physics.atom-ph

arXiv:2503.04780v1 Announce Type: new Abstract: Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal learning advances focus on cross-modal alignment, but existing molecule-text models ignore complementary information in different molecular views and rely on single-view representations, limiting molecular understanding. Moreover, na\"ive multi-view alignment strategies face two challenges: (1) separate aligned spaces with inconsistent mappings between molecule and text embeddings, and that (2) existing loss objectives fail to preserve complementary information for fine-grained alignment. This can limit the LLM's ability to fully understand the molecular properties. To address these issues, we propose MV-CLAM, a novel framework that aligns multi-view molecular representations into a unified textual space using a multi-query transformer (MQ-Former). Our approach ensures cross-view consistency while a token-level contrastive loss preserves diverse molecular features across textual queries. MV-CLAM enhances molecular reasoning, improving retrieval and captioning accuracy. The source code of MV-CLAM is available in https://github.com/sumin124/mv-clam.git.

arXiv:2404.19005v2 Announce Type: replace-cross Abstract: Realizing computationally complex quantum circuits in the presence of noise and imperfections is a challenging task. While fault-tolerant quantum computing provides a route to reducing noise, it requires a large overhead for generic algorithms. Here, we develop and analyze a hardware-efficient, fault-tolerant approach to realizing complex sampling circuits. We co-design the circuits with the appropriate quantum error correcting codes for efficient implementation in a reconfigurable neutral atom array architecture, constituting what we call a fault-tolerant compilation of the sampling algorithm. Specifically, we consider a family of $[[2^D , D, 2]]$ quantum error detecting codes whose transversal and permutation gate set can realize arbitrary degree-$D$ instantaneous quantum polynomial (IQP) circuits. Using native operations of the code and the atom array hardware, we compile a fault-tolerant and fast-scrambling family of such IQP circuits in a hypercube geometry, realized recently in the experiments by Bluvstein et al. [Nature 626, 7997 (2024)]. We develop a theory of second-moment properties of degree-$D$ IQP circuits for analyzing hardness and verification of random sampling by mapping to a statistical mechanics model. We provide evidence that sampling from hypercube IQP circuits is classically hard to simulate and analyze the linear cross-entropy benchmark (XEB) in comparison to the average fidelity. To realize a fully scalable approach, we first show that Bell sampling from degree-$4$ IQP circuits is classically intractable and can be efficiently validated. We further devise new families of $[[O(d^D),D,d]]$ color codes of increasing distance $d$, permitting exponential error suppression for transversal IQP sampling. Our results highlight fault-tolerant compiling as a powerful tool in co-designing algorithms with specific error-correcting codes and realistic hardware.