speed data processing capability. Our novel modular sensor pod can boost relevant computer vision and machine learning research. Our novel hardware-software architecture is a solid foundation for system-level and component-level research. Our system is validated through data-driven offline tests as well as a series of field tests in unstructured environments. We present quantitative results as well as discussions on key robotic system level challenges which manifest when we build and test the system. This system is the first step toward a UGV-UAV cooperative reconnaissance system in the future., Comment: Authors are with National Robotics Engineering Center, the Robotics Institute of Carnegie Mellon University, Pittsburgh PA, listed in alphabetical order. E-mail: wpu@nrec.ri.cmu.edu

One of the preeminent obstacles to scaling multi-agent reinforcement learning to large numbers of agents is assigning credit to individual agents' actions. In this paper, we address this credit assignment problem with an approach that we call \textit{partial reward decoupling} (PRD), which attempts to decompose large cooperative multi-agent RL problems into decoupled subproblems involving subsets of agents, thereby simplifying credit assignment. We empirically demonstrate that decomposing the RL problem using PRD in an actor-critic algorithm results in lower variance policy gradient estimates, which improves data efficiency, learning stability, and asymptotic performance across a wide array of multi-agent RL tasks, compared to various other actor-critic approaches. Additionally, we relate our approach to counterfactual multi-agent policy gradient (COMA), a state-of-the-art MARL algorithm, and empirically show that our approach outperforms COMA by making better use of information in agents' reward streams, and by enabling recent advances in advantage estimation to be used., Comment: in IEEE Robotics and Automation Letters

In many practical applications of RL, it is expensive to observe state transitions from the environment. For example, in the problem of plasma control for nuclear fusion, computing the next state for a given state-action pair requires querying an expensive transition function which can lead to many hours of computer simulation or dollars of scientific research. Such expensive data collection prohibits application of standard RL algorithms which usually require a large number of observations to learn. In this work, we address the problem of efficiently learning a policy while making a minimal number of state-action queries to the transition function. In particular, we leverage ideas from Bayesian optimal experimental design to guide the selection of state-action queries for efficient learning. We propose an acquisition function that quantifies how much information a state-action pair would provide about the optimal solution to a Markov decision process. At each iteration, our algorithm maximizes this acquisition function, to choose the most informative state-action pair to be queried, thus yielding a data-efficient RL approach. We experiment with a variety of simulated continuous control problems and show that our approach learns an optimal policy with up to $5$ -- $1,000\times$ less data than model-based RL baselines and $10^3$ -- $10^5\times$ less data than model-free RL baselines. We also provide several ablated comparisons which point to substantial improvements arising from the principled method of obtaining data., Comment: Conference paper at ICLR 2022

With increasing deployment of machine learning systems in various real-world tasks, there is a greater need for accurate quantification of predictive uncertainty. While the common goal in uncertainty quantification (UQ) in machine learning is to approximate the true distribution of the target data, many works in UQ tend to be disjoint in the evaluation metrics utilized, and disparate implementations for each metric lead to numerical results that are not directly comparable across different works. To address this, we introduce Uncertainty Toolbox, an open-source python library that helps to assess, visualize, and improve UQ. Uncertainty Toolbox additionally provides pedagogical resources, such as a glossary of key terms and an organized collection of key paper references. We hope that this toolbox is useful for accelerating and uniting research efforts in uncertainty in machine learning.

Accurate layout estimation is crucial for planning and navigation in robotics applications, such as self-driving. In this paper, we introduce the Stereo Bird's Eye ViewNetwork (SBEVNet), a novel supervised end-to-end framework for estimation of bird's eye view layout from a pair of stereo images. Although our network reuses some of the building blocks from the state-of-the-art deep learning networks for disparity estimation, we show that explicit depth estimation is neither sufficient nor necessary. Instead, the learning of a good internal bird's eye view feature representation is effective for layout estimation. Specifically, we first generate a disparity feature volume using the features of the stereo images and then project it to the bird's eye view coordinates. This gives us coarse-grained information about the scene structure. We also apply inverse perspective mapping (IPM) to map the input images and their features to the bird's eye view. This gives us fine-grained texture information. Concatenating IPM features with the projected feature volume creates a rich bird's eye view representation which is useful for spatial reasoning. We use this representation to estimate the BEV semantic map. Additionally, we show that using the IPM features as a supervisory signal for stereo features can give an improvement in performance. We demonstrate our approach on two datasets:the KITTI dataset and a synthetically generated dataset from the CARLA simulator. For both of these datasets, we establish state-of-the-art performance compared to baseline techniques., Comment: WACV 2022

