Tian Ding

Jingyi Zhao, Linxin Yang, Haohua Zhang et al.

A major bottleneck in scenario-based Sample Average Approximation (SAA) for stochastic programming (SP) is the cost of solving an exact second-stage problem for every scenario, especially when each scenario contains an NP-hard combinatorial structure. This has led much of the SP literature to restrict the second stage to linear or simplified models. We develop a GPU-based framework that makes structured integer recourse operators tractable at scale. The key innovation is a set of hardware-aware, scenario-batched GPU kernels that expose parallelism across scenarios, dynamic-programming (DP) layers, and route or action options, enabling Bellman updates to be executed in a single pass over more than 1,000,000 realizations. We evaluate the approach in two representative SP settings: a vectorized split operator for stochastic vehicle routing and a DP for inventory reinsertion. Implementation scales nearly linearly in the number of scenarios and achieves a one-two to four-five orders of magnitude speedup, allowing far larger scenario sets and reliably stronger first-stage decisions. The computational leverage directly improves decision quality: much larger scenario sets and many more first-stage candidates can be evaluated within fixed time budgets, consistently yielding stronger SAA solutions. Our results show that structured integer recourse operators are tractable at scales previously considered impossible, providing a practical path to large-scale, realistic stochastic discrete optimization.

Zehua Zhao, Zhixian Huang, Junren Li et al.

Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address these issues, we introduce SUPERChem, a benchmark of 500 expert-curated reasoning-intensive chemistry problems, covering diverse subfields and provided in both multimodal and text-only formats. Original content and an iterative curation pipeline eliminate flawed items and mitigate data contamination. Each problem is paired with an expert-authored solution path, enabling Reasoning Path Fidelity (RPF) scoring to evaluate reasoning quality beyond final-answer accuracy. Evaluations against a human baseline of 40.3% accuracy show that even the best-performing model, GPT-5 (High), reaches only 38.5%, followed closely by Gemini 2.5 Pro (37.9%) and DeepSeek-V3.1-Think (37.3%). SUPERChem elicits multi-step, multimodal reasoning, reveals model-dependent effects of visual information, and distinguishes high-fidelity reasoners from heuristic ones. By providing a challenging benchmark and a reliable evaluation framework, SUPERChem aims to facilitate the advancement of LLMs toward expert-level chemical intelligence. The dataset of the benchmark is available at https://huggingface.co/datasets/ZehuaZhao/SUPERChem.

Chengpeng Li, Zhengyang Tang, Ziniu Li et al.

Large Reasoning Models (LRMs) like o1 and DeepSeek-R1 have shown remarkable progress in natural language reasoning with long chain-of-thought (CoT), yet they remain inefficient or inaccurate when handling complex mathematical operations. Addressing these limitations through computational tools (e.g., computation libraries and symbolic solvers) is promising, but it introduces a technical challenge: Code Interpreter (CI) brings external knowledge beyond the model's internal text representations, thus the direct combination is not efficient. This paper introduces CoRT, a post-training framework for teaching LRMs to leverage CI effectively and efficiently. As a first step, we address the data scarcity issue by synthesizing code-integrated reasoning data through Hint-Engineering, which strategically inserts different hints at appropriate positions to optimize LRM-CI interaction. We manually create 30 high-quality samples, upon which we post-train models ranging from 1.5B to 32B parameters, with supervised fine-tuning, rejection fine-tuning and reinforcement learning. Our experimental results demonstrate that Hint-Engineering models achieve 4\% and 8\% absolute improvements on DeepSeek-R1-Distill-Qwen-32B and DeepSeek-R1-Distill-Qwen-1.5B respectively, across five challenging mathematical reasoning datasets. Furthermore, Hint-Engineering models use about 30\% fewer tokens for the 32B model and 50\% fewer tokens for the 1.5B model compared with the natural language models. The models and code are available at https://github.com/ChengpengLi1003/CoRT.

Zhuohan Wang, Ziwei Zhu, Ziniu Li et al.

