Gabriel Kalweit

Erick Rosete-Beas, Oier Mees, Gabriel Kalweit et al.

Everyday tasks of long-horizon and comprising a sequence of multiple implicit subtasks still impose a major challenge in offline robot control. While a number of prior methods aimed to address this setting with variants of imitation and offline reinforcement learning, the learned behavior is typically narrow and often struggles to reach configurable long-horizon goals. As both paradigms have complementary strengths and weaknesses, we propose a novel hierarchical approach that combines the strengths of both methods to learn task-agnostic long-horizon policies from high-dimensional camera observations. Concretely, we combine a low-level policy that learns latent skills via imitation learning and a high-level policy learned from offline reinforcement learning for skill-chaining the latent behavior priors. Experiments in various simulated and real robot control tasks show that our formulation enables producing previously unseen combinations of skills to reach temporally extended goals by "stitching" together latent skills through goal chaining with an order-of-magnitude improvement in performance upon state-of-the-art baselines. We even learn one multi-task visuomotor policy for 25 distinct manipulation tasks in the real world which outperforms both imitation learning and offline reinforcement learning techniques.

Jessica Borja-Diaz, Oier Mees, Gabriel Kalweit et al.

Robots operating in human-centered environments should have the ability to understand how objects function: what can be done with each object, where this interaction may occur, and how the object is used to achieve a goal. To this end, we propose a novel approach that extracts a self-supervised visual affordance model from human teleoperated play data and leverages it to enable efficient policy learning and motion planning. We combine model-based planning with model-free deep reinforcement learning (RL) to learn policies that favor the same object regions favored by people, while requiring minimal robot interactions with the environment. We evaluate our algorithm, Visual Affordance-guided Policy Optimization (VAPO), with both diverse simulation manipulation tasks and real world robot tidy-up experiments to demonstrate the effectiveness of our affordance-guided policies. We find that our policies train 4x faster than the baselines and generalize better to novel objects because our visual affordance model can anticipate their affordance regions.

Hao Zhu, Brice De La Crompe, Gabriel Kalweit et al.

In advancing the understanding of natural decision-making processes, inverse reinforcement learning (IRL) methods have proven instrumental in reconstructing animal's intentions underlying complex behaviors. Given the recent development of a continuous-time multi-intention IRL framework, there has been persistent inquiry into inferring discrete time-varying rewards with IRL. To address this challenge, we introduce the class of hierarchical inverse Q-learning (HIQL) algorithms. Through an unsupervised learning process, HIQL divides expert trajectories into multiple intention segments, and solves the IRL problem independently for each. Applying HIQL to simulated experiments and several real animal behavior datasets, our approach outperforms current benchmarks in behavior prediction and produces interpretable reward functions. Our results suggest that the intention transition dynamics underlying complex decision-making behavior is better modeled by a step function instead of a smoothly varying function. This advancement holds promise for neuroscience and cognitive science, contributing to a deeper understanding of decision-making and uncovering underlying brain mechanisms.

Mehdi Naouar, Gabriel Kalweit, Ignacio Mastroleo et al.

Cancer detection and classification from gigapixel whole slide images of stained tissue specimens has recently experienced enormous progress in computational histopathology. The limitation of available pixel-wise annotated scans shifted the focus from tumor localization to global slide-level classification on the basis of (weakly-supervised) multiple-instance learning despite the clinical importance of local cancer detection. However, the worse performance of these techniques in comparison to fully supervised methods has limited their usage until now for diagnostic interventions in domains of life-threatening diseases such as cancer. In this work, we put the focus back on tumor localization in form of a patch-level classification task and take up the setting of so-called coarse annotations, which provide greater training supervision while remaining feasible from a clinical standpoint. To this end, we present a novel ensemble method that not only significantly improves the detection accuracy of metastasis on the open CAMELYON16 data set of sentinel lymph nodes of breast cancer patients, but also considerably increases its robustness against noise while training on coarse annotations. Our experiments show that better results can be achieved with our technique making it clinically feasible to use for cancer diagnosis and opening a new avenue for translational and clinical research.

Yannick Vogt, Mehdi Naouar, Maria Kalweit et al.