The recent boom in computational chemistry has enabled several projects aimed at discovering useful materials or catalysts. We acknowledge and address two recurring issues in the field of computational catalyst discovery. First, calculating macro-scale catalyst properties is not straight-forward when using ensembles of atomic-scale calculations (e.g., density functional theory). We attempt to address this issue by creating a multiscale model that estimates bulk catalyst activity using adsorption energy predictions from both density functional theory and machine learning models. The second issue is that many catalyst discovery efforts seek to optimize catalyst properties, but optimization is an inherently exploitative objective that is in tension with the explorative nature of early-stage discovery projects. In other words: why invest so much time finding a "best" catalyst when it is likely to fail for some other, unforeseen problem? We address this issue by relaxing the catalyst discovery goal into a classification problem: "What is the set of catalysts that is worth testing experimentally?" Here we present a catalyst discovery method called myopic multiscale sampling, which combines multiscale modeling with automated selection of density functional theory calculations. It is an active classification strategy that seeks to classify catalysts as "worth investigating" or "not worth investigating" experimentally. Our results show a ~7-16 times speedup in catalyst classification relative to random sampling. These results were based on offline simulations of our algorithm on two different datasets: a larger, synthesized dataset and a smaller, real dataset., Comment: 13 pages, 6 figures, submitted to Journal of Chemical Physics

Traditional autonomous vehicle pipelines that follow a modular approach have been very successful in the past both in academia and industry, which has led to autonomy deployed on road. Though this approach provides ease of interpretation, its generalizability to unseen environments is limited and hand-engineering of numerous parameters is required, especially in the prediction and planning systems. Recently, deep reinforcement learning has been shown to learn complex strategic games and perform challenging robotic tasks, which provides an appealing framework for learning to drive. In this work, we propose a deep reinforcement learning framework to learn optimal control policy using waypoints and low-dimensional visual representations, also known as affordances. We demonstrate that our agents when trained from scratch learn the tasks of lane-following, driving around inter-sections as well as stopping in front of other actors or traffic lights even in the dense traffic setting. We note that our method achieves comparable or better performance than the baseline methods on the original and NoCrash benchmarks on the CARLA simulator.

Among the many ways of quantifying uncertainty in a regression setting, specifying the full quantile function is attractive, as quantiles are amenable to interpretation and evaluation. A model that predicts the true conditional quantiles for each input, at all quantile levels, presents a correct and efficient representation of the underlying uncertainty. To achieve this, many current quantile-based methods focus on optimizing the so-called pinball loss. However, this loss restricts the scope of applicable regression models, limits the ability to target many desirable properties (e.g. calibration, sharpness, centered intervals), and may produce poor conditional quantiles. In this work, we develop new quantile methods that address these shortcomings. In particular, we propose methods that can apply to any class of regression model, allow for selecting a trade-off between calibration and sharpness, optimize for calibration of centered intervals, and produce more accurate conditional quantiles. We provide a thorough experimental evaluation of our methods, which includes a high dimensional uncertainty quantification task in nuclear fusion., Comment: Appears in Proceedings of the 35th Conference on Neural Information Processing Systems (NeurIPS 2021)

The active search for objects of interest in an unknown environment has many robotics applications including search and rescue, detecting gas leaks or locating animal poachers. Existing algorithms often prioritize the location accuracy of objects of interest while other practical issues such as the reliability of object detection as a function of distance and lines of sight remain largely ignored. Additionally, in many active search scenarios, communication infrastructure may be unreliable or unestablished, making centralized control of multiple agents impractical. We present an algorithm called Noise-Aware Thompson Sampling (NATS) that addresses these issues for multiple ground-based robots performing active search considering two sources of sensory information from monocular optical imagery and depth maps. By utilizing Thompson Sampling, NATS allows for decentralized coordination among multiple agents. NATS also considers object detection uncertainty from depth as well as environmental occlusions and operates while remaining agnostic of the number of objects of interest. Using simulation results, we show that NATS significantly outperforms existing methods such as information-greedy policies or exhaustive search. We demonstrate the real-world viability of NATS using a pseudo-realistic environment created in the Unreal Engine 4 game development platform with the AirSim plugin., Comment: To appear at the 2021 IEEE International Conference on Robotics and Automation (ICRA), extended version