Formulating optimization problems for industrial applications demands significant manual effort and domain expertise. While Large Language Models (LLMs) show promise in automating this process, evaluating their performance remains difficult due to the absence of robust metrics. Existing solver-based approaches often face inconsistency, infeasibility issues, and high computational costs. To address these issues, we propose ORGEval, a graph-theoretic evaluation framework for assessing LLMs' capabilities in formulating linear and mixed-integer linear programs. ORGEval represents optimization models as graphs, reducing equivalence detection to graph isomorphism testing. We identify and prove a sufficient condition, when the tested graphs are symmetric decomposable (SD), under which the Weisfeiler-Lehman (WL) test is guaranteed to correctly detect isomorphism. Building on this, ORGEval integrates a tailored variant of the WL-test with an SD detection algorithm to evaluate model equivalence. By focusing on structural equivalence rather than instance-level configurations, ORGEval is robust to numerical variations. Experimental results show that our method can successfully detect model equivalence and produce 100\% consistent results across random parameter configurations, while significantly outperforming solver-based methods in runtime, especially on difficult problems. Leveraging ORGEval, we construct the Bench4Opt dataset and benchmark state-of-the-art LLMs on optimization modeling. Our results reveal that although optimization modeling remains challenging for all LLMs, DeepSeek-V3 and Claude-Opus-4 achieve the highest accuracies under direct prompting, outperforming even leading reasoning models.

Yushun Zhang, Congliang Chen, Tian Ding et al.

SGD performs worse than Adam by a significant margin on Transformers, but the reason remains unclear. In this work, we provide an explanation through the lens of Hessian: (i) Transformers are "heterogeneous": the Hessian spectrum across parameter blocks vary dramatically, a phenomenon we call "block heterogeneity"; (ii) Heterogeneity hampers SGD: SGD performs worse than Adam on problems with block heterogeneity. To validate (i) and (ii), we check various Transformers, CNNs, MLPs, and quadratic problems, and find that SGD can perform on par with Adam on problems without block heterogeneity, but performs worse than Adam when the heterogeneity exists. Our initial theoretical analysis indicates that SGD performs worse because it applies one single learning rate to all blocks, which cannot handle the heterogeneity among blocks. This limitation could be ameliorated if we use coordinate-wise learning rates, as designed in Adam.

Yushun Zhang, Congliang Chen, Ziniu Li et al.

We propose Adam-mini, an optimizer that achieves on par or better performance than AdamW with 50% less memory footprint. Adam-mini reduces memory by cutting down the learning rate resources in Adam (i.e., $1/\sqrt{v}$). By investigating the Hessian structure of neural nets, we find Adam's $v$ might not function at its full potential as effectively as we expected. We find that $\geq$ 99.9% of these learning rates in $v$ could be harmlessly removed if we (1) carefully partition the parameters into blocks following our new principle on Hessian structure; (2) assign a single but good learning rate to each parameter block. We then provide one simple way to find good learning rates and propose Adam-mini. Empirically, we verify that Adam-mini performs on par or better than AdamW on various language models sized from 39M to 13B for pre-training, supervised fine-tuning, and RLHF. The reduced memory footprint of Adam-mini also alleviates communication overheads among GPUs, thereby increasing throughput. For instance, Adam-mini achieves 49.6% higher throughput than AdamW when pre-training Llama 2-7B on $2\times$ A800-80GB GPUs, which saves 33% wall-clock time for pre-training.

Bingheng Li, Linxin Yang, Yupeng Chen et al.

Solving large-scale linear programming (LP) problems is an important task in various areas such as communication networks, power systems, finance and logistics. Recently, two distinct approaches have emerged to expedite LP solving: (i) First-order methods (FOMs); (ii) Learning to optimize (L2O). In this work, we propose an FOM-unrolled neural network (NN) called PDHG-Net, and propose a two-stage L2O method to solve large-scale LP problems. The new architecture PDHG-Net is designed by unrolling the recently emerged PDHG method into a neural network, combined with channel-expansion techniques borrowed from graph neural networks. We prove that the proposed PDHG-Net can recover PDHG algorithm, thus can approximate optimal solutions of LP instances with a polynomial number of neurons. We propose a two-stage inference approach: first use PDHG-Net to generate an approximate solution, and then apply PDHG algorithm to further improve the solution. Experiments show that our approach can significantly accelerate LP solving, achieving up to a 3$\times$ speedup compared to FOMs for large-scale LP problems.