Searcharxiv⌕ Search

arXiv subjects

Tianqi Chen

Publications and source records attributed to Tianqi Chen.

At least 19 recordsLinked to original sources
arXiv2026

A Recursive Module-Coupling Algorithm for Computing Low-Energy Eigenstates

Finding the eigenstates of a many-body Hamiltonian is a fundamental challenge in physics and computational science. Since the search space grows exponentially with system size, numerous classical and quantum algorithms have been developed to address this problem. A practical strategy is to identify a physics-informed low-dimensional subspace that effectively accommodates the low-lying eigenstates, thereby reducing the computational complexity. In this paper, we propose a recursive module-coupling algorithm, which iteratively treats a system as a composition of locally-coupled smaller modules, with low-energy subspace estimated successively according to the same recursive structure. Unlike the density matrix renormalization group (DMRG) approach that optimizes a global matrix product state through repeated local sweeps and obtains excited states sequentially, our algorithm constructs a physically tailored variational basis from module eigenstates and obtains several low-energy states on an equal footing, leading to substantial speedups if targeting moderate accuracy. Our proposed method further leads naturally to a recursive quantum variational algorithm, providing a systematic and modular circuit-construction framework compatible with contemporary gate-based quantum architectures. At each recursive level, block encoders are trained to map logical basis states onto the retained physical subspace, within which a variational circuit is subsequently optimized. Such a quantum-circuit implementation provides not only a quantum multistate eigensolver, but also a systematic prescription for hierarchically constructing quantum state-preparation circuits. Classical simulations demonstrate the accuracy and efficiency of the proposed method, whereas experiments on IBM quantum processors show that eigenstate preparation with reasonable fidelities is achievable even in the current NISQ era.

quant-ph↗
arXiv2026

Resource-Efficient Bio-Molecular Docking on a NISQ-era Digital Quantum Computer

Molecular docking is a vital computational task in drug discovery, wherein the objective is to efficiently identify optimal binding poses between a ligand and a target receptor protein. Due to the combinatorial explosion of possible binding configurations, docking of large and flexible molecules remains a computationally intensive problem, especially at scale. Early studies have revealed that the molecular docking can be re-cast as a maximum vertex-weighted clique problem (MVWCP) problem on a compatibility graph to be solved classically. In this work, we proposed a hybrid quantum-classical approach for molecular docking leveraging the MVWCP formalism with a variational full-basis encoding (FBE) strategy, which enables efficient encoding of classical binary variables with Bloch sphere vectors. We further prove that a global minimizer of the FBE objective can always be chosen to be a pure product state, thereby providing a rigorous justification for its optimization using a unitary variational circuit. The molecular docking problem is first mapped to a cost Hamiltonian that is minimized within a variational framework, optimized via a randomized imaginary time evolution (ITE)-inspired warm start, and gradient-based techniques. Finally, we also executed the circuit on an IBM quantum computer, underlying the feasibility and of quantum-assisted optimization for structure-based drug design and point towards the broader utility of advanced encoding techniques in quantum optimization for computational biology.

quant-ph↗
arXiv2026

CAKE: Compiler-Agent Co-Design for Frontier Kernel Evolution

GPU kernel agents and GPU programming languages have advanced separately, leaving expert kernels difficult to reproduce. Agents usually treat the compiler as a fixed black box and receive only errors, correctness outcomes, and timing, while existing DSLs either hide critical scheduling decisions or expose them through difficult layout abstractions. We present CAKE, a compiler-agent co-design in which agents author CAKE IR, a typed, hardware-explicit schedule representation. CAKE exposes warp roles, memory movement, synchronization, and pipelines while supporting verification, cost modeling, and localized diagnostics. The harness itself evolves: recurring failures become verifier rules, IR primitives, model calibrations, and reusable optimization tactics. In matched implementation-hidden Flash-KMeans clean starts on B200, the best CAKE IR candidate at an 80-million-token budget runs at 1.144x the tuned FlashML baseline, compared with 0.928x for direct CUDA/PTX. Beyond this benchmark, agent-generated Kimi Delta Attention achieves a 2.05x geometric-mean speedup over official FlashKDA and passes end-to-end serving validation. Dispatcher-backed KNN and KMeans improve performance by 1.42x to 2.12x across more than 400 shapes, and four kernel changes are available as upstream PRs. CAKE targets NVIDIA GPUs from Ampere through Blackwell and separates single-shape evolution from library generalization and dispatch.

