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Inverse folding models play an important role in structure-based design by predicting amino acid sequences that fold into desired reference structures. Models like ProteinMPNN, a message-passing encoder-decoder model, are trained to reliably produce new sequences from a reference structure. However, when applied to peptides, these models are prone to generating repetitive sequences that do not fold into the reference structure. To address this, we fine-tune ProteinMPNN to produce diverse and structurally consistent peptide sequences via Direct Preference Optimization (DPO). We derive two enhancements to DPO: online diversity regularization and domain-specific priors. Additionally, we develop a new understanding on improving diversity in decoder models. When conditioned on OpenFold generated structures, our fine-tuned models achieve state-of-the-art structural similarity scores, improving base ProteinMPNN by at least 8%. Compared to standard DPO, our regularized method achieves up to 20% higher sequence diversity with no loss in structural similarity score., Comment: Preprint. 10 pages plus appendices

In this paper, we establish the global convergence of the actor-critic algorithm with a significantly improved sample complexity of $O(\epsilon^{-3})$, advancing beyond the existing local convergence results. Previous works provide local convergence guarantees with a sample complexity of $O(\epsilon^{-2})$ for bounding the squared gradient of the return, which translates to a global sample complexity of $O(\epsilon^{-4})$ using the gradient domination lemma. In contrast to traditional methods that employ decreasing step sizes for both the actor and critic, we demonstrate that a constant step size for the critic is sufficient to ensure convergence in expectation. This key insight reveals that using a decreasing step size for the actor alone is sufficient to handle the noise for both the actor and critic. Our findings provide theoretical support for the practical success of many algorithms that rely on constant step sizes.

Electricity markets currently fail to incorporate preferences of buyers, treating polluting and renewable energy sources as having equal social benefit under a system of uniform clearing prices. Meanwhile, renewable energy is prone to curtailment due to transmission constraints, forcing grid operators to reduce or shut down renewable energy production despite its availability and need. This paper proposes a ``dual pricing mechanism" which allows buyers to bid both their willingness to pay for electricity, and additionally, their preference for green energy. Designed for use in deregulated electricity markets, this mechanism prioritizes the dispatch of more renewable energy sources according to consumer preferences. Traditional uniform clearing prices, which treat all energy sources equally, do not reflect the growing share of green energy in the power grid and the environmental values of consumers. By allowing load-serving entities to bid their willingness to pay for renewable energy directly into the clearing market, our proposed framework generates distinct pricing signals for green and ``black" electricity.

There is a well known intrinsic trade-off between the fairness of a representation and the performance of classifiers derived from the representation. Due to the complexity of optimisation algorithms in most modern representation learning approaches, for a given method it may be non-trivial to decide whether the obtained fairness-performance curve of the method is optimal, i.e., whether it is close to the true Pareto front for these quantities for the underlying data distribution. In this paper we propose a new method to compute the optimal Pareto front, which does not require the training of complex representation models. We show that optimal fair representations possess several useful structural properties, and that these properties enable a reduction of the computation of the Pareto Front to a compact discrete problem. We then also show that these compact approximating problems can be efficiently solved via off-the shelf concave-convex programming methods. Since our approach is independent of the specific model of representations, it may be used as the benchmark to which representation learning algorithms may be compared. We experimentally evaluate the approach on a number of real world benchmark datasets.

Recent advances in self-supervised learning enabled novel medical AI models, known as foundation models (FMs) that offer great potential for characterizing health from diverse biomedical data. Continuous glucose monitoring (CGM) provides rich, temporal data on glycemic patterns, but its full potential for predicting broader health outcomes remains underutilized. Here, we present GluFormer, a generative foundation model on biomedical temporal data based on a transformer architecture, and trained on over 10 million CGM measurements from 10,812 non-diabetic individuals. We tokenized the CGM training data and trained GluFormer using next token prediction in a generative, autoregressive manner. We demonstrate that GluFormer generalizes effectively to 15 different external datasets, including 4936 individuals across 5 different geographical regions, 6 different CGM devices, and several metabolic disorders, including normoglycemic, prediabetic, and diabetic populations, as well as those with gestational diabetes and obesity. GluFormer produces embeddings which outperform traditional CGM analysis tools, and achieves high Pearson correlations in predicting clinical parameters such as HbA1c, liver-related parameters, blood lipids, and sleep-related indices. Notably, GluFormer can also predict onset of future health outcomes even 4 years in advance. We also show that CGM embeddings from pre-intervention periods in Randomized Clinical Trials (RCTs) outperform other methods in predicting primary and secondary outcomes. When integrating dietary data into GluFormer, we show that the enhanced model can accurately generate CGM data based only on dietary intake data, simulate outcomes of dietary interventions, and predict individual responses to specific foods. Overall, we show that GluFormer accurately predicts health outcomes which generalize across different populations metabolic conditions.

Controlling humanoids in complex physically simulated worlds is a long-standing challenge with numerous applications in gaming, simulation, and visual content creation. In our setup, given a rich and complex 3D scene, the user provides a list of instructions composed of target locations and locomotion types. To solve this task we present PlaMo, a scene-aware path planner and a robust physics-based controller. The path planner produces a sequence of motion paths, considering the various limitations the scene imposes on the motion, such as location, height, and speed. Complementing the planner, our control policy generates rich and realistic physical motion adhering to the plan. We demonstrate how the combination of both modules enables traversing complex landscapes in diverse forms while responding to real-time changes in the environment. Video: https://youtu.be/wWlqSQlRZ9M .