For autonomous vehicles, effective behavior planning is crucial to ensure safety of the ego car. In many urban scenarios, it is hard to create sufficiently general heuristic rules, especially for challenging scenarios that some new human drivers find difficult. In this work, we propose a behavior planning structure based on reinforcement learning (RL) which is capable of performing autonomous vehicle behavior planning with a hierarchical structure in simulated urban environments. Application of the hierarchical structure allows the various layers of the behavior planning system to be satisfied. Our algorithms can perform better than heuristic-rule-based methods for elective decisions such as when to turn left between vehicles approaching from the opposite direction or possible lane-change when approaching an intersection due to lane blockage or delay in front of the ego car. Such behavior is hard to evaluate as correct or incorrect, but for some aggressive expert human drivers handle such scenarios effectively and quickly. On the other hand, compared to traditional RL methods, our algorithm is more sample-efficient, due to the use of a hybrid reward mechanism and heuristic exploration during the training process. The results also show that the proposed method converges to an optimal policy faster than traditional RL methods., Comment: 7 pages, 11 figures

Visualization tools for supervised learning allow users to interpret, introspect, and gain an intuition for the successes and failures of their models. While reinforcement learning practitioners ask many of the same questions, existing tools are not applicable to the RL setting as these tools address challenges typically found in the supervised learning regime. In this work, we design and implement an interactive visualization tool for debugging and interpreting RL algorithms. Our system addresses many features missing from previous tools such as (1) tools for supervised learning often are not interactive; (2) while debugging RL policies researchers use state representations that are different from those seen by the agent; (3) a framework designed to make the debugging RL policies more conducive. We provide an example workflow of how this system could be used, along with ideas for future extensions., Comment: Builds on preliminary work presented at ICML 2020 (WHI) arXiv:2007.05577. An interactive demo of the system can be at https://tinyurl.com/y5gv5t4m

Visualization tools for supervised learning have allowed users to interpret, introspect, and gain intuition for the successes and failures of their models. While reinforcement learning practitioners ask many of the same questions, existing tools are not applicable to the RL setting. In this work, we describe our initial attempt at constructing a prototype of these ideas, through identifying possible features that such a system should encapsulate. Our design is motivated by envisioning the system to be a platform on which to experiment with interpretable reinforcement learning., Comment: Accepted to ICML 2020 Workshop on Human Interpretability in Machine Learning (Spotlight)

Active search refers to the problem of efficiently locating targets in an unknown environment by actively making data-collection decisions, and has many applications including detecting gas leaks, radiation sources or human survivors of disasters using aerial and/or ground robots (agents). Existing active search methods are in general only amenable to a single agent, or if they extend to multi agent they require a central control system to coordinate the actions of all agents. However, such control systems are often impractical in robotics applications. In this paper, we propose two distinct active search algorithms called SPATS (Sparse Parallel Asynchronous Thompson Sampling) and LATSI (LAplace Thompson Sampling with Information gain) that allow for multiple agents to independently make data-collection decisions without a central coordinator. Throughout we consider that targets are sparsely located around the environment in keeping with compressive sensing assumptions and its applicability in real world scenarios. Additionally, while most common search algorithms assume that agents can sense the entire environment (e.g. compressive sensing) or sense point-wise (e.g. Bayesian Optimization) at all times, we make a realistic assumption that each agent can only sense a contiguous region of space at a time. We provide simulation results as well as theoretical analysis to demonstrate the efficacy of our proposed algorithms., Comment: Preprint under review

We introduce Neural Dynamical Systems (NDS), a method of learning dynamical models in various gray-box settings which incorporates prior knowledge in the form of systems of ordinary differential equations. NDS uses neural networks to estimate free parameters of the system, predicts residual terms, and numerically integrates over time to predict future states. A key insight is that many real dynamical systems of interest are hard to model because the dynamics may vary across rollouts. We mitigate this problem by taking a trajectory of prior states as the input to NDS and train it to dynamically estimate system parameters using the preceding trajectory. We find that NDS learns dynamics with higher accuracy and fewer samples than a variety of deep learning methods that do not incorporate the prior knowledge and methods from the system identification literature which do. We demonstrate these advantages first on synthetic dynamical systems and then on real data captured from deuterium shots from a nuclear fusion reactor. Finally, we demonstrate that these benefits can be utilized for control in small-scale experiments.