cs.LG↗
arXiv2026

Manipulation of Topological Corner States via Subchiral Symmetry

Higher-order topological phases provide robust corner modes, but their use requires controllable creation, isolation, and transfer of individual modes and their superpositions. Here we demonstrate, using the two-dimensional Benalcazar-Bernevig-Hughes model as an example, that subchiral symmetry provides a general control principle for manipulating topological corner modes. The conventional chiral symmetry decomposes into four subchiral symmetries, each associated with one zero-energy corner mode. By selectively breaking these subsymmetries with controlled intercell hoppings, we reduce the fourfold corner-state manifold step by step to single isolated modes. We further design adiabatic protocols that transfer either a single corner state or a superposition of two corner states between selected corners, while preserving the relative phase in the latter case. Both numerical simulations and IBM quantum-processor implementations show that the proposed protocols can be executed with high fidelity, establishing subchiral symmetry as a route to programmable higher-order topological state manipulation.

quant-ph↗
arXiv2026

PPDM: Pixel Puzzling Diffusion Model for Speed and Memory Efficient Volumetric Medical Image Translation

Diffusion models have demonstrated superior fidelity for medical image-to-image translation, but their extension to high-resolution 3D volumes is severely constrained by prohibitive computational cost and GPU memory requirements. Existing memory-efficient strategies often compromise global volumetric consistency or fine anatomical detail. In this work, we propose the Pixel Puzzling Diffusion Model (PPDM), a simple and effective framework for memory- and speed-efficient 3D medical image translation. PPDM introduces a reversible pixel puzzle-unpuzzle operator that trades spatial resolution for channel dimensionality, substantially reducing activation memory while preserving global context. To further improve efficiency and stability, we adopt a direct bridge diffusion formulation that starts from the conditional input rather than pure noise, enabling the model to focus on task-relevant residuals. In addition, a puzzle-gradient loss is incorporated to enforce spatial coherence and suppress grid-like artifacts introduced by spatial rearrangement. We evaluate PPDM on multiple challenging 3D medical image translation tasks, including low-count PET denoising, joint PET denoising and attenuation correction, and cross-modal MRI translation. Across all tasks, PPDM consistently matches or outperforms full 3D diffusion models while reducing training GPU memory usage by up to an order of magnitude and significantly accelerating inference, and it outperforms existing memory-efficient diffusion approaches based on latent compression or frequency decomposition. These results demonstrate that PPDM provides a practical and scalable solution for high-fidelity 3D diffusion-based medical image translation under limited computational resources.

cs.CV↗
arXiv2026

Competitive Analysis for Online Fair Division under Multiple Fairness Notions

We study the online fair division of indivisible items with additive utilities, where items arrive sequentially and must be irrevocably allocated upon arrival. Considering various fairness notions, we focus on designing online algorithms that produce fair or approximately fair allocations for any instance. We measure algorithm performance using the competitive ratio, defined as the worst-case ratio between the fairness guarantee achieved by the online algorithm and that of an optimal offline allocation with full knowledge of future arrivals. We examine a broad spectrum of models, including the allocation of goods or chores, normalized versus non-normalized utilities, and identical versus general utility functions. We address the majority of the unresolved cases by providing online algorithms or proving the limits of the competitive ratio achievable by online algorithms. In most cases, the algorithms are shown to be optimal.

cs.GT↗
arXiv2026

Less Is More: Training-Free Acceleration Framework of 3D Diffusion Models for Low-Count PET Denoising via Global-Local Trajectory Reduction

Accurate quantification and uptake measurement in PET are critical for assessing disease progression and supporting clinical decision-making. While high-count PET provides reliable image quality, the associated radiation dose and prolonged acquisition remain significant clinical concerns, motivating the adoption of low-count protocols. Diffusion-model-based methods have demonstrated strong potential for restoring low-count PET to near high-count quality, but their iterative sampling procedure becomes prohibitively expensive when applied to high-resolution 3D PET volumes, introducing substantial inference latency that limits practical clinical deployment. To address these challenges, we propose a training-free Global-Local Skipping Strategy that accelerates diffusion model-based 3D PET denoising while simultaneously improving reconstruction quality. The proposed method is plug-and-play and directly applicable to pre-trained diffusion models without retraining or architectural modification. Specifically, we introduce: (i) a global denoising step skipping strategy that initializes the reverse diffusion process from an intermediate denoising step using a noise-consistent transformation of the low-count input, substantially reducing the number of required denoising steps; and (ii) a local feature reuse shortcut that reuses slowly-varying high-level U-Net features across neighboring denoising steps, further reducing per-step computation while preserving image fidelity. We evaluate the proposed approach on multiple PET tracers from in-house and public datasets, including 18F-FDG PET, 68Ga-DOTATATE PET, and 18F-PSMA PET, demonstrating consistent acceleration of over an order of magnitude alongside improved or comparable reconstruction performance relative to the full-step baseline. Blinded reader studies further confirm enhanced clinical confidence and perceived diagnostic quality.