In many real-world decision problems there is partially observed, hidden or latent information that remains fixed throughout an interaction. Such decision problems can be modeled as Latent Markov Decision Processes (LMDPs), where a latent variable is selected at the beginning of an interaction and is not disclosed to the agent. In the last decade, there has been significant progress in solving LMDPs under different structural assumptions. However, for general LMDPs, there is no known learning algorithm that provably matches the existing lower bound (Kwon et al., 2021). We introduce the first sample-efficient algorithm for LMDPs without any additional structural assumptions. Our result builds off a new perspective on the role of off-policy evaluation guarantees and coverage coefficients in LMDPs, a perspective, that has been overlooked in the context of exploration in partially observed environments. Specifically, we establish a novel off-policy evaluation lemma and introduce a new coverage coefficient for LMDPs. Then, we show how these can be used to derive near-optimal guarantees of an optimistic exploration algorithm. These results, we believe, can be valuable for a wide range of interactive learning problems beyond LMDPs, and especially, for partially observed environments., Comment: Fixed typos + alpha

In many sequential decision problems, an agent performs a repeated task. He then suffers regret and obtains information that he may use in the following rounds. However, sometimes the agent may also obtain information and avoid suffering regret by querying external sources. We study the trade-off between the information an agent accumulates and the regret it suffers. We invoke information-theoretic methods for obtaining regret lower bounds, that also allow us to easily re-derive several known lower bounds. We introduce the first Bayesian regret lower bounds that depend on the information an agent accumulates. We also prove regret upper bounds using the amount of information the agent accumulates. These bounds show that information measured in bits, can be traded off for regret, measured in reward. Finally, we demonstrate the utility of these bounds in improving the performance of a question-answering task with large language models, allowing us to obtain valuable insights.

The standard formulation of Markov decision processes (MDPs) assumes that the agent's decisions are executed immediately. However, in numerous realistic applications such as robotics or healthcare, actions are performed with a delay whose value can even be stochastic. In this work, we introduce stochastic delayed execution MDPs, a new formalism addressing random delays without resorting to state augmentation. We show that given observed delay values, it is sufficient to perform a policy search in the class of Markov policies in order to reach optimal performance, thus extending the deterministic fixed delay case. Armed with this insight, we devise DEZ, a model-based algorithm that optimizes over the class of Markov policies. DEZ leverages Monte-Carlo tree search similar to its non-delayed variant EfficientZero to accurately infer future states from the action queue. Thus, it handles delayed execution while preserving the sample efficiency of EfficientZero. Through a series of experiments on the Atari suite, we demonstrate that although the previous baseline outperforms the naive method in scenarios with constant delay, it underperforms in the face of stochastic delays. In contrast, our approach significantly outperforms the baselines, for both constant and stochastic delays. The code is available at http://github.com/davidva1/Delayed-EZ ., Comment: Published in ICLR 2024

We present the first finite time global convergence analysis of policy gradient in the context of infinite horizon average reward Markov decision processes (MDPs). Specifically, we focus on ergodic tabular MDPs with finite state and action spaces. Our analysis shows that the policy gradient iterates converge to the optimal policy at a sublinear rate of $O\left({\frac{1}{T}}\right),$ which translates to $O\left({\log(T)}\right)$ regret, where $T$ represents the number of iterations. Prior work on performance bounds for discounted reward MDPs cannot be extended to average reward MDPs because the bounds grow proportional to the fifth power of the effective horizon. Thus, our primary contribution is in proving that the policy gradient algorithm converges for average-reward MDPs and in obtaining finite-time performance guarantees. In contrast to the existing discounted reward performance bounds, our performance bounds have an explicit dependence on constants that capture the complexity of the underlying MDP. Motivated by this observation, we reexamine and improve the existing performance bounds for discounted reward MDPs. We also present simulations to empirically evaluate the performance of average reward policy gradient algorithm., Comment: 29 pages, 5 figures

DDPG is hindered by the overestimation bias problem, wherein its $Q$-estimates tend to overstate the actual $Q$-values. Traditional solutions to this bias involve ensemble-based methods, which require significant computational resources, or complex log-policy-based approaches, which are difficult to understand and implement. In contrast, we propose a straightforward solution using a $Q$-target and incorporating a behavioral cloning (BC) loss penalty. This solution, acting as an uncertainty measure, can be easily implemented with minimal code and without the need for an ensemble. Our empirical findings strongly support the superiority of Conservative DDPG over DDPG across various MuJoCo and Bullet tasks. We consistently observe better performance in all evaluated tasks and even competitive or superior performance compared to TD3 and TD7, all achieved with significantly reduced computational requirements., Comment: Paper do not ready

Reinforcement Learning from Human Feedback (RLHF) has achieved impressive empirical successes while relying on a small amount of human feedback. However, there is limited theoretical justification for this phenomenon. Additionally, most recent studies focus on value-based algorithms despite the recent empirical successes of policy-based algorithms. In this work, we consider an RLHF algorithm based on policy optimization (PO-RLHF). The algorithm is based on the popular Policy Cover-Policy Gradient (PC-PG) algorithm, which assumes knowledge of the reward function. In PO-RLHF, knowledge of the reward function is not assumed, and the algorithm uses trajectory-based comparison feedback to infer the reward function. We provide performance bounds for PO-RLHF with low query complexity, which provides insight into why a small amount of human feedback may be sufficient to achieve good performance with RLHF. A key novelty is a trajectory-level elliptical potential analysis, which bounds the reward estimation error when comparison feedback (rather than numerical reward observation) is given. We provide and analyze algorithms PG-RLHF and NN-PG-RLHF for two settings: linear and neural function approximation, respectively.

