Xinshang Wang

Ziang Chen, Jialin Liu, Xinshang Wang et al.

Learning to optimize is a rapidly growing area that aims to solve optimization problems or improve existing optimization algorithms using machine learning (ML). In particular, the graph neural network (GNN) is considered a suitable ML model for optimization problems whose variables and constraints are permutation--invariant, for example, the linear program (LP). While the literature has reported encouraging numerical results, this paper establishes the theoretical foundation of applying GNNs to solving LPs. Given any size limit of LPs, we construct a GNN that maps different LPs to different outputs. We show that properly built GNNs can reliably predict feasibility, boundedness, and an optimal solution for each LP in a broad class. Our proofs are based upon the recently--discovered connections between the Weisfeiler--Lehman isomorphism test and the GNN. To validate our results, we train a simple GNN and present its accuracy in mapping LPs to their feasibilities and solutions.

Ziang Chen, Jialin Liu, Xinshang Wang et al.

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating researchers to seek new acceleration techniques for MILPs. With deep learning, they have obtained strong empirical results, and many results were obtained by applying graph neural networks (GNNs) to making decisions in various stages of MILP solution processes. This work discovers a fundamental limitation: there exist feasible and infeasible MILPs that all GNNs will, however, treat equally, indicating GNN's lacking power to express general MILPs. Then, we show that, by restricting the MILPs to unfoldable ones or by adding random features, there exist GNNs that can reliably predict MILP feasibility, optimal objective values, and optimal solutions up to prescribed precision. We conducted small-scale numerical experiments to validate our theoretical findings.

Haoyu Wang, Jialin Liu, Xiaohan Chen et al.

Mixed-integer linear programming (MILP) stands as a notable NP-hard problem pivotal to numerous crucial industrial applications. The development of effective algorithms, the tuning of solvers, and the training of machine learning models for MILP resolution all hinge on access to extensive, diverse, and representative data. Yet compared to the abundant naturally occurring data in image and text realms, MILP is markedly data deficient, underscoring the vital role of synthetic MILP generation. We present DIG-MILP, a deep generative framework based on variational auto-encoder (VAE), adept at extracting deep-level structural features from highly limited MILP data and producing instances that closely mirror the target data. Notably, by leveraging the MILP duality, DIG-MILP guarantees a correct and complete generation space as well as ensures the boundedness and feasibility of the generated instances. Our empirical study highlights the novelty and quality of the instances generated by DIG-MILP through two distinct downstream tasks: (S1) Data sharing, where solver solution times correlate highly positive between original and DIG-MILP-generated instances, allowing data sharing for solver tuning without publishing the original data; (S2) Data Augmentation, wherein the DIG-MILP-generated instances bolster the generalization performance of machine learning models tasked with resolving MILP problems.

Ruicheng Ao, David Simchi-Levi, Xinshang Wang

Supply chain optimization models frequently become infeasible because of modeling errors. Diagnosis and repair require scarce OR expertise: analysts must interpret solver diagnostics, trace root causes across echelons, and fix formulations without sacrificing operational soundness. Whether AI agents can perform this task remains untested. We decompose this task into two phases: a domain-agnostic feasibility phase that iteratively repairs any LP using IIS-guided diagnosis, and a domain-specific validation phase that enforces five rationality checks grounded in inventory theory. We test 22 API models from seven families on 976 multi-echelon supply chain problems and train two 8B-parameter models with self-taught reasoning and solver-verified rewards. The trained models reach 81.7% Rational Recovery Rate (RRR) -- the fraction of problems resolved to both feasibility and operational rationality -- versus 42.2% for the best API model and 21.3% on average. The gap concentrates in Phase 1 repair, where API models average 27.6% recovery rate versus 97.2% for trained models. Two gaps separate current AI from reliable model repair: solver interaction, as API models restore only 27.6% of infeasible formulations; and operational rationale, as roughly one in four feasible repairs violate supply chain theory. Each gap requires a different intervention -- targeted training closes the solver interaction gap, while explicit specification as solver-verifiable checks closes the rationality gap. For organizations adopting AI in operational planning, formalizing what 'rational' means in their context is the higher-return investment.

Zeping Min, Xinshang Wang

We introduce a novel index, the Distribution of Cosine Similarity (DOCS), for quantitatively assessing the similarity between weight matrices in Large Language Models (LLMs), aiming to facilitate the analysis of their complex architectures. Leveraging DOCS, our analysis uncovers intriguing patterns in the latest open-source LLMs: adjacent layers frequently exhibit high weight similarity and tend to form clusters, suggesting depth-wise functional specialization. Additionally, we prove that DOCS is theoretically effective in quantifying similarity for orthogonal matrices, a crucial aspect given the prevalence of orthogonal initializations in LLMs. This research contributes to a deeper understanding of LLM architecture and behavior, offering tools with potential implications for developing more efficient and interpretable models.

