Related papers: Learning To Navigate The Synthetically Accessible …

Reinforcement learning (RL) has emerged as a potent paradigm for autonomous decision-making in complex environments. However, the integration of event-driven decision processes within RL remains a challenge. This paper presents a novel…

Large language models (LLMs) typically approach combinatorial optimization as an inference-time procedure, solving each instance separately through sampling, search, or repeated prompting. We ask whether reinforcement learning can instead…

In recent years, reinforcement learning (RL) has acquired a prominent position in health-related sequential decision-making problems, gaining traction as a valuable tool for delivering adaptive interventions (AIs). However, in part due to a…

This investigation introduces a novel deep reinforcement learning-based suite to control floating platforms in both simulated and real-world environments. Floating platforms serve as versatile test-beds to emulate micro-gravity environments…

Recent research on Software-Defined Networking (SDN) strongly promotes the adoption of distributed controller architectures. To achieve high network performance, designing a scheduling function (SF) to properly dispatch requests from each…

The discovery of Metal-Organic Frameworks (MOFs) with application-specific properties remains a central challenge in materials chemistry, owing to the immense size and complexity of their structural design space. Conventional computational…

Recent progress of deep generative models in the vision and language domain has stimulated significant interest in more structured data generation such as molecules. However, beyond generating new random molecules, efficient exploration and…

Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…

The ultimate goal of drug design is to find novel compounds with desirable pharmacological properties. Designing molecules retaining particular scaffolds as the core structures of the molecules is one of the efficient ways to obtain…

Transfer Learning (TL) has shown great potential to accelerate Reinforcement Learning (RL) by leveraging prior knowledge from past learned policies of relevant tasks. Existing transfer approaches either explicitly computes the similarity…

Here we propose using the successor representation (SR) to accelerate learning in a constructive knowledge system based on general value functions (GVFs). In real-world settings like robotics for unstructured and dynamic environments, it is…

Denoising-based generative models, particularly diffusion and flow matching algorithms, have achieved remarkable success. However, aligning their output distributions with complex downstream objectives, such as human preferences,…

Autonomous mapping of unknown environments is a critical challenge, particularly in scenarios where time is limited. Multi-agent systems can enhance efficiency through collaboration, but the scalability of motion-planning algorithms remains…

A central task in control theory, artificial intelligence, and formal methods is to synthesize reward-maximizing strategies for agents that operate in partially unknown environments. In environments modeled by gray-box Markov decision…

Despite the great success of High-Level Synthesis (HLS) tools, we observe several unresolved challenges: 1) the high-level abstraction of programming styles in HLS sometimes conceals optimization opportunities; 2) existing HLS tools do not…

Reinforcement learning (RL) -- algorithms that teach artificial agents to interact with environments by maximising reward signals -- has achieved significant success in recent years. These successes have been facilitated by advances in…

Generating structured, editable diagrams remains a significant challenge for contemporary large language models, despite their proficiency in general-purpose vector code generation. The primary difficulty lies in the structural fragility of…

Limited availability of representative time-to-failure (TTF) trajectories either limits the performance of deep learning (DL)-based approaches on remaining useful life (RUL) prediction in practice or even precludes their application.…

The efficient exploration of chemical space remains a central challenge, as many generative models still produce unstable or non-synthesizable compounds. To address these limitations, we present EvoMol-RL, a significant extension of the…

Despite substantial progress in machine learning for scientific discovery in recent years, truly de novo design of small molecules which exhibit a property of interest remains a significant challenge. We introduce LambdaZero, a generative…