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Distributed quantum computation is often proposed to increase the scalability of quantum hardware, as it reduces cooperative noise and requisite connectivity by sharing quantum information between distant quantum devices. However, such exchange of quantum information itself poses unique engineering challenges, requiring high gate fidelity and costly non-local operations. To mitigate this, we propose near-term distributed quantum computing, focusing on approximate approaches that involve limited information transfer and conservative entanglement production. We first devise an approximate distributed computing scheme for the time evolution of quantum systems split across any combination of classical and quantum devices. Our procedure harnesses mean-field corrections and auxiliary qubits to link two or more devices classically, optimally encoding the auxiliary qubits to both minimize short-time evolution error and extend the approximate scheme's performance to longer evolution times. We then expand the scheme to include limited quantum information transfer through selective qubit shuffling or teleportation, broadening our method's applicability and boosting its performance. Finally, we build upon these concepts to produce an approximate circuit-cutting technique for the fragmented pre-training of variational quantum algorithms. To characterize our technique, we introduce a non-linear perturbation theory that discerns the critical role of our mean-field corrections in optimization and may be suitable for analyzing other non-linear quantum techniques. This fragmented pre-training is remarkably successful, reducing algorithmic error by orders of magnitude while requiring fewer iterations.

 

Learning a dynamical system requires stabilizing the unknown dynamics to avoid state blow-ups. However, the standard reinforcement learning (RL) methods lack formal stabilization guarantees, which limits their applicability for the control of real-world dynamical systems. We propose a novel policy optimization method that adopts Krasovskii's family of Lyapunov functions as a stability constraint. We show that solving this stability-constrained optimization problem using a primal-dual approach recovers a stabilizing policy for the underlying system even under modeling error. Combining this method with model learning, we propose a model-based RL framework with formal stability guarantees, Krasovskii-Constrained Reinforcement Learning (KCRL). We theoretically study KCRL with kernel-based feature representation in model learning and provide a sample complexity guarantee to learn a stabilizing controller for the underlying system. Further, we empirically demonstrate the effectiveness of KCRL in learning stabilizing policies in online voltage control of a distributed power system. We show that KCRL stabilizes the system under various real-world solar and electricity demand profiles, whereas standard RL methods often fail to stabilize. 

Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset, often unavailable in real-world generation tasks. In this work, we propose a new retrieval-based framework for controllable molecule generation. We use a small set of exemplar molecules, i.e., those that (partially) satisfy the design criteria, to steer the pre-trained generative model towards synthesizing molecules that satisfy the given design criteria. We design a retrieval mechanism that retrieves and fuses the exemplar molecules with the input molecule, which is trained by a new self-supervised objective that predicts the nearest neighbor of the input molecule. We also propose an iterative refinement process to dynamically update the generated molecules and retrieval database for better generalization. Our approach is agnostic to the choice of generative models and requires no task-specific fine-tuning. On various tasks ranging from simple design criteria to a challenging real-world scenario for designing lead compounds that bind to the SARS-CoV-2 main protease, we demonstrate our approach extrapolates well beyond the retrieval database, and achieves better performance and wider applicability than previous methods. 

Manipulating volumetric deformable objects in the real world, like plush toys and pizza dough, brings substantial challenges due to infinite shape variations, non-rigid motions, and partial observability. We introduce ACID, an action-conditional visual dynamics model for volumetric deformable objects based on structured implicit neural representations. ACID integrates two new techniques: implicit representations for action-conditional dynamics and geodesics-based contrastive learning. To represent deformable dynamics from partial RGB-D observations, we learn implicit representations of occupancy and flow-based forward dynamics. To accurately identify state change under large non-rigid deformations, we learn a correspondence embedding field through a novel geodesics-based contrastive loss. To evaluate our approach, we develop a simulation framework for manipulating complex deformable shapes in realistic scenes and a benchmark containing over 17,000 action trajectories with six types of plush toys and 78 variants. Our model achieves the best performance in geometry, correspondence, and dynamics predictions over existing approaches. The ACID dynamics models are successfully employed for goal-conditioned deformable manipulation tasks, resulting in a 30% increase in task success rate over the strongest baseline. Furthermore, we apply the simulation-trained ACID model directly to real-world objects and show success in manipulating them into target configurations. https://b0ku1.github.io/acid/