cs.CV↗
arXiv2026

Simulating Condensed Matter Physics on Quantum Hardware

Quantum hardware platforms are getting increasingly sophisticated in their ability to simulate condensed matter, including but not limited to strongly-correlated, topological, and non-equilibrium phenomena. This review surveys recent progress in quantum-hardware-based simulations of condensed matter, primarily emphasizing gate-based digital quantum computer simulation, with analog experiments discussed as complementary benchmarks. We first review major hardware platforms, including superconducting qubits, trapped-ions, ultracold atoms, Rydberg arrays, photonic systems, and moire quantum materials. We then introduce the basic ingredients of digital quantum simulation. Building on this foundation, we discuss representative applications to condensed-matter physics, spanning ground-state problems, strongly correlated matter, topological phases, non-equilibrium dynamics, open-system physics, and high-energy-physics-inspired simulations. Finally, we summarize key methodological tools used in state-of-the-art quantum-simulation workflows. We emphasize that present noisy quantum simulations serve not only as near-term demonstrations, but also as prototypes for the encodings, diagnostic protocols and error-control strategies required for future fault-tolerant quantum simulation.

cond-mat.str-el↗
arXiv2026

PithTrain: A Compact and Agent-Native MoE Training System

Mixture-of-Experts (MoE) has become the dominant architecture for frontier language models. To meet this demand, production frameworks have built optimized MoE training stacks over years of engineering effort. Yet evolving these stacks for new architectures and system optimizations remains expensive. With the rise of AI coding agents, they could automate parts of training-framework development and accelerate this evolution. But applying them to these existing frameworks carries hidden costs, invisible to today's throughput-only evaluations. We name this missing dimension agent-task efficiency (ATE): the cost of using coding agents to understand, operate, and extend a framework. Grounded in four agent-native design principles, we build PithTrain, a compact, agent-native MoE training framework. We further introduce ATE-Bench, covering real-world training-framework tasks. Our evaluation shows PithTrain matches the throughput of production frameworks, and on ATE-Bench, PithTrain enables higher agent-task efficiency, with up to 62% fewer Agent Turns and 64% less Active GPU Time.

cs.LG↗
arXiv2026

Digital Simulation of Non-Hermitian Knotted Bands on Quantum Hardware

Knots and links represent a fundamental motif of non-local connectivity that permeates the physical sciences from string theory to protein folds. While spectral braiding has been explored in two-band non-Hermitian models across various platforms, its direct simulation and characterization on programmable quantum hardware, particularly beyond two strands, remains a formidable challenge due to the limitations of variational optimization in these systems. Here, we introduce a family of non-Hermitian multi-band twister models and implement a non-variational protocol to characterize their complex braided band structures on a programmable superconducting quantum processor. By mapping the winding of eigenstates to the spectral topology, we devise an efficient measurement strategy that extracts braid information, including braid words and knot invariants like the Alexander and Jones polynomials, without requiring full spectral tomography or repeated optimization. We experimentally demonstrate the reconstruction of complicated knots and links such as the Hopf chain and Solomon's knot. Our approach provides a general framework for investigating exotic non-Hermitian topology on near-term quantum devices, opening a route to simulate more sophisticated topological structures in knot theory.

quant-ph↗
arXiv2026

AdaExplore: Failure-Driven Adaptation and Diversity-Preserving Search for Efficient Kernel Generation

Recent large language model (LLM) agents have shown promise in using execution feedback for test-time adaptation. However, robust self-improvement remains far from solved: most approaches still treat each problem instance independently, without accumulating reusable knowledge. This limitation is particularly pronounced in domain-specific languages such as Triton, which are underrepresented in LLM pretraining data. Their strict constraints and non-linear optimization landscape further make naive generation and local refinement unreliable. We propose AdaExplore, an agent framework that enables self-improvement via accumulated execution feedback for performance-critical kernel code generation through two complementary stages: failure-driven adaptation and diversity-preserving search, jointly improving correctness and optimization performance without additional fine-tuning or external knowledge. In the adaptation stage, the agent synthesizes tasks and converts recurring failures into a reusable memory of validity rules, helping subsequent generations remain within the feasible set. In the search stage, the agent organizes candidate kernels as a tree and alternates between small local refinements and larger structural regeneration, allowing it to explore the optimization landscape beyond local optima. Experiments on kernel runtime optimization benchmarks validate these gains: AdaExplore achieves 3.11x and 1.62x speedups on KernelBench Level-2 and Level-3, respectively, within 100 steps, and continues to improve with additional computation.