Motivated by the success of Transformers when applied to sequences of discrete symbols, token-based world models (TBWMs) were recently proposed as sample-efficient methods. In TBWMs, the world model consumes agent experience as a language-like sequence of tokens, where each observation constitutes a sub-sequence. However, during imagination, the sequential token-by-token generation of next observations results in a severe bottleneck, leading to long training times, poor GPU utilization, and limited representations. To resolve this bottleneck, we devise a novel Parallel Observation Prediction (POP) mechanism. POP augments a Retentive Network (RetNet) with a novel forward mode tailored to our reinforcement learning setting. We incorporate POP in a novel TBWM agent named REM (Retentive Environment Model), showcasing a 15.4x faster imagination compared to prior TBWMs. REM attains superhuman performance on 12 out of 26 games of the Atari 100K benchmark, while training in less than 12 hours. Our code is available at \url{https://github.com/leor-c/REM}.

Std $Q$-target is a conservative, actor-critic, ensemble, $Q$-learning-based algorithm, which is based on a single key $Q$-formula: $Q$-networks standard deviation, which is an "uncertainty penalty", and, serves as a minimalistic solution to the problem of overestimation bias. We implement SQT on top of TD3/TD7 code and test it against the state-of-the-art (SOTA) actor-critic algorithms, DDPG, TD3 and TD7 on seven popular MuJoCo and Bullet tasks. Our results demonstrate SQT's $Q$-target formula superiority over TD3's $Q$-target formula as a conservative solution to overestimation bias in RL, while SQT shows a clear performance advantage on a wide margin over DDPG, TD3, and TD7 on all tasks.

MinMaxMin $Q$-learning is a novel optimistic Actor-Critic algorithm that addresses the problem of overestimation bias ($Q$-estimations are overestimating the real $Q$-values) inherent in conservative RL algorithms. Its core formula relies on the disagreement among $Q$-networks in the form of the min-batch MaxMin $Q$-networks distance which is added to the $Q$-target and used as the priority experience replay sampling-rule. We implement MinMaxMin on top of TD3 and TD7, subjecting it to rigorous testing against state-of-the-art continuous-space algorithms-DDPG, TD3, and TD7-across popular MuJoCo and Bullet environments. The results show a consistent performance improvement of MinMaxMin over DDPG, TD3, and TD7 across all tested tasks., Comment: Paper do not ready

In many interactive decision-making settings, there is latent and unobserved information that remains fixed. Consider, for example, a dialogue system, where complete information about a user, such as the user's preferences, is not given. In such an environment, the latent information remains fixed throughout each episode, since the identity of the user does not change during an interaction. This type of environment can be modeled as a Latent Markov Decision Process (LMDP), a special instance of Partially Observed Markov Decision Processes (POMDPs). Previous work established exponential lower bounds in the number of latent contexts for the LMDP class. This puts forward a question: under which natural assumptions a near-optimal policy of an LMDP can be efficiently learned? In this work, we study the class of LMDPs with {\em prospective side information}, when an agent receives additional, weakly revealing, information on the latent context at the beginning of each episode. We show that, surprisingly, this problem is not captured by contemporary settings and algorithms designed for partially observed environments. We then establish that any sample efficient algorithm must suffer at least $\Omega(K^{2/3})$-regret, as opposed to standard $\Omega(\sqrt{K})$ lower bounds, and design an algorithm with a matching upper bound.

In non-linear filtering, it is traditional to compare non-linear architectures such as neural networks to the standard linear Kalman Filter (KF). We observe that this mixes the evaluation of two separate components: the non-linear architecture, and the parameters optimization method. In particular, the non-linear model is often optimized, whereas the reference KF model is not. We argue that both should be optimized similarly, and to that end present the Optimized KF (OKF). We demonstrate that the KF may become competitive to neural models - if optimized using OKF. This implies that experimental conclusions of certain previous studies were derived from a flawed process. The advantage of OKF over the standard KF is further studied theoretically and empirically, in a variety of problems. Conveniently, OKF can replace the KF in real-world systems by merely updating the parameters., Comment: NeurIPS 2023

In robust Markov decision processes (RMDPs), it is assumed that the reward and the transition dynamics lie in a given uncertainty set. By targeting maximal return under the most adversarial model from that set, RMDPs address performance sensitivity to misspecified environments. Yet, to preserve computational tractability, the uncertainty set is traditionally independently structured for each state. This so-called rectangularity condition is solely motivated by computational concerns. As a result, it lacks a practical incentive and may lead to overly conservative behavior. In this work, we study coupled reward RMDPs where the transition kernel is fixed, but the reward function lies within an $\alpha$-radius from a nominal one. We draw a direct connection between this type of non-rectangular reward-RMDPs and applying policy visitation frequency regularization. We introduce a policy-gradient method and prove its convergence. Numerical experiments illustrate the learned policy's robustness and its less conservative behavior when compared to rectangular uncertainty., Comment: accepted in AAAI2024

We propose a new approach to non-parametric density estimation that is based on regularizing a Sobolev norm of the density. This method is statistically consistent, and makes the inductive bias of the model clear and interpretable. While there is no closed analytic form for the associated kernel, we show that one can approximate it using sampling. The optimization problem needed to determine the density is non-convex, and standard gradient methods do not perform well. However, we show that with an appropriate initialization and using natural gradients, one can obtain well performing solutions. Finally, while the approach provides pre-densities (i.e. not necessarily integrating to 1), which prevents the use of log-likelihood for cross validation, we show that one can instead adapt Fisher divergence based score matching methods for this task. We evaluate the resulting method on the comprehensive recent anomaly detection benchmark suite, ADBench, and find that it ranks second best, among more than 15 algorithms.