Antibodies offer great potential for the treatment of various diseases. However, the discovery of therapeutic antibodies through traditional wet lab methods is expensive and time-consuming. The use of generative models in designing antibodies therefore holds great promise, as it can reduce the time and resources required. Recently, the class of diffusion models has gained considerable traction for their ability to synthesize diverse and high-quality samples. In their basic form, however, they lack mechanisms to optimize for specific properties, such as binding affinity to an antigen. In contrast, the class of offline Reinforcement Learning (RL) methods has demonstrated strong performance in navigating large search spaces, including scenarios where frequent real-world interaction, such as interaction with a wet lab, is impractical. Our novel method, BetterBodies, which combines Variational Autoencoders (VAEs) with RL guided latent diffusion, is able to generate novel sets of antibody CDRH3 sequences from different data distributions. Using the Absolut! simulator, we demonstrate the improved affinity of our novel sequences to the SARS-CoV spike receptor-binding domain. Furthermore, we reflect biophysical properties in the VAE latent space using a contrastive loss and add a novel Q-function based filtering to enhance the affinity of generated sequences. In conclusion, methods such as ours have the potential to have great implications for real-world biological sequence design, where the generation of novel high-affinity binders is a cost-intensive endeavor.

Yannick Vogt, Mehdi Naouar, Maria Kalweit et al.

The field of antibody-based therapeutics has grown significantly in recent years, with targeted antibodies emerging as a potentially effective approach to personalized therapies. Such therapies could be particularly beneficial for complex, highly individual diseases such as cancer. However, progress in this field is often constrained by the extensive search space of amino acid sequences that form the foundation of antibody design. In this study, we introduce a novel reinforcement learning method specifically tailored to address the unique challenges of this domain. We demonstrate that our method can learn the design of high-affinity antibodies against multiple targets in silico, utilizing either online interaction or offline datasets. To the best of our knowledge, our approach is the first of its kind and outperforms existing methods on all tested antigens in the Absolut! database.

Branka Mirchevska, Maria Hügle, Gabriel Kalweit et al.

Well-established optimization-based methods can guarantee an optimal trajectory for a short optimization horizon, typically no longer than a few seconds. As a result, choosing the optimal trajectory for this short horizon may still result in a sub-optimal long-term solution. At the same time, the resulting short-term trajectories allow for effective, comfortable and provable safe maneuvers in a dynamic traffic environment. In this work, we address the question of how to ensure an optimal long-term driving strategy, while keeping the benefits of classical trajectory planning. We introduce a Reinforcement Learning based approach that coupled with a trajectory planner, learns an optimal long-term decision-making strategy for driving on highways. By online generating locally optimal maneuvers as actions, we balance between the infinite low-level continuous action space, and the limited flexibility of a fixed number of predefined standard lane-change actions. We evaluated our method on realistic scenarios in the open-source traffic simulator SUMO and were able to achieve better performance than the 4 benchmark approaches we compared against, including a random action selecting agent, greedy agent, high-level, discrete actions agent and an IDM-based SUMO-controlled agent.

Gabriel Kalweit, Maria Huegle, Moritz Werling et al.

Popular Maximum Entropy Inverse Reinforcement Learning approaches require the computation of expected state visitation frequencies for the optimal policy under an estimate of the reward function. This usually requires intermediate value estimation in the inner loop of the algorithm, slowing down convergence considerably. In this work, we introduce a novel class of algorithms that only needs to solve the MDP underlying the demonstrated behavior once to recover the expert policy. This is possible through a formulation that exploits a probabilistic behavior assumption for the demonstrations within the structure of Q-learning. We propose Inverse Action-value Iteration which is able to fully recover an underlying reward of an external agent in closed-form analytically. We further provide an accompanying class of sampling-based variants which do not depend on a model of the environment. We show how to extend this class of algorithms to continuous state-spaces via function approximation and how to estimate a corresponding action-value function, leading to a policy as close as possible to the policy of the external agent, while optionally satisfying a list of predefined hard constraints. We evaluate the resulting algorithms called Inverse Action-value Iteration, Inverse Q-learning and Deep Inverse Q-learning on the Objectworld benchmark, showing a speedup of up to several orders of magnitude compared to (Deep) Max-Entropy algorithms. We further apply Deep Constrained Inverse Q-learning on the task of learning autonomous lane-changes in the open-source simulator SUMO achieving competent driving after training on data corresponding to 30 minutes of demonstrations.

Gabriel Kalweit, Maria Huegle, Moritz Werling et al.

