Yi Fan

Minwei Kong, Chonghe Jiang, Ao Qu et al.

Large language models (LLMs) are increasingly used for optimization modeling and solver-code generation, yet practical operations research and optimization problems often require a harder capability: designing scalable algorithms that exploit problem structure and outperform direct formulation-and-solve baselines. Existing benchmarks are limited to small or simplified examples far below real-world scale and complexity. We introduce FrontierOR, among the first benchmarks to systematically evaluate LLM-based efficient algorithm design for realistic large-scale optimization problems. FrontierOR includes 180 tasks derived from methodologically diverse papers published in top-tier operations research venues, each with standardized instances and a hidden, expert-verified evaluation suite. We evaluate seven LLMs spanning frontier, cost-effective, and open-source models both in one-shot and test-time evolution settings. The results reveal that frontier models still struggle to move from executable formulations to efficient optimization algorithms: the strongest one-shot model outperforms Gurobi in only 31% of cases in both solution quality and computational efficiency, and even strong coding agents with test-time evolution achieve only 50% on selected hard tasks. FrontierOR establishes a practical evaluation platform for LLM-based optimization algorithm design, which enables future LLMs and agents to be systematically tested on whether they can move beyond correct formulation toward a feasible, high-quality, and efficient algorithm. Our FrontierOR Benchmark is available at https://anonymous.4open.science/r/efficient-opt-bench-F03D.

Yangjun Wu, Chu Guo, Yi Fan et al.

Neural network quantum state (NNQS) has emerged as a promising candidate for quantum many-body problems, but its practical applications are often hindered by the high cost of sampling and local energy calculation. We develop a high-performance NNQS method for \textit{ab initio} electronic structure calculations. The major innovations include: (1) A transformer based architecture as the quantum wave function ansatz; (2) A data-centric parallelization scheme for the variational Monte Carlo (VMC) algorithm which preserves data locality and well adapts for different computing architectures; (3) A parallel batch sampling strategy which reduces the sampling cost and achieves good load balance; (4) A parallel local energy evaluation scheme which is both memory and computationally efficient; (5) Study of real chemical systems demonstrates both the superior accuracy of our method compared to state-of-the-art and the strong and weak scalability for large molecular systems with up to $120$ spin orbitals.

Yi Fan, Vishnu Jejjala, Yang Lei

Based on a transformer based sequence-to-sequence architecture combined with a dynamic batching algorithm, this work introduces a machine learning framework for automatically simplifying complex expressions involving multiple elliptic Gamma functions, including the $q$-$θ$ function and the elliptic Gamma function. The model learns to apply algebraic identities, particularly the SL$(2,\mathbb{Z})$ and SL$(3,\mathbb{Z})$ modular transformations, to reduce heavily scrambled expressions to their canonical forms. Experimental results show that the model achieves over 99\% accuracy on in-distribution tests and maintains robust performance (exceeding 90\% accuracy) under significant extrapolation, such as with deeper scrambling depths. This demonstrates that the model has internalized the underlying algebraic rules of modular transformations rather than merely memorizing training patterns. Our work presents the first successful application of machine learning to perform symbolic simplification using modular identities, offering a new automated tool for computations with special functions in quantum field theory and the string theory.

Yiming Tang, Yi Fan, Chenxiao Yu et al.

The integration of large language models (LLMs) into information retrieval systems introduces new attack surfaces, particularly for adversarial ranking manipulations. We present $\textbf{StealthRank}$, a novel adversarial attack method that manipulates LLM-driven ranking systems while maintaining textual fluency and stealth. Unlike existing methods that often introduce detectable anomalies, StealthRank employs an energy-based optimization framework combined with Langevin dynamics to generate StealthRank Prompts (SRPs)-adversarial text sequences embedded within item or document descriptions that subtly yet effectively influence LLM ranking mechanisms. We evaluate StealthRank across multiple LLMs, demonstrating its ability to covertly boost the ranking of target items while avoiding explicit manipulation traces. Our results show that StealthRank consistently outperforms state-of-the-art adversarial ranking baselines in both effectiveness and stealth, highlighting critical vulnerabilities in LLM-driven ranking systems. Our code is publicly available at $\href{https://github.com/Tangyiming205069/controllable-seo}{here}$.

Yi Xie, Yangyang Xu, Yi Fan et al.

Large language models (LLMs) with a large number of parameters achieve strong performance but are often prohibitively expensive to deploy. Recent work explores using teams of smaller, more efficient LLMs that collectively match or even outperform a single large model. However, jointly updating multiple agents introduces compounding distribution shifts, making coordination and stability during training difficult. We address this by introducing Sequential Agent Tuning (SAT), a coordinator-free training paradigm. SAT represents the team as a factorized policy and employs block-coordinate updates over agents, enabling scalable, decentralized training without a central controller. Specifically, we develop a sequence-aware, on-policy advantage estimator that conditions on the evolving team policy, coupled with per-agent KL trust regions that isolate occupancy drift. Theoretically, this framework provides two critical guarantees. First, it ensures monotonic improvement, stabilizing the training process. Second, it establishes provable plug-and-play invariance: any agent can be upgraded to a stronger model without retraining the rest of the team, with a formal guarantee that the performance bound improves. Empirically, a team of three 4B agents (12B total) trained with SAT surpasses the much larger Qwen3-32B on AIME24/25 benchmarks by 3.9\% on average. We validate our plug-and-play theory by swapping in two 8B agents, which boosts the composite score by 10.4\%. We provide code and appendix of proof at https://github.com/Yydc/SAT-AAMAS

Yiqin Yang, Hao Hu, Yihuan Mao et al.