Dosing models often use differential equations to model biological dynamics. Neural differential equations in particular can learn to predict the derivative of a process, which permits predictions at irregular points of time. However, this temporal flexibility often comes with a high sensitivity to noise, whereas medical problems often present high noise and limited data. Moreover, medical dosing models must generalize reliably over individual patients and changing treatment policies. To address these challenges, we introduce the Neural Eigen Stochastic Differential Equation algorithm (NESDE). NESDE provides individualized modeling (using a hypernetwork over patient-level parameters); generalization to new treatment policies (using decoupled control); tunable expressiveness according to the noise level (using piecewise linearity); and fast, continuous, closed-form prediction (using spectral representation). We demonstrate the robustness of NESDE in both synthetic and real medical problems, and use the learned dynamics to publish simulated medical gym environments., Comment: arXiv admin note: text overlap with arXiv:2202.00117

Robust Markov Decision Processes (RMDPs) provide a framework for sequential decision-making that is robust to perturbations on the transition kernel. However, current RMDP methods are often limited to small-scale problems, hindering their use in high-dimensional domains. To bridge this gap, we present EWoK, a novel online approach to solve RMDP that Estimates the Worst transition Kernel to learn robust policies. Unlike previous works that regularize the policy or value updates, EWoK achieves robustness by simulating the worst scenarios for the agent while retaining complete flexibility in the learning process. Notably, EWoK can be applied on top of any off-the-shelf {\em non-robust} RL algorithm, enabling easy scaling to high-dimensional domains. Our experiments, spanning from simple Cartpole to high-dimensional DeepMind Control Suite environments, demonstrate the effectiveness and applicability of the EWoK paradigm as a practical method for learning robust policies.

We present a representation-driven framework for reinforcement learning. By representing policies as estimates of their expected values, we leverage techniques from contextual bandits to guide exploration and exploitation. Particularly, embedding a policy network into a linear feature space allows us to reframe the exploration-exploitation problem as a representation-exploitation problem, where good policy representations enable optimal exploration. We demonstrate the effectiveness of this framework through its application to evolutionary and policy gradient-based approaches, leading to significantly improved performance compared to traditional methods. Our framework provides a new perspective on reinforcement learning, highlighting the importance of policy representation in determining optimal exploration-exploitation strategies., Comment: Accepted to ICML 2023

In this work, we present Conditional Adversarial Latent Models (CALM), an approach for generating diverse and directable behaviors for user-controlled interactive virtual characters. Using imitation learning, CALM learns a representation of movement that captures the complexity and diversity of human motion, and enables direct control over character movements. The approach jointly learns a control policy and a motion encoder that reconstructs key characteristics of a given motion without merely replicating it. The results show that CALM learns a semantic motion representation, enabling control over the generated motions and style-conditioning for higher-level task training. Once trained, the character can be controlled using intuitive interfaces, akin to those found in video games., Comment: Accepted to SIGGRAPH 2023

Robust Markov decision processes (MDPs) aim to handle changing or partially known system dynamics. To solve them, one typically resorts to robust optimization methods. However, this significantly increases computational complexity and limits scalability in both learning and planning. On the other hand, regularized MDPs show more stability in policy learning without impairing time complexity. Yet, they generally do not encompass uncertainty in the model dynamics. In this work, we aim to learn robust MDPs using regularization. We first show that regularized MDPs are a particular instance of robust MDPs with uncertain reward. We thus establish that policy iteration on reward-robust MDPs can have the same time complexity as on regularized MDPs. We further extend this relationship to MDPs with uncertain transitions: this leads to a regularization term with an additional dependence on the value function. We then generalize regularized MDPs to twice regularized MDPs ($\text{R}^2$ MDPs), i.e., MDPs with $\textit{both}$ value and policy regularization. The corresponding Bellman operators enable us to derive planning and learning schemes with convergence and generalization guarantees, thus reducing robustness to regularization. We numerically show this two-fold advantage on tabular and physical domains, highlighting the fact that $\text{R}^2$ preserves its efficacy in continuous environments., Comment: Extended version of NeuIPS paper: arXiv:2110.06267

We present an efficient robust value iteration for \texttt{s}-rectangular robust Markov Decision Processes (MDPs) with a time complexity comparable to standard (non-robust) MDPs which is significantly faster than any existing method. We do so by deriving the optimal robust Bellman operator in concrete forms using our $L_p$ water filling lemma. We unveil the exact form of the optimal policies, which turn out to be novel threshold policies with the probability of playing an action proportional to its advantage., Comment: arXiv admin note: substantial text overlap with arXiv:2205.14327

Policy gradient methods have become a standard for training reinforcement learning agents in a scalable and efficient manner. However, they do not account for transition uncertainty, whereas learning robust policies can be computationally expensive. In this paper, we introduce robust policy gradient (RPG), a policy-based method that efficiently solves rectangular robust Markov decision processes (MDPs). We provide a closed-form expression for the worst occupation measure. Incidentally, we find that the worst kernel is a rank-one perturbation of the nominal. Combining the worst occupation measure with a robust Q-value estimation yields an explicit form of the robust gradient. Our resulting RPG can be estimated from data with the same time complexity as its non-robust equivalent. Hence, it relieves the computational burden of convex optimization problems required for training robust policies by current policy gradient approaches., Comment: Accepted to NeurIPS 2023

