17 accepted papers
Inverse Reinforcement Learning (IRL) typically involves inferring a reward function from expert demonstrations to enable agents to imitate the demonstrated behavior. However, real-world settings often provide suboptimal and heterogeneous demonstrations, where human demonstrators use diverse strategi…
The *de novo* generation of high-affinity epitopes tailored to specific major histocompatibility complex (MHC) proteins is a pivotal challenge in computational immunotherapy. However, current methods struggle to effectively integrate the MHC context into the generation process, and often fail to gua…
Chirality is a fundamental molecular property that governs stereospecific behavior in chemistry and biology. Capturing chirality in machine learning models remains challenging due to the geometric complexity of stereochemical relationships and the limitations of traditional molecular representations…
Multi-modal Large Language Models (MLLMs) have demonstrated remarkable capabilities in semantic understanding and common sense reasoning, making them promising candidates for solving planning problems in autonomous driving. However, the next-token text prediction objectives traditionally used in pre…
Aligning molecular sequence representations (e.g., SMILES notations) with textual descriptions is critical for applications spanning drug discovery, materials design, and automated chemical literature analysis. Existing methodologies typically treat molecular captioning (molecule-to-text) and text-b
Inverse Reinforcement Learning (IRL) typically involves inferring a reward function from expert demonstrations to enable agents to imitate the demonstrated behavior. However, real-world settings often provide suboptimal and heterogeneous demonstrations, where human demonstrators use diverse strategi
Reinforcement learning (RL) has demonstrated compelling performance in robotic tasks, but its success often hinges on the design of complex, ad hoc reward functions. Researchers have explored how Large Language Models (LLMs) could enable non-expert users to specify reward functions more easily. Howe…
Diverse behavior policies are valuable in domains requiring quick test-time adaptation or personalized human-robot interaction. Human demonstrations provide rich information regarding task objectives and factors that govern individual behavior variations, which can be used to characterize \textit{us…
Optimizing large-scale logistics is computationally challenging due to its scale and requirement to be robust to stochastic and time-varying weather disturbances. However, prior research in multi-agent reinforcement learning (MARL) does not address scenarios that capture complexity of logistics oper
Chemical reaction prediction remains a fundamental challenge in organic chemistry, where existing machine learning models face two critical limitations: sensitivity to input permutations (molecule/atom orderings) and inadequate modeling of substructural interactions governing reactivity. These short…
The latest advancements in multi-modal large language models (MLLMs) have spurred a strong renewed interest in end-to-end motion planning approaches for autonomous driving. Many end-to-end approaches rely on human annotations to learn intermediate perception and prediction tasks, while purely self-s…
Athletics are a quintessential and universal expression of humanity. From French monks who in the <inline-formula xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><tex-math notation="LaTeX">$12{\text{th}}$</tex-math></inline-formula> century invented <italic
Offline Learning from Demonstrations (OLfD) is valuable in domains where trial-and-error learning is infeasible or specifying a cost function is difficult, such as robotic surgery, autonomous driving, and path-finding for NASA's Mars rovers. However, two key problems remain challenging in OLfD: 1) h…
The need for opponent modeling and tracking arises in several real-world scenarios, such as professional sports, video game design, and drug-trafficking interdiction. In this work, we present Graph based Adversarial Modeling with Mutual Information (GrAMMI) for modeling the behavior of an adversaria…
Learning from Demonstration (LfD) approaches empower end-users to teach robots novel tasks via demonstrations of the desired behaviors, democratizing access to robotics. However, current LfD frameworks are not capable of fast adaptation to heterogeneous human demonstrations nor the large-scale deplo…
Resource scheduling and coordination is an NP-hard optimization requiring an efficient allocation of agents to a set of tasks with upper- and lower bound temporal and resource constraints. Due to the large-scale and dynamic nature of resource coordination in hospitals and factories, human domain exp…
Learning from Demonstration (LfD) seeks to democratize robotics by enabling non-roboticist end-users to teach robots to perform a task by providing a human demonstration. However, modern LfD techniques, e.g. inverse reinforcement learning (IRL), assume users provide at least stochastically optimal d