Improving Inverse Folding for Peptide Design with Diversity-regularized Direct Preference Optimization

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.

MaskedMimic: Unified Physics-Based Character Control Through Masked Motion Inpainting

Crafting a single, versatile physics-based controller that can breathe life into interactive characters across a wide spectrum of scenarios represents an exciting frontier in character animation. An ideal controller should support diverse control modalities, such as sparse target keyframes, text instructions, and scene information. While previous works have proposed physically simulated, scene-aware control models, these systems have predominantly focused on developing controllers that each specializes in a narrow set of tasks and control modalities. This work presents MaskedMimic, a novel approach that formulates physics-based character control as a general motion inpainting problem. Our key insight is to train a single unified model to synthesize motions from partial (masked) motion descriptions, such as masked keyframes, objects, text descriptions, or any combination thereof. This is achieved by leveraging motion tracking data and designing a scalable training method that can effectively utilize diverse motion descriptions to produce coherent animations. Through this process, our approach learns a physics-based controller that provides an intuitive control interface without requiring tedious reward engineering for all behaviors of interest. The resulting controller supports a wide range of control modalities and enables seamless transitions between disparate tasks. By unifying character control through motion inpainting, MaskedMimic creates versatile virtual characters. These characters can dynamically adapt to complex scenes and compose diverse motions on demand, enabling more interactive and immersive experiences.

Learning to Move Like Professional Counter-Strike Players

In multiplayer, first-person shooter games like Counter-Strike: Global Offensive (CS:GO), coordinated movement is a critical component of high-level strategic play. However, the complexity of team coordination and the variety of conditions present in popular game maps make it impractical to author hand-crafted movement policies for every scenario. We show that it is possible to take a data-driven approach to creating human-like movement controllers for CS:GO. We curate a team movement dataset comprising 123 hours of professional game play traces, and use this dataset to train a transformer-based movement model that generates human-like team movement for all players in a "Retakes" round of the game. Importantly, the movement prediction model is efficient. Performing inference for all players takes less than 0.5 ms per game step (amortized cost) on a single CPU core, making it plausible for use in commercial games today. Human evaluators assess that our model behaves more like humans than both commercially-available bots and procedural movement controllers scripted by experts (16% to 59% higher by TrueSkill rating of "human-like"). Using experiments involving in-game bot vs. bot self-play, we demonstrate that our model performs simple forms of teamwork, makes fewer common movement mistakes, and yields movement distributions, player lifetimes, and kill locations similar to those observed in professional CS:GO match play.

Gradient Boosting Reinforcement Learning

Neural networks (NN) achieve remarkable results in various tasks, but lack key characteristics: interpretability, support for categorical features, and lightweight implementations suitable for edge devices. While ongoing efforts aim to address these challenges, Gradient Boosting Trees (GBT) inherently meet these requirements. As a result, GBTs have become the go-to method for supervised learning tasks in many real-world applications and competitions. However, their application in online learning scenarios, notably in reinforcement learning (RL), has been limited. In this work, we bridge this gap by introducing Gradient-Boosting RL (GBRL), a framework that extends the advantages of GBT to the RL domain. Using the GBRL framework, we implement various actor-critic algorithms and compare their performance with their NN counterparts. Inspired by shared backbones in NN we introduce a tree-sharing approach for policy and value functions with distinct learning rates, enhancing learning efficiency over millions of interactions. GBRL achieves competitive performance across a diverse array of tasks, excelling in domains with structured or categorical features. Additionally, we present a high-performance, GPU-accelerated implementation that integrates seamlessly with widely-used RL libraries (available at https://github.com/NVlabs/gbrl). GBRL expands the toolkit for RL practitioners, demonstrating the viability and promise of GBT within the RL paradigm, particularly in domains characterized by structured or categorical features.

SMPLOlympics: Sports Environments for Physically Simulated Humanoids

We present SMPLOlympics, a collection of physically simulated environments that allow humanoids to compete in a variety of Olympic sports. Sports simulation offers a rich and standardized testing ground for evaluating and improving the capabilities of learning algorithms due to the diversity and physically demanding nature of athletic activities. As humans have been competing in these sports for many years, there is also a plethora of existing knowledge on the preferred strategy to achieve better performance. To leverage these existing human demonstrations from videos and motion capture, we design our humanoid to be compatible with the widely-used SMPL and SMPL-X human models from the vision and graphics community. We provide a suite of individual sports environments, including golf, javelin throw, high jump, long jump, and hurdling, as well as competitive sports, including both 1v1 and 2v2 games such as table tennis, tennis, fencing, boxing, soccer, and basketball. Our analysis shows that combining strong motion priors with simple rewards can result in human-like behavior in various sports. By providing a unified sports benchmark and baseline implementation of state and reward designs, we hope that SMPLOlympics can help the control and animation communities achieve human-like and performant behaviors.

PlaMo: Plan and Move in Rich 3D Physical Environments

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 .

CALM: Conditional Adversarial Latent Models for Directable Virtual Characters

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.

Implementing Reinforcement Learning Datacenter Congestion Control in NVIDIA NICs

Cloud datacenters are exponentially growing both in numbers and size. This increase results in a network activity surge that warrants better congestion avoidance. The resulting challenge is two-fold: (i) designing algorithms that can be custom-tuned to the complex traffic patterns of a given datacenter; but, at the same time (ii) run on low-level hardware with the required low latency of effective Congestion Control (CC). In this work, we present a Reinforcement Learning (RL) based CC solution that learns from certain traffic scenarios and successfully generalizes to others. We then distill the RL neural network policy into binary decision trees to achieve the desired $\mu$sec decision latency required for real-time inference with RDMA. We deploy the distilled policy on NVIDIA NICs in a real network and demonstrate state-of-the-art performance, balancing all tested metrics simultaneously: bandwidth, latency, fairness, and packet drops.

Towards Autonomous Grading In The Real World

In this work, we aim to tackle the problem of autonomous grading, where a dozer is required to flatten an uneven area. In addition, we explore methods for bridging the gap between a simulated environment and real scenarios. We design both a realistic physical simulation and a scaled real prototype environment mimicking the real dozer dynamics and sensory information. We establish heuristics and learning strategies in order to solve the problem. Through extensive experimentation, we show that although heuristics are capable of tackling the problem in a clean and noise-free simulated environment, they fail catastrophically when facing real world scenarios. As the heuristics are capable of successfully solving the task in the simulated environment, we show they can be leveraged to guide a learning agent which can generalize and solve the task both in simulation and in a scaled prototype environment.

Ensemble Bootstrapping for Q-Learning

Q-learning (QL), a common reinforcement learning algorithm, suffers from over-estimation bias due to the maximization term in the optimal Bellman operator. This bias may lead to sub-optimal behavior. Double-Q-learning tackles this issue by utilizing two estimators, yet results in an under-estimation bias. Similar to over-estimation in Q-learning, in certain scenarios, the under-estimation bias may degrade performance. In this work, we introduce a new bias-reduced algorithm called Ensemble Bootstrapped Q-Learning (EBQL), a natural extension of Double-Q-learning to ensembles. We analyze our method both theoretically and empirically. Theoretically, we prove that EBQL-like updates yield lower MSE when estimating the maximal mean of a set of independent random variables. Empirically, we show that there exist domains where both over and under-estimation result in sub-optimal performance. Finally, We demonstrate the superior performance of a deep RL variant of EBQL over other deep QL algorithms for a suite of ATARI games.