Despite the popularity of policy gradient methods, they are known to suffer from large variance and high sample complexity. To mitigate this, we introduce SoftTreeMax -- a generalization of softmax that takes planning into account. In SoftTreeMax, we extend the traditional logits with the multi-step discounted cumulative reward, topped with the logits of future states. We consider two variants of SoftTreeMax, one for cumulative reward and one for exponentiated reward. For both, we analyze the gradient variance and reveal for the first time the role of a tree expansion policy in mitigating this variance. We prove that the resulting variance decays exponentially with the planning horizon as a function of the expansion policy. Specifically, we show that the closer the resulting state transitions are to uniform, the faster the decay. In a practical implementation, we utilize a parallelized GPU-based simulator for fast and efficient tree search. Our differentiable tree-based policy leverages all gradients at the tree leaves in each environment step instead of the traditional single-sample-based gradient. We then show in simulation how the variance of the gradient is reduced by three orders of magnitude, leading to better sample complexity compared to the standard policy gradient. On Atari, SoftTreeMax demonstrates up to 5x better performance in a faster run time compared to distributed PPO. Lastly, we demonstrate that high reward correlates with lower variance., Comment: arXiv admin note: text overlap with arXiv:2209.13966

A major challenge of reinforcement learning (RL) in real-world applications is the variation between environments, tasks or clients. Meta-RL (MRL) addresses this issue by learning a meta-policy that adapts to new tasks. Standard MRL methods optimize the average return over tasks, but often suffer from poor results in tasks of high risk or difficulty. This limits system reliability since test tasks are not known in advance. In this work, we define a robust MRL objective with a controlled robustness level. Optimization of analogous robust objectives in RL is known to lead to both *biased gradients* and *data inefficiency*. We prove that the gradient bias disappears in our proposed MRL framework. The data inefficiency is addressed via the novel Robust Meta RL algorithm (RoML). RoML is a meta-algorithm that generates a robust version of any given MRL algorithm, by identifying and over-sampling harder tasks throughout training. We demonstrate that RoML achieves robust returns on multiple navigation and continuous control benchmarks., Comment: NeurIPS 2023

Reinforcement learning (RL) has demonstrated great potential, but is currently full of overhyping and pipe dreams. We point to some difficulties with current research which we feel are endemic to the direction taken by the community. To us, the current direction is not likely to lead to "deployable" RL: RL that works in practice and can work in practical situations yet still is economically viable. We also propose a potential fix to some of the difficulties of the field.

Autonomous vehicle (AV) stacks are typically built in a modular fashion, with explicit components performing detection, tracking, prediction, planning, control, etc. While modularity improves reusability, interpretability, and generalizability, it also suffers from compounding errors, information bottlenecks, and integration challenges. To overcome these challenges, a prominent approach is to convert the AV stack into an end-to-end neural network and train it with data. While such approaches have achieved impressive results, they typically lack interpretability and reusability, and they eschew principled analytical components, such as planning and control, in favor of deep neural networks. To enable the joint optimization of AV stacks while retaining modularity, we present DiffStack, a differentiable and modular stack for prediction, planning, and control. Crucially, our model-based planning and control algorithms leverage recent advancements in differentiable optimization to produce gradients, enabling optimization of upstream components, such as prediction, via backpropagation through planning and control. Our results on the nuScenes dataset indicate that end-to-end training with DiffStack yields substantial improvements in open-loop and closed-loop planning metrics by, e.g., learning to make fewer prediction errors that would affect planning. Beyond these immediate benefits, DiffStack opens up new opportunities for fully data-driven yet modular and interpretable AV architectures. Project website: https://sites.google.com/view/diffstack, Comment: CoRL 2022 camera ready

We consider episodic reinforcement learning in reward-mixing Markov decision processes (RMMDPs): at the beginning of every episode nature randomly picks a latent reward model among $M$ candidates and an agent interacts with the MDP throughout the episode for $H$ time steps. Our goal is to learn a near-optimal policy that nearly maximizes the $H$ time-step cumulative rewards in such a model. Previous work established an upper bound for RMMDPs for $M=2$. In this work, we resolve several open questions remained for the RMMDP model. For an arbitrary $M\ge2$, we provide a sample-efficient algorithm--$\texttt{EM}^2$--that outputs an $\epsilon$-optimal policy using $\tilde{O} \left(\epsilon^{-2} \cdot S^d A^d \cdot \texttt{poly}(H, Z)^d \right)$ episodes, where $S, A$ are the number of states and actions respectively, $H$ is the time-horizon, $Z$ is the support size of reward distributions and $d=\min(2M-1,H)$. Our technique is a higher-order extension of the method-of-moments based approach, nevertheless, the design and analysis of the \algname algorithm requires several new ideas beyond existing techniques. We also provide a lower bound of $(SA)^{\Omega(\sqrt{M})} / \epsilon^{2}$ for a general instance of RMMDP, supporting that super-polynomial sample complexity in $M$ is necessary.