Preference-based reinforcement learning (PbRL) can help avoid sophisticated reward designs and align better with human intentions, showing great promise in various real-world applications. However, obtaining human feedback for preferences can be expensive and time-consuming, which forms a strong barrier for PbRL. In this work, we address the problem of low query efficiency in offline PbRL, pinpointing two primary reasons: inefficient exploration and overoptimization of learned reward functions. In response to these challenges, we propose a novel algorithm, \textbf{O}ffline \textbf{P}b\textbf{R}L via \textbf{I}n-\textbf{D}ataset \textbf{E}xploration (OPRIDE), designed to enhance the query efficiency of offline PbRL. OPRIDE consists of two key features: a principled exploration strategy that maximizes the informativeness of the queries and a discount scheduling mechanism aimed at mitigating overoptimization of the learned reward functions. Through empirical evaluations, we demonstrate that OPRIDE significantly outperforms prior methods, achieving strong performance with notably fewer queries. Moreover, we provide theoretical guarantees of the algorithm's efficiency. Experimental results across various locomotion, manipulation, and navigation tasks underscore the efficacy and versatility of our approach.

Ecenaz Erdemir, Kyuhong Park, Michael J. Morais et al.

As businesses increasingly adopt cloud technologies, they also need to be aware of new security challenges, such as server-side script attacks, to ensure the integrity of their systems and data. These scripts can steal data, compromise credentials, and disrupt operations. Unlike executables with standardized formats (e.g., ELF, PE), scripts are plaintext files with diverse syntax, making them harder to detect using traditional methods. As a result, more sophisticated approaches are needed to protect cloud infrastructures from these evolving threats. In this paper, we propose novel feature extraction and deep learning (DL)-based approaches for static script malware detection, targeting server-side threats. We extract features from plain-text code using two techniques: syntactic code highlighting (SCH) and abstract syntax tree (AST) construction. SCH leverages complex regexes to parse syntactic elements of code, such as keywords, variable names, etc. ASTs generate a hierarchical representation of a program's syntactic structure. We then propose a sequential and a graph-based model that exploits these feature representations to detect script malware. We evaluate our approach on more than 400K server-side scripts in Bash, Python and Perl. We use a balanced dataset of 90K scripts for training, validation, and testing, with the remaining from 400K reserved for further analysis. Experiments show that our method achieves a true positive rate (TPR) up to 81% higher than leading signature-based antivirus solutions, while maintaining a low false positive rate (FPR) of 0.17%. Moreover, our approach outperforms various neural network-based detectors, demonstrating its effectiveness in learning code maliciousness for accurate detection of script malware.

Matthew Butler, Yi Fan, Christos Faloutsos

The proposed method (FraudFox) provides solutions to adversarial attacks in a resource constrained environment. We focus on questions like the following: How suspicious is `Smith', trying to buy \$500 shoes, on Monday 3am? How to merge the risk scores, from a handful of risk-assessment modules (`oracles') in an adversarial environment? More importantly, given historical data (orders, prices, and what-happened afterwards), and business goals/restrictions, which transactions, like the `Smith' transaction above, which ones should we `pass', versus send to human investigators? The business restrictions could be: `at most $x$ investigations are feasible', or `at most \$$y$ lost due to fraud'. These are the two research problems we focus on, in this work. One approach to address the first problem (`oracle-weighting'), is by using Extended Kalman Filters with dynamic importance weights, to automatically and continuously update our weights for each 'oracle'. For the second problem, we show how to derive an optimal decision surface, and how to compute the Pareto optimal set, to allow what-if questions. An important consideration is adaptation: Fraudsters will change their behavior, according to our past decisions; thus, we need to adapt accordingly. The resulting system, \method, is scalable, adaptable to changing fraudster behavior, effective, and already in \textbf{production} at Amazon. FraudFox augments a fraud prevention sub-system and has led to significant performance gains.

Yi Fan, Nan Li, Chengqian Li et al.

The tabu and restart are two fundamental strategies for local search. In this paper, we improve the local search algorithms for solving the Maximum Weight Clique (MWC) problem by introducing new tabu and restart strategies. Both the tabu and restart strategies proposed are based on the notion of a local search scenario, which involves not only a candidate solution but also the tabu status and unlocking relationship. Compared to the strategy of configuration checking, our tabu mechanism discourages forming a cycle of unlocking operations. Our new restart strategy is based on the re-occurrence of a local search scenario instead of that of a candidate solution. Experimental results show that the resulting MWC solver outperforms several state-of-the-art solvers on the DIMACS, BHOSLIB, and two benchmarks from practical applications.

Yi Fan, Chengqian Li, Zongjie Ma et al.

The Minimum Vertex Cover (MinVC) problem is a well-known NP-hard problem. Recently there has been great interest in solving this problem on real-world massive graphs. For such graphs, local search is a promising approach to finding optimal or near-optimal solutions. In this paper we propose a local search algorithm that exploits reduction rules and data structures to solve the MinVC problem in such graphs. Experimental results on a wide range of real-word massive graphs show that our algorithm finds better covers than state-of-the-art local search algorithms for MinVC. Also we present interesting results about the complexities of some well-known heuristics.