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Zirui Liu

48 accepted papers

2026

$\texttt{FlashSchNet}$: Fast and Accurate Coarse-Grained Neural Network Molecular Dynamics

ICML 2026poster

Graph neural network (GNN) potentials such as SchNet improve the accuracy and transferability of molecular dynamics (MD) simulation by learning many-body interactions, but remain slower than classical force fields due to fragmented kernels and memory-bound pipelines that underutilize GPUs. We show t…

Cited by 0SourceScholar
2026

DTS: Enhancing Large Reasoning Models via Decoding Tree Sketching

ICML 2026poster

Large Reasoning Models (LRMs) achieve remarkable inference-time improvements through parallel thinking. However, existing methods rely on redundant sampling of reasoning trajectories, failing to effectively explore the reasoning space to uncover high-quality solutions. To address these limitations, …

Cited by 0SourceScholar
2026

Deterministic Inference across Tensor Parallel Sizes That Eliminates Training-Inference Mismatch

ICML 2026poster

Deterministic inference is increasingly critical for large language model (LLM) applications such as LLM-as-a-judge evaluation, multi-agent systems, and Reinforcement Learning (RL). However, existing LLM serving frameworks exhibit non-deterministic behavior: identical inputs can yield different outp…

Cited by 0SourceScholar
2026

Fewer Battles, More Gain: An Information-Efficient Framework for Arena-based LLM Evaluation

ICLR 2026poster

Arena-based evaluation has become a key method for assessing large language models (LLMs) through head-to-head model comparisons, closely reflecting human preferences. However, current arena rating systems (e.g., ELO rating system) often suffer from inefficiencies due to exhaustive or random model p…

Cited by 0SourcecodeScholar
2026

From Hypothesis to Premises: LLM-based Backward Logical Reasoning with Selective Symbolic Translation

AAAI 2026technical

Logical reasoning is a core challenge in natural language understanding and a fundamental capability of artificial intelligence, underpinning scientific discovery, mathematical theorem proving, and complex decision-making. Despite the remarkable progress of large language models (LLMs), most current

Cited by 0SourcePDFScholar
2026

Retrieval-of-Thought: Efficient Reasoning via Reusing Thoughts

ICLR 2026poster

Large reasoning models improve accuracy by producing long reasoning traces, but this inflates latency and cost, motivating inference-time efficiency. We propose Retrieval-of-Thought (RoT), which reuses prior reasoning as composable ``thought" steps to guide new problems. RoT organizes steps into a t…

Cited by 0SourcecodeScholar
2026

VisualAD: Language-Free Zero-Shot Anomaly Detection via Vision Transformer

CVPR 2026

Zero-shot anomaly detection (ZSAD) requires detecting and localizing anomalies without access to target-class anomaly samples. Mainstream methods rely on vision-language models (VLMs) such as CLIP: they build hand-crafted or learned prompt sets for normal and abnormal semantics, then compute image-t

Cited by 0SourcecodeScholar
2025

Accelerating LLM Reasoning via Early Rejection with Partial Reward Modeling

EMNLP 2025

Large Language Models (LLMs) are increasingly relied upon for solving complex reasoning tasks in domains such as mathematics, logic, and multi-step question answering. A growing line of work seeks to improve reasoning quality by scaling inference time compute particularly through Process Reward Mode

Cited by 0SourcePDFScholar
2025

AssistedDS: Benchmarking How External Domain Knowledge Assists LLMs in Automated Data Science

EMNLP 2025

Large language models (LLMs) have advanced the automation of data science workflows. Yet it remains unclear whether they can critically leverage external domain knowledge as human data scientists do in practice. To answer this question, we introduce AssistedDS (Assisted Data Science), a benchmark de

2025

Breaking the Frozen Subspace: Importance Sampling for Low-Rank Optimization in LLM Pretraining

NeurIPS 2025poster

Low-rank optimization has emerged as a promising approach to enabling memory-efficient training of large language models (LLMs). Existing low-rank optimization methods typically project gradients onto a low-rank subspace, reducing the memory cost of storing optimizer states. A key challenge in these…

Cited by 0SourceScholar
2025

Flexible Group Count Enables Hassle-Free Structured Pruning

CVPR 2025poster

Densely structured pruning methods -- which generate pruned models in a fully dense format, allowing immediate compression benefits without additional demands -- are evolving owing to their practical significance. Traditional techniques in this domain mainly revolve around coarser granularities, suc…