We consider a multi-armed bandit problem with $M$ latent contexts, where an agent interacts with the environment for an episode of $H$ time steps. Depending on the length of the episode, the learner may not be able to estimate accurately the latent context. The resulting partial observation of the environment makes the learning task significantly more challenging. Without any additional structural assumptions, existing techniques to tackle partially observed settings imply the decision maker can learn a near-optimal policy with $O(A)^H$ episodes, but do not promise more. In this work, we show that learning with {\em polynomial} samples in $A$ is possible. We achieve this by using techniques from experiment design. Then, through a method-of-moments approach, we design a procedure that provably learns a near-optimal policy with $O(\texttt{poly}(A) + \texttt{poly}(M,H)^{\min(M,H)})$ interactions. In practice, we show that we can formulate the moment-matching via maximum likelihood estimation. In our experiments, this significantly outperforms the worst-case guarantees, as well as existing practical methods., Comment: NeurIPS 2022

In Reinforcement Learning (RL), the goal of agents is to discover an optimal policy that maximizes the expected cumulative rewards. This objective may also be viewed as finding a policy that optimizes a linear function of its state-action occupancy measure, hereafter referred as Linear RL. However, many supervised and unsupervised RL problems are not covered in the Linear RL framework, such as apprenticeship learning, pure exploration and variational intrinsic control, where the objectives are non-linear functions of the occupancy measures. RL with non-linear utilities looks unwieldy, as methods like Bellman equation, value iteration, policy gradient, dynamic programming that had tremendous success in Linear RL, fail to trivially generalize. In this paper, we derive the policy gradient theorem for RL with general utilities. The policy gradient theorem proves to be a cornerstone in Linear RL due to its elegance and ease of implementability. Our policy gradient theorem for RL with general utilities shares the same elegance and ease of implementability. Based on the policy gradient theorem derived, we also present a simple sample-based algorithm. We believe our results will be of interest to the community and offer inspiration to future works in this generalized setting.

Policy-gradient methods are widely used for learning control policies. They can be easily distributed to multiple workers and reach state-of-the-art results in many domains. Unfortunately, they exhibit large variance and subsequently suffer from high-sample complexity since they aggregate gradients over entire trajectories. At the other extreme, planning methods, like tree search, optimize the policy using single-step transitions that consider future lookahead. These approaches have been mainly considered for value-based algorithms. Planning-based algorithms require a forward model and are computationally intensive at each step, but are more sample efficient. In this work, we introduce SoftTreeMax, the first approach that integrates tree-search into policy gradient. Traditionally, gradients are computed for single state-action pairs. Instead, our tree-based policy structure leverages all gradients at the tree leaves in each environment step. This allows us to reduce the variance of gradients by three orders of magnitude and to benefit from better sample complexity compared with standard policy gradient. On Atari, SoftTreeMax demonstrates up to 5x better performance in faster run-time compared with distributed PPO.

We consider an improper reinforcement learning setting where a learner is given $M$ base controllers for an unknown Markov decision process, and wishes to combine them optimally to produce a potentially new controller that can outperform each of the base ones. This can be useful in tuning across controllers, learnt possibly in mismatched or simulated environments, to obtain a good controller for a given target environment with relatively few trials. Towards this, we propose two algorithms: (1) a Policy Gradient-based approach; and (2) an algorithm that can switch between a simple Actor-Critic (AC) based scheme and a Natural Actor-Critic (NAC) scheme depending on the available information. Both algorithms operate over a class of improper mixtures of the given controllers. For the first case, we derive convergence rate guarantees assuming access to a gradient oracle. For the AC-based approach we provide convergence rate guarantees to a stationary point in the basic AC case and to a global optimum in the NAC case. Numerical results on (i) the standard control theoretic benchmark of stabilizing an cartpole; and (ii) a constrained queueing task show that our improper policy optimization algorithm can stabilize the system even when the base policies at its disposal are unstable., Comment: arXiv admin note: substantial text overlap with arXiv:2102.08201

As communication protocols evolve, datacenter network utilization increases. As a result, congestion is more frequent, causing higher latency and packet loss. Combined with the increasing complexity of workloads, manual design of congestion control (CC) algorithms becomes extremely difficult. This calls for the development of AI approaches to replace the human effort. Unfortunately, it is currently not possible to deploy AI models on network devices due to their limited computational capabilities. Here, we offer a solution to this problem by building a computationally-light solution based on a recent reinforcement learning CC algorithm [arXiv:2207.02295]. We reduce the inference time of RL-CC by x500 by distilling its complex neural network into decision trees. This transformation enables real-time inference within the $\mu$-sec decision-time requirement, with a negligible effect on quality. We deploy the transformed policy on NVIDIA NICs in a live cluster. Compared to popular CC algorithms used in production, RL-CC is the only method that performs well on all benchmarks tested over a large range of number of flows. It balances multiple metrics simultaneously: bandwidth, latency, and packet drops. These results suggest that data-driven methods for CC are feasible, challenging the prior belief that handcrafted heuristics are necessary to achieve optimal performance.

Replay buffers are a key component in many reinforcement learning schemes. Yet, their theoretical properties are not fully understood. In this paper we analyze a system where a stochastic process X is pushed into a replay buffer and then randomly sampled to generate a stochastic process Y from the replay buffer. We provide an analysis of the properties of the sampled process such as stationarity, Markovity and autocorrelation in terms of the properties of the original process. Our theoretical analysis sheds light on why replay buffer may be a good de-correlator. Our analysis provides theoretical tools for proving the convergence of replay buffer based algorithms which are prevalent in reinforcement learning schemes., Comment: arXiv admin note: text overlap with arXiv:2110.00445

We present the problem of reinforcement learning with exogenous termination. We define the Termination Markov Decision Process (TerMDP), an extension of the MDP framework, in which episodes may be interrupted by an external non-Markovian observer. This formulation accounts for numerous real-world situations, such as a human interrupting an autonomous driving agent for reasons of discomfort. We learn the parameters of the TerMDP and leverage the structure of the estimation problem to provide state-wise confidence bounds. We use these to construct a provably-efficient algorithm, which accounts for termination, and bound its regret. Motivated by our theoretical analysis, we design and implement a scalable approach, which combines optimism (w.r.t. termination) and a dynamic discount factor, incorporating the termination probability. We deploy our method on high-dimensional driving and MinAtar benchmarks. Additionally, we test our approach on human data in a driving setting. Our results demonstrate fast convergence and significant improvement over various baseline approaches., Comment: NeurIPS 2022