In many real world applications, reinforcement learning agents have to optimize multiple objectives while following certain rules or satisfying a list of constraints. Classical methods based on reward shaping, i.e. a weighted combination of different objectives in the reward signal, or Lagrangian methods, including constraints in the loss function, have no guarantees that the agent satisfies the constraints at all points in time and can lead to undesired behavior. When a discrete policy is extracted from an action-value function, safe actions can be ensured by restricting the action space at maximization, but can lead to sub-optimal solutions among feasible alternatives. In this work, we propose Constrained Q-learning, a novel off-policy reinforcement learning framework restricting the action space directly in the Q-update to learn the optimal Q-function for the induced constrained MDP and the corresponding safe policy. In addition to single-step constraints referring only to the next action, we introduce a formulation for approximate multi-step constraints under the current target policy based on truncated value-functions. We analyze the advantages of Constrained Q-learning in the tabular case and compare Constrained DQN to reward shaping and Lagrangian methods in the application of high-level decision making in autonomous driving, considering constraints for safety, keeping right and comfort. We train our agent in the open-source simulator SUMO and on the real HighD data set.

Seyed Mahdi B. Azad, Zahra Padar, Gabriel Kalweit et al.

In this paper, we propose a novel method for learning reward functions directly from offline demonstrations. Unlike traditional inverse reinforcement learning (IRL), our approach decouples the reward function from the learner's policy, eliminating the adversarial interaction typically required between the two. This results in a more stable and efficient training process. Our reward function, called \textit{SR-Reward}, leverages successor representation (SR) to encode a state based on expected future states' visitation under the demonstration policy and transition dynamics. By utilizing the Bellman equation, SR-Reward can be learned concurrently with most reinforcement learning (RL) algorithms without altering the existing training pipeline. We also introduce a negative sampling strategy to mitigate overestimation errors by reducing rewards for out-of-distribution data, thereby enhancing robustness. This strategy inherently introduces a conservative bias into RL algorithms that employ the learned reward. We evaluate our method on the D4RL benchmark, achieving competitive results compared to offline RL algorithms with access to true rewards and imitation learning (IL) techniques like behavioral cloning. Moreover, our ablation studies on data size and quality reveal the advantages and limitations of SR-Reward as a proxy for true rewards.

Iman Nematollahi, Jose Francisco Villena-Ossa, Alina Moter et al.

Machine learning models of cellular interaction dynamics hold promise for understanding cell behavior. Natural killer (NK) cell cytotoxicity is a prominent example of such interaction dynamics and is commonly studied using time-resolved multi-channel fluorescence microscopy. Although tumor cell death events can be annotated at single frames, NK cytotoxic outcome emerges over time from cellular interactions and cannot be reliably inferred from frame-wise classification alone. We introduce BLINK, a trajectory-based recurrent state-space model that serves as a cell world model for NK-tumor interactions. BLINK learns latent interaction dynamics from partially observed NK-tumor interaction sequences and predicts apoptosis increments that accumulate into cytotoxic outcomes. Experiments on long-term time-lapse NK-tumor recordings show improved cytotoxic outcome detection and enable forecasting of future outcomes, together with an interpretable latent representation that organizes NK trajectories into coherent behavioral modes and temporally structured interaction phases. BLINK provides a unified framework for quantitative evaluation and structured modeling of NK cytotoxic behavior at the single-cell level.

Maria Kalweit, Gabriel Kalweit, Moritz Werling et al.

Challenging problems of deep reinforcement learning systems with regard to the application on real systems are their adaptivity to changing environments and their efficiency w.r.t. computational resources and data. In the application of learning lane-change behavior for autonomous driving, agents have to deal with a varying number of surrounding vehicles. Furthermore, the number of required transitions imposes a bottleneck, since test drivers cannot perform an arbitrary amount of lane changes in the real world. In the off-policy setting, additional information on solving the task can be gained by observing actions from others. While in the classical RL setup this knowledge remains unused, we use other drivers as surrogates to learn the agent's value function more efficiently. We propose Surrogate Q-learning that deals with the aforementioned problems and reduces the required driving time drastically. We further propose an efficient implementation based on a permutation-equivariant deep neural network architecture of the Q-function to estimate action-values for a variable number of vehicles in sensor range. We show that the architecture leads to a novel replay sampling technique we call Scene-centric Experience Replay and evaluate the performance of Surrogate Q-learning and Scene-centric Experience Replay in the open traffic simulator SUMO. Additionally, we show that our methods enhance real-world applicability of RL systems by learning policies on the real highD dataset.

Maria Hügle, Gabriel Kalweit, Thomas Huegle et al.