Ruicheng Ao, Gan Luo, David Simchi-Levi et al.

Large Language Models (LLMs) are indispensable in today's applications, but their inference procedure -- generating responses by processing text in segments and using a memory-heavy Key-Value (KV) cache -- demands significant computational resources, particularly under memory constraints. This paper formulates LLM inference optimization as a multi-stage online scheduling problem where sequential prompt arrivals and KV cache growth render conventional scheduling ineffective. We develop a fluid dynamics approximation to provide a tractable benchmark that guides algorithm design. Building on this, we propose the Waiting for Accumulated Inference Threshold (WAIT) algorithm, which uses multiple thresholds to schedule incoming prompts optimally when output lengths are known, and extend it to Nested WAIT for cases with unknown output lengths. Theoretical analysis shows that both algorithms achieve near-optimal performance against the fluid benchmark in heavy traffic conditions, balancing throughput, latency, and Time to First Token (TTFT). Experiments with the Llama-7B model on an A100 GPU using both synthetic and real-world datasets demonstrate improved throughput and reduced latency relative to established baselines like vLLM and Sarathi. This work bridges operations research and machine learning, offering a rigorous framework for the efficient deployment of LLMs under memory constraints.

Ziang Chen, Jialin Liu, Xiaohan Chen et al.

Graph neural networks (GNNs) have been widely used to predict properties and heuristics of mixed-integer linear programs (MILPs) and hence accelerate MILP solvers. This paper investigates the capacity of GNNs to represent strong branching (SB), the most effective yet computationally expensive heuristic employed in the branch-and-bound algorithm. In the literature, message-passing GNN (MP-GNN), as the simplest GNN structure, is frequently used as a fast approximation of SB and we find that not all MILPs's SB can be represented with MP-GNN. We precisely define a class of "MP-tractable" MILPs for which MP-GNNs can accurately approximate SB scores. Particularly, we establish a universal approximation theorem: for any data distribution over the MP-tractable class, there always exists an MP-GNN that can approximate the SB score with arbitrarily high accuracy and arbitrarily high probability, which lays a theoretical foundation of the existing works on imitating SB with MP-GNN. For MILPs without the MP-tractability, unfortunately, a similar result is impossible, which can be illustrated by two MILP instances with different SB scores that cannot be distinguished by any MP-GNN, regardless of the number of parameters. Recognizing this, we explore another GNN structure called the second-order folklore GNN (2-FGNN) that overcomes this limitation, and the aforementioned universal approximation theorem can be extended to the entire MILP space using 2-FGNN, regardless of the MP-tractability. A small-scale numerical experiment is conducted to directly validate our theoretical findings.

Ruicheng Ao, David Simchi-Levi, Xinshang Wang

Operations Research practitioners routinely debug infeasible models through an iterative process: analyzing Irreducible Infeasible Subsystems (\IIS{}), identifying constraint conflicts, and systematically repairing formulations until feasibility is achieved. Yet existing LLM benchmarks evaluate OR as one-shot translation -- given a problem description, generate solver code -- ignoring this diagnostic loop entirely. We introduce two benchmarks that place the \textbf{solver in the evaluation loop}. \textbf{\ORDebug{}} evaluates iterative self-correction through 5,000+ problems spanning 9 error types; each repair action triggers solver re-execution and \IIS{} recomputation, providing deterministic, verifiable feedback. \textbf{\ORBias{}} evaluates behavioral rationality through 2,000 newsvendor instances (1,000 ID + 1,000 OOD), measuring systematic deviations from closed-form optimal policies. Across 26 models and 12,000+ samples, we find that domain-specific RLVR training enables an 8B model to surpass frontier APIs: 95.3\% vs 86.2\% recovery rate (+9.1\%), 62.4\% vs 47.8\% diagnostic accuracy (+14.6\%), and 2.25 vs 3.78 steps to resolution (1.7$\times$ faster). On \ORBias{}, curriculum training achieves the only negative ID$\rightarrow$OOD bias drift among models evaluated (-9.6\%), reducing systematic bias by 48\% (from 20.0\% to 10.4\%). These results demonstrate that process-level evaluation with verifiable oracles enables targeted training that outperforms scale.

Ziang Chen, Xiaohan Chen, Jialin Liu et al.