Robust Markov decision processes (MDPs) provide a general framework to model decision problems where the system dynamics are changing or only partially known. Efficient methods for some \texttt{sa}-rectangular robust MDPs exist, using its equivalence with reward regularized MDPs, generalizable to online settings. In comparison to \texttt{sa}-rectangular robust MDPs, \texttt{s}-rectangular robust MDPs are less restrictive but much more difficult to deal with. Interestingly, recent works have established the equivalence between \texttt{s}-rectangular robust MDPs and policy regularized MDPs. But we don't have a clear understanding to exploit this equivalence, to do policy improvement steps to get the optimal value function or policy. We don't have a clear understanding of greedy/optimal policy except it can be stochastic. There exist no methods that can naturally be generalized to model-free settings. We show a clear and explicit equivalence between \texttt{s}-rectangular $L_p$ robust MDPs and policy regularized MDPs that resemble very much policy entropy regularized MDPs widely used in practice. Further, we dig into the policy improvement step and concretely derive optimal robust Bellman operators for \texttt{s}-rectangular $L_p$ robust MDPs. We find that the greedy/optimal policies in \texttt{s}-rectangular $L_p$ robust MDPs are threshold policies that play top $k$ actions whose $Q$ value is greater than some threshold (value), proportional to the $(p-1)$th power of its advantage. In addition, we show time complexity of (\texttt{sa} and \texttt{s}-rectangular) $L_p$ robust MDPs is the same as non-robust MDPs up to some log factors. Our work greatly extends the existing understanding of \texttt{s}-rectangular robust MDPs and naturally generalizable to online settings.

In risk-averse reinforcement learning (RL), the goal is to optimize some risk measure of the returns. A risk measure often focuses on the worst returns out of the agent's experience. As a result, standard methods for risk-averse RL often ignore high-return strategies. We prove that under certain conditions this inevitably leads to a local-optimum barrier, and propose a soft risk mechanism to bypass it. We also devise a novel Cross Entropy module for risk sampling, which (1) preserves risk aversion despite the soft risk; (2) independently improves sample efficiency. By separating the risk aversion of the sampler and the optimizer, we can sample episodes with poor conditions, yet optimize with respect to successful strategies. We combine these two concepts in CeSoR - Cross-entropy Soft-Risk optimization algorithm - which can be applied on top of any risk-averse policy gradient (PG) method. We demonstrate improved risk aversion in maze navigation, autonomous driving, and resource allocation benchmarks, including in scenarios where standard risk-averse PG completely fails., Comment: Accepted to NeurIPS 2022

Quantum Computing (QC) stands to revolutionize computing, but is currently still limited. To develop and test quantum algorithms today, quantum circuits are often simulated on classical computers. Simulating a complex quantum circuit requires computing the contraction of a large network of tensors. The order (path) of contraction can have a drastic effect on the computing cost, but finding an efficient order is a challenging combinatorial optimization problem. We propose a Reinforcement Learning (RL) approach combined with Graph Neural Networks (GNN) to address the contraction ordering problem. The problem is extremely challenging due to the huge search space, the heavy-tailed reward distribution, and the challenging credit assignment. We show how a carefully implemented RL-agent that uses a GNN as the basic policy construct can address these challenges and obtain significant improvements over state-of-the-art techniques in three varieties of circuits, including the largest scale networks used in contemporary QC.

The Hidden Markov Model (HMM) is one of the most widely used statistical models for sequential data analysis. One of the key reasons for this versatility is the ability of HMM to deal with missing data. However, standard HMM learning algorithms rely crucially on the assumption that the positions of the missing observations \emph{within the observation sequence} are known. In the natural sciences, where this assumption is often violated, special variants of HMM, commonly known as Silent-state HMMs (SHMMs), are used. Despite their widespread use, these algorithms strongly rely on specific structural assumptions of the underlying chain, such as acyclicity, thus limiting the applicability of these methods. Moreover, even in the acyclic case, it has been shown that these methods can lead to poor reconstruction. In this paper we consider the general problem of learning an HMM from data with unknown missing observation locations. We provide reconstruction algorithms that do not require any assumptions about the structure of the underlying chain, and can also be used with limited prior knowledge, unlike SHMM. We evaluate and compare the algorithms in a variety of scenarios, measuring their reconstruction precision, and robustness under model miss-specification. Notably, we show that under proper specifications one can reconstruct the process dynamics as well as if the missing observations positions were known., Comment: 9 pages

Reasoning and interacting with dynamic environments is a fundamental problem in AI, but it becomes extremely challenging when actions can trigger cascades of cross-dependent events. We introduce a new supervised learning setup called {\em Cascade} where an agent is shown a video of a physically simulated dynamic scene, and is asked to intervene and trigger a cascade of events, such that the system reaches a "counterfactual" goal. For instance, the agent may be asked to "Make the blue ball hit the red one, by pushing the green ball". The agent intervention is drawn from a continuous space, and cascades of events makes the dynamics highly non-linear. We combine semantic tree search with an event-driven forward model and devise an algorithm that learns to search in semantic trees in continuous spaces. We demonstrate that our approach learns to effectively follow instructions to intervene in previously unseen complex scenes. It can also reason about alternative outcomes, when provided an observed cascade of events.