cs.CL↗
arXiv2026

Event Tensor: A Unified Abstraction for Compiling Dynamic Megakernel

Modern GPU workloads, especially large language model (LLM) inference, suffer from kernel launch overheads and coarse synchronization that limit inter-kernel parallelism. Recent megakernel techniques fuse multiple operators into a single persistent kernel to eliminate launch gaps and expose inter-kernel parallelism, but struggle to handle dynamic shapes and data-dependent computation in real workloads. We present Event Tensor, a unified compiler abstraction for dynamic megakernels. Event Tensor encodes dependencies between tiled tasks, and enables first-class support for both shape and data-dependent dynamism. Built atop this abstraction, our Event Tensor Compiler (ETC) applies static and dynamic scheduling transformations to generate high-performance persistent kernels. Evaluations show that ETC achieves state-of-the-art LLM serving latency while significantly reducing system warmup overhead.

cs.DC↗
arXiv2026

AVO: Agentic Variation Operators for Autonomous Evolutionary Search

Agentic Variation Operators (AVO) are a new family of evolutionary variation operators that replace the fixed mutation, crossover, and hand-designed heuristics of classical evolutionary search with autonomous coding agents. Rather than confining a language model to candidate generation within a prescribed pipeline, AVO instantiates variation as a self-directed agent loop that can consult the current lineage, a domain-specific knowledge base, and execution feedback to propose, repair, critique, and verify implementation edits. We evaluate AVO on attention, among the most aggressively optimized kernel targets in AI, on NVIDIA Blackwell (B200) GPUs. Over 7 days of continuous autonomous evolution on multi-head attention, AVO discovers kernels that outperform cuDNN by up to 3.5% and FlashAttention-4 by up to 10.5% across the evaluated configurations. The discovered optimizations transfer readily to grouped-query attention, requiring only 30 minutes of additional autonomous adaptation and yielding gains of up to 7.0% over cuDNN and 9.3% over FlashAttention-4. Together, these results show that agentic variation operators move beyond prior LLM-in-the-loop evolutionary pipelines by elevating the agent from candidate generator to variation operator, and can discover performance-critical micro-architectural optimizations that produce kernels surpassing state-of-the-art expert-engineered attention implementations on today's most advanced GPU hardware.

cs.LG↗
arXiv2026

SOL-ExecBench: Speed-of-Light Benchmarking for Real-World GPU Kernels Against Hardware Limits

As agentic AI systems become increasingly capable of generating and optimizing GPU kernels, progress is constrained by benchmarks that reward speedup over software baselines rather than proximity to hardware-efficient execution. We present SOL-ExecBench, a benchmark of 235 CUDA kernel optimization problems extracted from 124 production and emerging AI models spanning language, diffusion, vision, audio, video, and hybrid architectures, targeting NVIDIA Blackwell GPUs. The benchmark covers forward and backward workloads across BF16, FP8, and NVFP4, including kernels whose best performance is expected to rely on Blackwell-specific capabilities. Unlike prior benchmarks that evaluate kernels primarily relative to software implementations, SOL-ExecBench measures performance against analytically derived Speed-of-Light (SOL) bounds computed by SOLAR, our pipeline for deriving hardware-grounded SOL bounds, yielding a fixed target for hardware-efficient optimization. We report a SOL Score that quantifies how much of the gap between a release-defined scoring baseline and the hardware SOL bound a candidate kernel closes. To support robust evaluation of agentic optimizers, we additionally provide a sandboxed harness with GPU clock locking, L2 cache clearing, isolated subprocess execution, and static analysis based checks against common reward-hacking strategies. SOL-ExecBench reframes GPU kernel benchmarking from beating a mutable software baseline to closing the remaining gap to hardware Speed-of-Light.