Nuclear fusion is regarded as the energy of the future since it presents the possibility of unlimited clean energy. One obstacle in utilizing fusion as a feasible energy source is the stability of the reaction. Ideally, one would have a controller for the reactor that makes actions in response to the current state of the plasma in order to prolong the reaction as long as possible. In this work, we make preliminary steps to learning such a controller. Since learning on a real world reactor is infeasible, we tackle this problem by attempting to learn optimal controls offline via a simulator, where the state of the plasma can be explicitly set. In particular, we introduce a theoretically grounded Bayesian optimization algorithm that recommends a state and action pair to evaluate at every iteration and show that this results in more efficient use of the simulator., Comment: 6 pages, 2 figures, Machine Learning and Physical Sciences workshop

How autonomous vehicles and human drivers share public transportation systems is an important problem, as fully automatic transportation environments are still a long way off. Understanding human drivers' behavior can be beneficial for autonomous vehicle decision making and planning, especially when the autonomous vehicle is surrounded by human drivers who have various driving behaviors and patterns of interaction with other vehicles. In this paper, we propose an LSTM-based trajectory prediction method for human drivers which can help the autonomous vehicle make better decisions, especially in urban intersection scenarios. Meanwhile, in order to collect human drivers' driving behavior data in the urban scenario, we describe a system called UrbanFlow which includes the whole procedure from raw bird's-eye view data collection via drone to the final processed trajectories. The system is mainly intended for urban scenarios but can be extended to be used for any traffic scenarios., Comment: 7 pages, 12 figures, submitted to 2020 International Conference on Robotics and Automation (ICRA)

In this work, we propose a hierarchical reinforcement learning (HRL) structure which is capable of performing autonomous vehicle planning tasks in simulated environments with multiple sub-goals. In this hierarchical structure, the network is capable of 1) learning one task with multiple sub-goals simultaneously; 2) extracting attentions of states according to changing sub-goals during the learning process; 3) reusing the well-trained network of sub-goals for other similar tasks with the same sub-goals. The states are defined as processed observations which are transmitted from the perception system of the autonomous vehicle. A hybrid reward mechanism is designed for different hierarchical layers in the proposed HRL structure. Compared to traditional RL methods, our algorithm is more sample-efficient since its modular design allows reusing the policies of sub-goals across similar tasks. The results show that the proposed method converges to an optimal policy faster than traditional RL methods., Comment: 8 pages, 10 figures, Submitted to IEEE Robotics and Automation Letters

In applications such as molecule design or drug discovery, it is desirable to have an algorithm which recommends new candidate molecules based on the results of past tests. These molecules first need to be synthesized and then tested for objective properties. We describe ChemBO, a Bayesian optimization framework for generating and optimizing organic molecules for desired molecular properties. While most existing data-driven methods for this problem do not account for sample efficiency or fail to enforce realistic constraints on synthesizability, our approach explores the synthesis graph in a sample-efficient way and produces synthesizable candidates. We implement ChemBO as a Gaussian process model and explore existing molecular kernels for it. Moreover, we propose a novel optimal-transport based distance and kernel that accounts for graphical information explicitly. In our experiments, we demonstrate the efficacy of the proposed approach on several molecular optimization problems.