Clinical data from electronic medical records, registries or trials provide a large source of information to apply machine learning methods in order to foster precision medicine, e.g. by finding new disease phenotypes or performing individual disease prediction. However, to take full advantage of deep learning methods on clinical data, architectures are necessary that 1) are robust with respect to missing and wrong values, and 2) can deal with highly variable-sized lists and long-term dependencies of individual diagnosis, procedures, measurements and medication prescriptions. In this work, we elaborate limitations of fully-connected neural networks and classical machine learning methods in this context and propose AdaptiveNet, a novel recurrent neural network architecture, which can deal with multiple lists of different events, alleviating the aforementioned limitations. We employ the architecture to the problem of disease progression prediction in rheumatoid arthritis using the Swiss Clinical Quality Management registry, which contains over 10.000 patients and more than 65.000 patient visits. Our proposed approach leads to more compact representations and outperforms the classical baselines.

Oier Mees, Markus Merklinger, Gabriel Kalweit et al.

Key challenges for the deployment of reinforcement learning (RL) agents in the real world are the discovery, representation and reuse of skills in the absence of a reward function. To this end, we propose a novel approach to learn a task-agnostic skill embedding space from unlabeled multi-view videos. Our method learns a general skill embedding independently from the task context by using an adversarial loss. We combine a metric learning loss, which utilizes temporal video coherence to learn a state representation, with an entropy regularized adversarial skill-transfer loss. The metric learning loss learns a disentangled representation by attracting simultaneous viewpoints of the same observations and repelling visually similar frames from temporal neighbors. The adversarial skill-transfer loss enhances re-usability of learned skill embeddings over multiple task domains. We show that the learned embedding enables training of continuous control policies to solve novel tasks that require the interpolation of previously seen skills. Our extensive evaluation with both simulation and real world data demonstrates the effectiveness of our method in learning transferable skills from unlabeled interaction videos and composing them for new tasks. Code, pretrained models and dataset are available at http://robotskills.cs.uni-freiburg.de

Maria Huegle, Gabriel Kalweit, Moritz Werling et al.

The common pipeline in autonomous driving systems is highly modular and includes a perception component which extracts lists of surrounding objects and passes these lists to a high-level decision component. In this case, leveraging the benefits of deep reinforcement learning for high-level decision making requires special architectures to deal with multiple variable-length sequences of different object types, such as vehicles, lanes or traffic signs. At the same time, the architecture has to be able to cover interactions between traffic participants in order to find the optimal action to be taken. In this work, we propose the novel Deep Scenes architecture, that can learn complex interaction-aware scene representations based on extensions of either 1) Deep Sets or 2) Graph Convolutional Networks. We present the Graph-Q and DeepScene-Q off-policy reinforcement learning algorithms, both outperforming state-of-the-art methods in evaluations with the publicly available traffic simulator SUMO.

Gabriel Kalweit, Maria Huegle, Joschka Boedecker

In the past few years, off-policy reinforcement learning methods have shown promising results in their application for robot control. Deep Q-learning, however, still suffers from poor data-efficiency and is susceptible to stochasticity in the environment or reward functions which is limiting with regard to real-world applications. We alleviate these problems by proposing two novel off-policy Temporal-Difference formulations: (1) Truncated Q-functions which represent the return for the first n steps of a target-policy rollout w.r.t. the full action-value and (2) Shifted Q-functions, acting as the farsighted return after this truncated rollout. This decomposition allows us to optimize both parts with their individual learning rates, achieving significant learning speedup. We prove that the combination of these short- and long-term predictions is a representation of the full return, leading to the Composite Q-learning algorithm. We show the efficacy of Composite Q-learning in the tabular case and compare Deep Composite Q-learning with TD3 and TD3(Delta), which we introduce as an off-policy variant of TD(Delta). Moreover, we show that Composite TD3 outperforms TD3 as well as state-of-the-art compositional Q-learning approaches significantly in terms of data-efficiency in multiple simulated robot tasks and that Composite Q-learning is robust to stochastic environments and reward functions.

Maria Hügle, Gabriel Kalweit, Branka Mirchevska et al.

In many real-world decision making problems, reaching an optimal decision requires taking into account a variable number of objects around the agent. Autonomous driving is a domain in which this is especially relevant, since the number of cars surrounding the agent varies considerably over time and affects the optimal action to be taken. Classical methods that process object lists can deal with this requirement. However, to take advantage of recent high-performing methods based on deep reinforcement learning in modular pipelines, special architectures are necessary. For these, a number of options exist, but a thorough comparison of the different possibilities is missing. In this paper, we elaborate limitations of fully-connected neural networks and other established approaches like convolutional and recurrent neural networks in the context of reinforcement learning problems that have to deal with variable sized inputs. We employ the structure of Deep Sets in off-policy reinforcement learning for high-level decision making, highlight their capabilities to alleviate these limitations, and show that Deep Sets not only yield the best overall performance but also offer better generalization to unseen situations than the other approaches.