SearcharxivSearch

arXiv subjects

Weiyu Xie

Publications and source records attributed to Weiyu Xie.

8 recordsLinked to original sources

EGG: An Expert-Guided Agent Framework for Kernel Generation

High-performance GPU kernels are critical for reducing the exponentially growing computational costs of large language models (LLMs), but their development heavily relies on manual tuning by domain experts. While recent advances in LLM-based approaches show promise for automating kernel generation, they still struggle to achieve both correctness and high performance. This limitation primarily arises from the lack of domain-specific optimization guidance, hindering effective exploration of the optimization space. We propose EGG, an Expert-Guided Agent Framework for Kernel Generation, which incorporates expert optimization principles to guide LLMs' decisions. Inspired by expert workflows, we decompose kernel generation into two hierarchical stages: 1) algorithmic structure design, which establishes a high-quality computational structure foundation; 2) hardware-specific tuning, which performs targeted adjustments through parallel mapping, tensor tiling, and memory optimization. This staged decomposition defines explicit optimization objectives, structuring the design space to achieve progressive refinement. To this end, a stage-aware multi-agent collaboration mechanism is designed for inter and intra-stage context management, ensuring stable optimization trajectories. Experiments on KernelBench and real-world workloads show that EGG achieves a 2.13x average speedup over PyTorch, outperforming existing agent-based and RL-based approaches.

cs.AI

From Prefix Cache to Fusion RAG Cache: Accelerating LLM Inference in Retrieval-Augmented Generation

Retrieval-Augmented Generation enhances Large Language Models by integrating external knowledge, which reduces hallucinations but increases prompt length. This increase leads to higher computational costs and longer Time to First Token (TTFT). To mitigate this issue, existing solutions aim to reuse the preprocessed KV cache of each retrieved chunk to accelerate RAG. However, the lack of cross-chunk contextual information leads to a significant drop in generation quality, leaving the potential benefits of KV cache reuse largely unfulfilled. The challenge lies in how to reuse the precomputed KV cache of chunks while preserving generation quality. We propose FusionRAG, a novel inference framework that optimizes both the preprocessing and reprocessing stages of RAG. In the offline preprocessing stage, we embed information from other related text chunks into each chunk, while in the online reprocessing stage, we recompute the KV cache for tokens that the model focuses on. As a result, we achieve a better trade-off between generation quality and efficiency. According to our experiments, FusionRAG significantly improves generation quality at the same recomputation ratio compared to previous state-of-the-art solutions. By recomputing fewer than 15% of the tokens, FusionRAG achieves up to 70% higher normalized F1 scores than baselines and reduces TTFT by 2.66x-9.39x compared to Full Attention.

cs.CL

5f Electron Induced Spin Transport by Sandwich-Type Phthalocyanine

In this study, we employed the non-equilibrium Green's function method combined with density functional theory to investigate the spin transport properties of the actinide sandwich phthalocyanine molecule U(Pc)2.This study aims to provide beneficial assistance for the development of actinide phthalocyanine molecular spintronic devices.

physics.comp-ph

Emerging disciplines based on superatoms: a perspective point of view

In this work, our statements are based on the progress of current research on superatomic clusters. Combining the new trend of materials and device manufacture at the atomic level, we analyzed the opportunities for the development based on the use of superatomic clusters as units of functional materials, and presented a foresight of this new branch of science with relevant studies on superatoms.

physics.atm-clus

Quantum oscillation in carrier transport in two-dimensional junctions

Two-dimensional (2D) device structures have recently attracted considerable attention. Here, we show that most 2D device structures, regardless vertical or lateral, act as a lateral monolayer-bilayer-monolayer junction in their operation. In particular, a vertical structure cannot function as a vertical junction as having been widely believed in the literature. Moreover, due to a larger electrostatic screening, the bilayer region in the junction always has a smaller band gap than its monolayer counterpart. As a result, a potential well, aside from the usual potential barrier, will form universally in the bilayer region to affect the hole or electron quantum transport in the form of transmission or reflection. Taking black phosphorus as an example, we show that an oscillation in the transmission coefficient can be clearly resolved in a two-electrode prototypical device by non-equilibrium Green function combined with density functional theory calculations and the results can be qualitatively understood using a simple quantum well model. The presence of the quantum well is vital to 2D device design, including the effective tuning of quantum transmission by a vertical electric field.

cond-mat.mes-hall

Band alignment of two-dimensional lateral heterostructures

Recent experimental synthesis of two-dimensional (2D) heterostructures opens a door to new opportunities in tailoring the electronic properties for novel 2D devices. Here, we show that a wide range of lateral 2D heterostructures could have a prominent advantage over the traditional three-dimensional (3D) heterostructures, because their band alignments are insensitive to the interfacial conditions. They should be at the Schottky-Mott limits for semiconductor-metal junctions and at the Anderson limits for semiconductor junctions, respectively. This fundamental difference from the 3D heterostructures is rooted in the fact that, in the asymptotic limit of large distance, the effect of the interfacial dipole vanishes for 2D systems. Due to the slow decay of the dipole field and the dependence on the vacuum thickness, however, studies based on first-principles calculations often failed to reach such a conclusion. Taking graphene/hexagonal-BN and MoS2/WS2 lateral heterostructures as the respective prototypes, we show that the converged junction width can be order of magnitude longer than that for 3D junctions. The present results provide vital guidance to high-quality transport devices wherever a lateral 2D heterostructure is involved.

physics.comp-ph

Enhanced van der Waals epitaxy via electron transfer-enabled interfacial dative bond formation

Enhanced van der Waals (vdW) epitaxy of semiconductors on layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layered material, first-principles calculations reveal that the bond strength at CdTe-NbSe2 interface is five times as large as that of vdW interaction at CdTe-graphene interface. The unconventional chemistry here is enabled by an effective net electron transfer from Cd dangling-bond states at CdTe surface to metallic non-bonding NbSe2 states, which is a necessary condition to activate the Cd for enhanced binding with Se.

physics.comp-ph

Universal stability of two-dimensional traditional semiconductors

Interest in two dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac Fermion in graphene, but also as a new paradigm in which stacking layers of distinct two dimensional materials may enable different functionality or devices. Here, through first-principles theory, we reveal a large new class of two dimensional materials which are derived from traditional III-V, II-VI, and I-VII semiconductors. It is found that in the ultra-thin limit all of the traditional binary semi-conductors studied (a series of 26 semiconductors) stabilize in a two dimensional double layer honeycomb (DLHC) structure, as opposed to the wurtzite or zinc-blende structures associated with three dimensional bulk. Not only does this greatly increase the landscape of two-dimensional materials, but it is shown that in the double layer honeycomb form, even ordinary semiconductors, such as GaAs, can exhibit exotic topological properties.

cond-mat.mtrl-sci