Cited by 0SourcePDFScholar
2025

From Commands to Prompts: LLM-based Semantic File System for AIOS

ICLR 2025poster

Large language models (LLMs) have demonstrated significant potential in the development of intelligent LLM-based agents. However, when users use these agent applications to perform file operations, their interaction with the file system still remains the traditional paradigm: reliant on manual navig…

2025

Language Ranker: A Metric for Quantifying LLM Performance Across High and Low-Resource Languages

AAAI 2025technical

The development of Large Language Models (LLMs) relies on extensive text corpora, which are often unevenly distributed across languages. This imbalance results in LLMs performing significantly better on high-resource languages like English, German, and French, while their capabilities in low-resourc…

2025

LoRATK: LoRA Once, Backdoor Everywhere in the Share-and-Play Ecosystem

EMNLP 2025

Backdoor attacks are powerful and effective, but distributing LLMs without a proven track record like ‘meta-llama‘ or ‘qwen‘ rarely gains community traction. We identify LoRA sharing as a unique scenario where users are more willing to try unendorsed assets, since such shared LoRAs allow them to enj

2025

Longer Context, Deeper Thinking: Uncovering the Role of Long-Context Ability in Reasoning

NeurIPS 2025poster

Recent language models exhibit strong reasoning capabilities, yet the influence of long-context capacity on reasoning remains underexplored. In this work, we hypothesize that current limitations in reasoning stem, in part, from insufficient long-context capacity, motivated by empirical observations…

Cited by 0SourceScholar
2025

Massive Values in Self-Attention Modules are the Key to Contextual Knowledge Understanding

ICML 2025poster

Large language models (LLMs) have achieved remarkable success in contextual knowledge understanding. In this paper, we show for the first time that these concentrated massive values consistently emerge in specific regions of attention queries (Q) and keys (K) while not having such patterns in values…

2025

Understanding and Mitigating Numerical Sources of Nondeterminism in LLM Inference

NeurIPS 2025oral

Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the reproducibility of LLM performance is fragile: changing system…

Cited by 0SourcecodeScholar
2025

Word Salad Chopper: Reasoning Models Waste A Ton Of Decoding Budget On Useless Repetitions, Self-Knowingly

EMNLP 2025

Large Reasoning Models (LRMs) are often bottlenecked by the high cost of output tokens. We show that a significant portion of these tokens are useless self-repetitions — what we call “word salad” — that exhaust the decoding budget without adding value. Interestingly, we observe that LRMs are self-aw

Cited by 0SourcePDFScholar
2025

Zeroth-Order Fine-Tuning of LLMs with Transferable Static Sparsity

ICLR 2025poster

Zeroth-order optimization (ZO) is a memory-efficient strategy for fine-tuning Large Language Models using only forward passes. However, applying ZO fine-tuning in memory-constrained settings such as mobile phones and laptops remains challenging since these settings often involve weight quantization,…

Cited by 0SourcePDFScholar
2025

am-ELO: A Stable Framework for Arena-based LLM Evaluation

ICML 2025spotlight

Arena-based evaluation is a fundamental yet significant evaluation paradigm for modern AI models, especially large language models (LLMs). Existing framework based on ELO rating system suffers from the inevitable instability problem due to ranking inconsistency and the lack of attention to the varyi…

Cited by 0SourcePDFScholar
2024

ARM: An Alignment-and-Replacement Module for Chinese Spelling Check Based on LLMs

EMNLP 2024main

Chinese Spelling Check (CSC) aims to identify and correct spelling errors in Chinese texts, where enhanced semantic understanding of a sentence can significantly improve correction accuracy. Recently, Large Language Models (LLMs) have demonstrated exceptional mastery of world knowledge and semantic…

2024

Chasing Fairness in Graphs: A GNN Architecture Perspective

AAAI 2024technical

There has been significant progress in improving the performance of graph neural networks (GNNs) through enhancements in graph data, model architecture design, and training strategies. For fairness in graphs, recent studies achieve fair representations and predictions through either graph data pre-p…

2024

Computerized Adaptive Testing via Collaborative Ranking

NeurIPS 2024poster

As the deep integration of machine learning and intelligent education, Computerized Adaptive Testing (CAT) has received more and more research attention. Compared to traditional paper-and-pencil tests, CAT can deliver both personalized and interactive assessments by automatically adjusting testing q…