cs.LG↗
arXiv2026

Axe: A Simple Unified Layout Abstraction for Machine Learning Compilers

Scaling modern deep learning workloads demands coordinated placement of data and compute across device meshes, memory hierarchies, and heterogeneous accelerators. We present Axe Layout, a hardware-aware abstraction that maps logical tensor coordinates to a multi-axis physical space via named axes. Axe unifies tiling, sharding, replication, and offsets across inter-device distribution and on-device layouts, enabling collective primitives to be expressed consistently from device meshes to threads. Building on Axe, we design a multi-granularity, distribution-aware DSL and compiler that composes thread-local control with collective operators in a single kernel. Experiments show that our unified approach can bring performance close to hand-tuned kernels on across latest GPU devices and multi-device environments and accelerator backends.

cs.DC↗
arXiv2026

VibeTensor: System Software for Deep Learning, Fully Generated by AI Agents

VIBETENSOR is an open-source research system software stack for deep learning, generated by LLM-powered coding agents under high-level human guidance. In this paper, "fully generated" refers to code provenance: implementation changes were produced and applied as agent-proposed diffs; validation relied on agent-run builds, tests, and differential checks, without per-change manual diff review. It implements a PyTorch-style eager tensor library with a C++20 core (CPU+CUDA), a torch-like Python overlay via nanobind, and an experimental Node.js/TypeScript interface. Unlike thin bindings, VIBETENSOR includes its own tensor/storage system, schema-lite dispatcher, reverse-mode autograd, CUDA runtime (streams/events/graphs), a stream-ordered caching allocator with diagnostics, and a stable C ABI for dynamically loaded operator plugins. We view this release as a milestone for AI-assisted software engineering: it shows coding agents can generate a coherent deep learning runtime spanning language bindings down to CUDA memory management, validated primarily by builds and tests. We describe the architecture, summarize the workflow used to produce and validate the system, and evaluate the artifact. We report repository scale and test-suite composition, and summarize reproducible microbenchmarks from an accompanying AI-generated kernel suite, including fused attention versus PyTorch SDPA/FlashAttention. We also report end-to-end training sanity checks on 3 small workloads (sequence reversal, ViT, miniGPT) on NVIDIA H100 (Hopper, SM90) and Blackwell-class GPUs; multi-GPU results are Blackwell-only and use an optional CUTLASS-based ring-allreduce plugin gated on CUDA 13+ and sm103a toolchain support. Finally, we discuss failure modes in generated system software, including a "Frankenstein" composition effect where locally correct subsystems interact to yield globally suboptimal performance.

cs.SE↗
arXiv2026

XGrammar-2: Dynamic and Efficient Structured Generation Engine for Agentic LLMs

Modern LLM agents increasingly rely on dynamic structured generation, such as tool calling and response protocols. Unlike traditional structured generation with static structures, these workloads vary both across requests and within a request, posing new challenges to existing engines. We present XGrammar-2, a structured generation engine for dynamic agentic workloads. Our design is based on two key ideas: first-class support for tag-triggered structure switching, and fine-grained reuse across requests with different output structures. Concretely, XGrammar-2 introduces TagDispatch for dynamic structural dispatching and Cross-Grammar Cache for substructure-level cache reuse across grammars. It further improves efficiency with an Earley-based adaptive token mask cache, just-in-time compilation, and repetition state compression. Experiments show that XGrammar-2 achieves over 6x faster compilation than prior structured generation engines, and incurs near-zero end-to-end overhead in modern LLM serving systems.

cs.AI↗
arXiv2026

FlashInfer-Bench: Building the Virtuous Cycle for AI-driven LLM Systems

Recent advances show that large language models (LLMs) can act as autonomous agents capable of generating GPU kernels, but integrating these AI-generated kernels into real-world inference systems remains challenging. FlashInfer-Bench addresses this gap by establishing a standardized, closed-loop framework that connects kernel generation, benchmarking, and deployment. At its core, FlashInfer Trace provides a unified schema describing kernel definitions, workloads, implementations, and evaluations, enabling consistent communication between agents and systems. Built on real serving traces, FlashInfer-Bench includes a curated dataset, a robust correctness- and performance-aware benchmarking framework, a public leaderboard to track LLM agents' GPU programming capabilities, and a dynamic substitution mechanism (apply()) that seamlessly injects the best-performing kernels into production LLM engines such as SGLang and vLLM. Using FlashInfer-Bench, we further evaluate the performance and limitations of LLM agents, compare the trade-offs among different GPU programming languages, and provide insights for future agent design. FlashInfer-Bench thus establishes a practical, reproducible pathway for continuously improving AI-generated kernels and deploying them into large-scale LLM inference.

cs.AI↗