Quadratic programming (QP) is the most widely applied category of problems in nonlinear programming. Many applications require real-time/fast solutions, though not necessarily with high precision. Existing methods either involve matrix decomposition or use the preconditioned conjugate gradient method. For relatively large instances, these methods cannot achieve the real-time requirement unless there is an effective preconditioner. Recently, graph neural networks (GNNs) opened new possibilities for QP. Some promising empirical studies of applying GNNs for QP tasks show that GNNs can capture key characteristics of an optimization instance and provide adaptive guidance accordingly to crucial configurations during the solving process, or directly provide an approximate solution. However, the theoretical understanding of GNNs in this context remains limited. Specifically, it is unclear what GNNs can and cannot achieve for QP tasks in theory. This work addresses this gap in the context of linearly constrained QP tasks. In the continuous setting, we prove that message-passing GNNs can universally represent fundamental properties of convex quadratic programs, including feasibility, optimal objective values, and optimal solutions. In the more challenging mixed-integer setting, while GNNs are not universal approximators, we identify a subclass of QP problems that GNNs can reliably represent.

Rong Jin, David Simchi-Levi, Li Wang et al.

The recent rising popularity of ultra-fast delivery services on retail platforms fuels the increasing use of urban warehouses, whose proximity to customers makes fast deliveries viable. The space limit in urban warehouses poses a problem for the online retailers: the number of products (SKUs) they carry is no longer "the more, the better", yet it can still be significantly large, reaching hundreds or thousands in a product category. In this paper, we study algorithms for dynamically identifying a large number of products (i.e., SKUs) with top customer purchase probabilities on the fly, from an ocean of potential products to offer on retailers' ultra-fast delivery platforms. We distill the product selection problem into a semi-bandit model with linear generalization. There are in total $N$ different arms, each with a feature vector of dimension $d$. The player pulls $K$ arms in each period and observes the bandit feedback from each of the pulled arms. We focus on the setting where $K$ is much greater than the number of total time periods $T$ or the dimension of product features $d$. We first analyze a standard UCB algorithm and show its regret bound can be expressed as the sum of a $T$-independent part $\tilde O(K d^{3/2})$ and a $T$-dependent part $\tilde O(d\sqrt{KT})$, which we refer to as "fixed cost" and "variable cost" respectively. To reduce the fixed cost for large $K$ values, we propose a novel online learning algorithm, which iteratively shrinks the upper confidence bounds within each period, and show its fixed cost is reduced by a factor of $d$ to $\tilde O(K \sqrt{d})$. Moreover, we test the algorithms on an industrial dataset from Alibaba Group. Experimental results show that our new algorithm reduces the total regret of the standard UCB algorithm by at least 10%.

Zeyuan Allen-Zhu, David Simchi-Levi, Xinshang Wang

Classically, the time complexity of a first-order method is estimated by its number of gradient computations. In this paper, we study a more refined complexity by taking into account the `lingering' of gradients: once a gradient is computed at $x_k$, the additional time to compute gradients at $x_{k+1},x_{k+2},\dots$ may be reduced. We show how this improves the running time of several first-order methods. For instance, if the `additional time' scales linearly with respect to the traveled distance, then the `convergence rate' of gradient descent can be improved from $1/T$ to $\exp(-T^{1/3})$. On the application side, we solve a hypothetical revenue management problem on the Yahoo! Front Page Today Module with 4.6m users to $10^{-6}$ error using only 6 passes of the dataset; and solve a real-life support vector machine problem to an accuracy that is two orders of magnitude better comparing to the state-of-the-art algorithm.

Wang Chi Cheung, Will Ma, David Simchi-Levi et al.

We study a general problem of allocating limited resources to heterogeneous customers over time under model uncertainty. Each type of customer can be serviced using different actions, each of which stochastically consumes some combination of resources, and returns different rewards for the resources consumed. We consider a general model where the resource consumption distribution associated with each (customer type, action)-combination is not known, but is consistent and can be learned over time. In addition, the sequence of customer types to arrive over time is arbitrary and completely unknown. We overcome both the challenges of model uncertainty and customer heterogeneity by judiciously synthesizing two algorithmic frameworks from the literature: inventory balancing, which "reserves" a portion of each resource for high-reward customer types which could later arrive, and online learning, which shows how to "explore" the resource consumption distributions of each customer type under different actions. We define an auxiliary problem, which allows for existing competitive ratio and regret bounds to be seamlessly integrated. Furthermore, we show that the performance guarantee generated by our framework is tight, that is, we provide an information-theoretic lower bound which shows that both the loss from competitive ratio and the loss for regret are relevant in the combined problem. Finally, we demonstrate the efficacy of our algorithms on a publicly available hotel data set. Our framework is highly practical in that it requires no historical data (no fitted customer choice models, nor forecasting of customer arrival patterns) and can be used to initialize allocation strategies in fast-changing environments.