Neural differential equations predict the derivative of a stochastic process. This allows irregular forecasting with arbitrary time-steps. However, the expressive temporal flexibility often comes with a high sensitivity to noise. In addition, current methods model measurements and control together, limiting generalization to different control policies. These properties severely limit applicability to medical treatment problems, which require reliable forecasting given high noise, limited data and changing treatment policies. We introduce the Neural Eigen-SDE algorithm (NESDE), which relies on piecewise linear dynamics modeling with spectral representation. NESDE provides control over the expressiveness level; decoupling of control from measurements; and closed-form continuous prediction in inference. NESDE is demonstrated to provide robust forecasting in both synthetic and real high-noise medical problems. Finally, we use the learned dynamics models to publish simulated medical gym environments.

The space of value functions is a fundamental concept in reinforcement learning. Characterizing its geometric properties may provide insights for optimization and representation. Existing works mainly focus on the value space for Markov Decision Processes (MDPs). In this paper, we study the geometry of the robust value space for the more general Robust MDPs (RMDPs) setting, where transition uncertainties are considered. Specifically, since we find it hard to directly adapt prior approaches to RMDPs, we start with revisiting the non-robust case, and introduce a new perspective that enables us to characterize both the non-robust and robust value space in a similar fashion. The key of this perspective is to decompose the value space, in a state-wise manner, into unions of hypersurfaces. Through our analysis, we show that the robust value space is determined by a set of conic hypersurfaces, each of which contains the robust values of all policies that agree on one state. Furthermore, we find that taking only extreme points in the uncertainty set is sufficient to determine the robust value space. Finally, we discuss some other aspects about the robust value space, including its non-convexity and policy agreement on multiple states.

Motivated by online recommendation systems, we propose the problem of finding the optimal policy in multitask contextual bandits when a small fraction $\alpha < 1/2$ of tasks (users) are arbitrary and adversarial. The remaining fraction of good users share the same instance of contextual bandits with $S$ contexts and $A$ actions (items). Naturally, whether a user is good or adversarial is not known in advance. The goal is to robustly learn the policy that maximizes rewards for good users with as few user interactions as possible. Without adversarial users, established results in collaborative filtering show that $O(1/\epsilon^2)$ per-user interactions suffice to learn a good policy, precisely because information can be shared across users. This parallelization gain is fundamentally altered by the presence of adversarial users: unless there are super-polynomial number of users, we show a lower bound of $\tilde{\Omega}(\min(S,A) \cdot \alpha^2 / \epsilon^2)$ {\it per-user} interactions to learn an $\epsilon$-optimal policy for the good users. We then show we can achieve an $\tilde{O}(\min(S,A)\cdot \alpha/\epsilon^2)$ upper-bound, by employing efficient robust mean estimators for both uni-variate and high-dimensional random variables. We also show that this can be improved depending on the distributions of contexts.

Some of the most powerful reinforcement learning frameworks use planning for action selection. Interestingly, their planning horizon is either fixed or determined arbitrarily by the state visitation history. Here, we expand beyond the naive fixed horizon and propose a theoretically justified strategy for adaptive selection of the planning horizon as a function of the state-dependent value estimate. We propose two variants for lookahead selection and analyze the trade-off between iteration count and computational complexity per iteration. We then devise a corresponding deep Q-network algorithm with an adaptive tree search horizon. We separate the value estimation per depth to compensate for the off-policy discrepancy between depths. Lastly, we demonstrate the efficacy of our adaptive lookahead method in a maze environment and Atari.

We consider the problem of using expert data with unobserved confounders for imitation and reinforcement learning. We begin by defining the problem of learning from confounded expert data in a contextual MDP setup. We analyze the limitations of learning from such data with and without external reward, and propose an adjustment of standard imitation learning algorithms to fit this setup. We then discuss the problem of distribution shift between the expert data and the online environment when the data is only partially observable. We prove possibility and impossibility results for imitation learning under arbitrary distribution shift of the missing covariates. When additional external reward is provided, we propose a sampling procedure that addresses the unknown shift and prove convergence to an optimal solution. Finally, we validate our claims empirically on challenging assistive healthcare and recommender system simulation tasks.

Robust Markov decision processes (MDPs) aim to handle changing or partially known system dynamics. To solve them, one typically resorts to robust optimization methods. However, this significantly increases computational complexity and limits scalability in both learning and planning. On the other hand, regularized MDPs show more stability in policy learning without impairing time complexity. Yet, they generally do not encompass uncertainty in the model dynamics. In this work, we aim to learn robust MDPs using regularization. We first show that regularized MDPs are a particular instance of robust MDPs with uncertain reward. We thus establish that policy iteration on reward-robust MDPs can have the same time complexity as on regularized MDPs. We further extend this relationship to MDPs with uncertain transitions: this leads to a regularization term with an additional dependence on the value function. We finally generalize regularized MDPs to twice regularized MDPs (R${}^2$ MDPs), i.e., MDPs with $\textit{both}$ value and policy regularization. The corresponding Bellman operators enable developing policy iteration schemes with convergence and robustness guarantees. It also reduces planning and learning in robust MDPs to regularized MDPs., Comment: Accepted to NeurIPS 2021

We consider a stochastic multi-armed bandit setting where reward must be actively queried for it to be observed. We provide tight lower and upper problem-dependent guarantees on both the regret and the number of queries. Interestingly, we prove that there is a fundamental difference between problems with a unique and multiple optimal arms, unlike in the standard multi-armed bandit problem. We also present a new, simple, UCB-style sampling concept, and show that it naturally adapts to the number of optimal arms and achieves tight regret and querying bounds.