Cited by 1SourcePDFScholar
2024

GNNs Also Deserve Editing, and They Need It More Than Once

ICML 2024poster

Suppose a self-driving car is crashing into pedestrians, or a chatbot is instructing its users to conduct criminal wrongdoing; the stakeholders of such products will undoubtedly want to patch these catastrophic errors as soon as possible. To address such concerns, *Model Editing:* the study of effic…

2024

Gradient Rewiring for Editable Graph Neural Network Training

NeurIPS 2024poster

Deep neural networks are ubiquitously adopted in many applications, such as computer vision, natural language processing, and graph analytics. However, well-trained neural networks can make prediction errors after deployment as the world changes. \textit{Model editing} involves updating the base mod…

2024

In Defense of Structural Sparse Adapters for Concurrent LLM Serving

EMNLP 2024finding

Adapting large language models (LLMs) to specific tasks remains challenging due to the extensive retraining required, prompting the need for efficient adapter techniques. Despite this, the concurrent serving of multiple adapters, each with unique matrix shapes, poses significant system-level challen…

Cited by 2SourcePDFScholar
2024

KIVI: A Tuning-Free Asymmetric 2bit Quantization for KV Cache

ICML 2024poster

Efficiently serving large language models (LLMs) requires batching many requests together to reduce the cost per request. Yet, the key-value (KV) cache, which stores attention keys and values to avoid re-computations, significantly increases memory demands and becomes the new bottleneck in speed and…

2024

KV Cache Compression, But What Must We Give in Return? A Comprehensive Benchmark of Long Context Capable Approaches

EMNLP 2024finding

Long context capability is a crucial competency for large language models (LLMs) as it mitigates the human struggle to digest long-form texts. This capability enables complex task-solving scenarios such as book summarization, code assistance, and many more tasks that are traditionally manpower-inten…

2024

Knowledge Graphs Can be Learned with Just Intersection Features

ICML 2024poster

Knowledge Graphs (KGs) are potent frameworks for knowledge representation and reasoning. Nevertheless, KGs are inherently incomplete, leaving numerous uncharted relationships and facts awaiting discovery. Deep learning methodologies have proven effective in enhancing KG completion by framing it as a…

Cited by 3SourcePDFScholar
2024

LLM Maybe LongLM: SelfExtend LLM Context Window Without Tuning

ICML 2024spotlight

It is well known that LLMs cannot generalize well to long contexts whose lengths are larger than the training sequence length. This poses challenges when employing LLMs for processing long input sequences during inference. In this work, we argue that LLMs themselves have inherent capabilities to han…

2024

Learning to Compress Prompt in Natural Language Formats

NAACL 2024long

Large language models (LLMs) are great at processing multiple natural language processing tasks, but their abilities are constrained by inferior performance with long context, slow inference speed, and the high cost of computing the results. Deploying LLMs with precise and informative context helps…

2024

QUEST: Efficient Extreme Multi-Label Text Classification with Large Language Models on Commodity Hardware

EMNLP 2024finding

Extreme multi-label text classification (EMTC) involves predicting multiple labels from a vast pool of candidates based on a user’s textual query. While traditional BERT-based methods have shown limited success, large language models (LLMs) have brought new possibilities. It is promising to leverage…

Cited by 1SourcePDFScholar
2024

Soft Prompt Recovers Compressed LLMs, Transferably

ICML 2024poster

Model compression is one of the most popular approaches to improve the accessibility of Large Language Models (LLMs) by reducing their memory footprint. However, the gaining of such efficiency benefits often simultaneously demands extensive engineering efforts and intricate designs to mitigate the p…

2024

TVE: Learning Meta-attribution for Transferable Vision Explainer

ICML 2024poster

Explainable machine learning significantly improves the transparency of deep neural networks. However, existing work is constrained to explaining the behavior of individual model predictions, and lacks the ability to transfer the explanation across various models and tasks. This limitation results i…

2024

Taylor Unswift: Secured Weight Release for Large Language Models via Taylor Expansion

EMNLP 2024main

Ensuring the security of released large language models (LLMs) poses a significant dilemma, as existing mechanisms either compromise ownership rights or raise data privacy concerns. To address this dilemma, we introduce TaylorMLP to protect the ownership of released LLMs and prevent their abuse. Spe…