Self-driving vehicles (SDVs) hold great potential for improving traffic safety and are poised to positively affect the quality of life of millions of people. To unlock this potential one of the critical aspects of the autonomous technology is understanding and predicting future movement of vehicles surrounding the SDV. This work presents a deep-learning-based method for kinematically feasible motion prediction of such traffic actors. Previous work did not explicitly encode vehicle kinematics and instead relied on the models to learn the constraints directly from the data, potentially resulting in kinematically infeasible, suboptimal trajectory predictions. To address this issue we propose a method that seamlessly combines ideas from the AI with physically grounded vehicle motion models. In this way we employ best of the both worlds, coupling powerful learning models with strong feasibility guarantees for their outputs. The proposed approach is general, being applicable to any type of learning method. Extensive experiments using deep convnets on real-world data strongly indicate its benefits, outperforming the existing state-of-the-art., Comment: Accepted for publication at IEEE International Conference on Robotics and Automation (ICRA) 2020

Following detection and tracking of traffic actors, prediction of their future motion is the next critical component of a self-driving vehicle (SDV) technology, allowing the SDV to operate safely and efficiently in its environment. This is particularly important when it comes to vulnerable road users (VRUs), such as pedestrians and bicyclists. These actors need to be handled with special care due to an increased risk of injury, as well as the fact that their behavior is less predictable than that of motorized actors. To address this issue, in the current study we present a deep learning-based method for predicting VRU movement, where we rasterize high-definition maps and actor's surroundings into a bird's-eye view image used as an input to deep convolutional networks. In addition, we propose a fast architecture suitable for real-time inference, and perform an ablation study of various rasterization approaches to find the optimal choice for accurate prediction. The results strongly indicate benefits of using the proposed approach for motion prediction of VRUs, both in terms of accuracy and latency., Comment: Accepted for publication at IEEE Intelligent Vehicles Symposium (IV) 2020

Bayesian Optimisation (BO) refers to a suite of techniques for global optimisation of expensive black box functions, which use introspective Bayesian models of the function to efficiently search for the optimum. While BO has been applied successfully in many applications, modern optimisation tasks usher in new challenges where conventional methods fail spectacularly. In this work, we present Dragonfly, an open source Python library for scalable and robust BO. Dragonfly incorporates multiple recently developed methods that allow BO to be applied in challenging real world settings; these include better methods for handling higher dimensional domains, methods for handling multi-fidelity evaluations when cheap approximations of an expensive function are available, methods for optimising over structured combinatorial spaces, such as the space of neural network architectures, and methods for handling parallel evaluations. Additionally, we develop new methodological improvements in BO for selecting the Bayesian model, selecting the acquisition function, and optimising over complex domains with different variable types and additional constraints. We compare Dragonfly to a suite of other packages and algorithms for global optimisation and demonstrate that when the above methods are integrated, they enable significant improvements in the performance of BO. The Dragonfly library is available at dragonfly.github.io., Comment: Journal of Machine Learning Research 2020, Special Issue on Bayesian Optimization

Optimizing an expensive-to-query function is a common task in science and engineering, where it is beneficial to keep the number of queries to a minimum. A popular strategy is Bayesian optimization (BO), which leverages probabilistic models for this task. Most BO today uses Gaussian processes (GPs), or a few other surrogate models. However, there is a broad set of Bayesian modeling techniques that could be used to capture complex systems and reduce the number of queries in BO. Probabilistic programming languages (PPLs) are modern tools that allow for flexible model definition, prior specification, model composition, and automatic inference. In this paper, we develop ProBO, a BO procedure that uses only standard operations common to most PPLs. This allows a user to drop in a model built with an arbitrary PPL and use it directly in BO. We describe acquisition functions for ProBO, and strategies for efficiently optimizing these functions given complex models or costly inference procedures. Using existing PPLs, we implement new models to aid in a few challenging optimization settings, and demonstrate these on model hyperparameter and architecture search tasks.

We present a metric to quantify systematic labeling bias in galaxy morphology data sets stemming from the quality of the labeled data. This labeling bias is independent from labeling errors and requires knowledge about the intrinsic properties of the data with respect to the observed properties. We conduct a relative comparison of label bias for different low redshift galaxy morphology data sets. We show our metric is able to recover previous de-biasing procedures based on redshift as biasing parameter. By using the image resolution instead, we find biases that have not been addressed. We find that the morphologies based on supervised machine-learning trained over features such as colors, shape, and concentration show significantly less bias than morphologies based on expert or citizen-science classifiers. This result holds even when there is underlying bias present in the training sets used in the supervised machine learning process. We use catalog simulations to validate our bias metric, and show how to bin the multidimensional intrinsic and observed galaxy properties used in the bias quantification. Our approach is designed to work on any other labeled multidimensional data sets and the code is publicly available.