2023

DIVISION: Memory Efficient Training via Dual Activation Precision

ICML 2023poster

Activation compressed training provides a solution towards reducing the memory cost of training deep neural networks (DNNs). However, state-of-the-art work combines a search of quantization bit-width with the training, which makes the procedure complicated and less transparent. To this end, we propo…

2023

One Less Reason for Filter Pruning: Gaining Free Adversarial Robustness with Structured Grouped Kernel Pruning

NeurIPS 2023poster

Densely structured pruning methods utilizing simple pruning heuristics can deliver immediate compression and acceleration benefits with acceptable benign performances. However, empirical findings indicate such naively pruned networks are extremely fragile under simple adversarial attacks. Naturally,…

2023

RSC: Accelerate Graph Neural Networks Training via Randomized Sparse Computations

ICML 2023poster

Training graph neural networks (GNNs) is extremely time consuming because sparse graph-based operations are hard to be accelerated by community hardware. Prior art successfully reduces the computation cost of dense matrix based operations (e.g., convolution and linear) via sampling-based approximati…

Cited by 28SourcePDFScholar
2023

Setting the Trap: Capturing and Defeating Backdoors in Pretrained Language Models through Honeypots

NeurIPS 2023poster

In the field of natural language processing, the prevalent approach involves fine-tuning pretrained language models (PLMs) using local samples. Recent research has exposed the susceptibility of PLMs to backdoor attacks, wherein the adversaries can embed malicious prediction behaviors by manipulating…

Cited by 18SourcePDFScholar
2023

Winner-Take-All Column Row Sampling for Memory Efficient Adaptation of Language Model

NeurIPS 2023poster

As the model size grows rapidly, fine-tuning the large pre-trained language model has become increasingly difficult due to its extensive memory usage. Previous works usually focus on reducing the number of trainable parameters in the network. While the model parameters do contribute to memory usag…

2022

A Comprehensive Study on Large-Scale Graph Training: Benchmarking and Rethinking

NeurIPS 2022accept

Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory space. Up to now, though numerous scalable GNN architectures ha…

2022

An Information Fusion Approach to Learning with Instance-Dependent Label Noise

ICLR 2022poster

Instance-dependent label noise (IDN) widely exists in real-world datasets and usually misleads the training of deep neural networks. Noise transition matrix (NTM) (i.e., the probability that clean labels flip into noisy labels) is used to characterize the label noise and can be adopted to bridge the…

Cited by 45SourcePDFScholar
2022

DreamShard: Generalizable Embedding Table Placement for Recommender Systems

NeurIPS 2022accept

We study embedding table placement for distributed recommender systems, which aims to partition and place the tables on multiple hardware devices (e.g., GPUs) to balance the computation and communication costs. Although prior work has explored learning-based approaches for the device placement of co…

2022

EXACT: Scalable Graph Neural Networks Training via Extreme Activation Compression

ICLR 2022poster

Training Graph Neural Networks (GNNs) on large graphs is a fundamental challenge due to the high memory usage, which is mainly occupied by activations (e.g., node embeddings). Previous works usually focus on reducing the number of nodes retained in memory. In parallel, unlike what has been developed…

Cited by 67SourcePDFScholar
2022

Table2Graph: Transforming Tabular Data to Unified Weighted Graph

IJCAI 2022poster

Learning useful interactions between input features is crucial for tabular data modeling. Recent efforts start to explicitly model the feature interactions with graph, where each feature is treated as an individual node. However, the existing graph construction methods either heuristically formula…

Cited by 26SourcePDFScholar
2021

DivAug: Plug-In Automated Data Augmentation With Explicit Diversity Maximization

ICCV 2021poster

Human-designed data augmentation strategies havebeen replaced by automatically learned augmentation pol-icy in the past two years. Specifically, recent works haveexperimentally shown that the superior performance of theautomated methods stems from increasing the diversity ofaugmented data. However,…

Cited by 25PDFcodeScholar
2020

Detecting Interactions from Neural Networks via Topological Analysis

NeurIPS 2020poster

Detecting statistical interactions between input features is a crucial and challenging task. Recent advances demonstrate that it is possible to extract learned interactions from trained neural networks. It has also been observed that, in neural networks, any interacting features must follow a strong…

Cited by 14SourcePDFScholar