Shengyu Feng

Shengyu Feng, Tarun Suresh, Yiming Yang

Diffusion-based neural solvers have shown strong promise for combinatorial optimization (CO), but existing methods typically rely on supervised training with large collections of near-optimal solutions. In this work, we extend adjoint-based trajectory optimization methods to discrete combinatorial domains. We formulate diffusion-based CO as a stochastic control problem over Continuous-Time Markov Chains and introduce discrete adjoint dynamics for propagating optimization signals through discrete generative trajectories. Building on this formulation, we propose Combinatorial Adjoint Matching (CAM), an unsupervised training framework for discrete diffusion solvers with structured and low-variance trajectory-level optimization signals. Empirically, CAM consistently outperforms existing unsupervised diffusion baselines and achieves performance competitive with strong supervised diffusion solvers and even traditional solvers across diverse combinatorial optimization problems. Our code is available at https://github.com/Shengyu-Feng/CAM.

Shengyu Feng, Baoyu Jing, Yada Zhu et al.

Contrastive learning is an effective unsupervised method in graph representation learning, and the key component of contrastive learning lies in the construction of positive and negative samples. Previous methods usually utilize the proximity of nodes in the graph as the principle. Recently, the data-augmentation-based contrastive learning method has advanced to show great power in the visual domain, and some works extended this method from images to graphs. However, unlike the data augmentation on images, the data augmentation on graphs is far less intuitive and much harder to provide high-quality contrastive samples, which leaves much space for improvement. In this work, by introducing an adversarial graph view for data augmentation, we propose a simple but effective method, Adversarial Graph Contrastive Learning (ARIEL), to extract informative contrastive samples within reasonable constraints. We develop a new technique called information regularization for stable training and use subgraph sampling for scalability. We generalize our method from node-level contrastive learning to the graph level by treating each graph instance as a super-node. ARIEL consistently outperforms the current graph contrastive learning methods for both node-level and graph-level classification tasks on real-world datasets. We further demonstrate that ARIEL is more robust in the face of adversarial attacks.

Shengyu Feng, Hanghang Tong

The advances in deep learning have enabled machine learning methods to outperform human beings in various areas, but it remains a great challenge for a well-trained model to quickly adapt to a new task. One promising solution to realize this goal is through meta-learning, also known as learning to learn, which has achieved promising results in few-shot learning. However, current approaches are still enormously different from human beings' learning process, especially in the ability to extract structural and transferable knowledge. This drawback makes current meta-learning frameworks non-interpretable and hard to extend to more complex tasks. We tackle this problem by introducing concept discovery to the few-shot learning problem, where we achieve more effective adaptation by meta-learning the structure among the data features, leading to a composite representation of the data. Our proposed method Concept-Based Model-Agnostic Meta-Learning (COMAML) has been shown to achieve consistent improvements in the structured data for both synthesized datasets and real-world datasets.

Yun He, Wenzhe Li, Hejia Zhang et al.

Recent progress in large language models (LLMs) has led to impressive performance on a range of tasks, yet advanced instruction following (IF)-especially for complex, multi-turn, and system-prompted instructions-remains a significant challenge. Rigorous evaluation and effective training for such capabilities are hindered by the lack of high-quality, human-annotated benchmarks and reliable, interpretable reward signals. In this work, we introduce AdvancedIF (we will release this benchmark soon), a comprehensive benchmark featuring over 1,600 prompts and expert-curated rubrics that assess LLMs ability to follow complex, multi-turn, and system-level instructions. We further propose RIFL (Rubric-based Instruction-Following Learning), a novel post-training pipeline that leverages rubric generation, a finetuned rubric verifier, and reward shaping to enable effective reinforcement learning for instruction following. Extensive experiments demonstrate that RIFL substantially improves the instruction-following abilities of LLMs, achieving a 6.7% absolute gain on AdvancedIF and strong results on public benchmarks. Our ablation studies confirm the effectiveness of each component in RIFL. This work establishes rubrics as a powerful tool for both training and evaluating advanced IF in LLMs, paving the way for more capable and reliable AI systems.

Weiwei Sun, Shengyu Feng, Shanda Li et al.

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems -- a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agentic frameworks against established human-designed algorithms, revealing the strengths and limitations of existing LLM agents and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

Shengyu Feng, Weiwei Sun, Shanda Li et al.

Machine learning (ML) has demonstrated considerable potential in supporting model design and optimization for combinatorial optimization (CO) problems. However, much of the progress to date has been evaluated on small-scale, synthetic datasets, raising concerns about the practical effectiveness of ML-based solvers in real-world, large-scale CO scenarios. Additionally, many existing CO benchmarks lack sufficient training data, limiting their utility for evaluating data-driven approaches. To address these limitations, we introduce FrontierCO, a comprehensive benchmark that covers eight canonical CO problem types and evaluates 16 representative ML-based solvers--including graph neural networks and large language model (LLM) agents. FrontierCO features challenging instances drawn from industrial applications and frontier CO research, offering both realistic problem difficulty and abundant training data. Our empirical results provide critical insights into the strengths and limitations of current ML methods, helping to guide more robust and practically relevant advances at the intersection of machine learning and combinatorial optimization. Our data is available at https://huggingface.co/datasets/CO-Bench/FrontierCO.

Shengyu Feng, Yiming Yang

This work proposes a simple yet effective sampling framework for combinatorial optimization (CO). Our method builds on discrete Langevin dynamics (LD), an efficient gradient-guided generative paradigm. However, we observe that directly applying LD often leads to limited exploration. To overcome this limitation, we propose the Regularized Langevin Dynamics (RLD), which enforces an expected distance between the sampled and current solutions, effectively avoiding local minima. We develop two CO solvers on top of RLD, one based on simulated annealing (SA), and the other one based on neural network (NN). Empirical results on three classic CO problems demonstrate that both of our methods can achieve comparable or better performance against the previous state-of-the-art (SOTA) SA- and NN-based solvers. In particular, our SA algorithm reduces the runtime of the previous SOTA SA method by up to 80\%, while achieving equal or superior performance. In summary, RLD offers a promising framework for enhancing both traditional heuristics and NN models to solve CO problems. Our code is available at https://github.com/Shengyu-Feng/RLD4CO.

Shengyu Feng, Baoyu Jing, Yada Zhu et al.

Contrastive learning is an effective unsupervised method in graph representation learning. Recently, the data augmentation based contrastive learning method has been extended from images to graphs. However, most prior works are directly adapted from the models designed for images. Unlike the data augmentation on images, the data augmentation on graphs is far less intuitive and much harder to provide high-quality contrastive samples, which are the key to the performance of contrastive learning models. This leaves much space for improvement over the existing graph contrastive learning frameworks. In this work, by introducing an adversarial graph view and an information regularizer, we propose a simple but effective method, Adversarial Graph Contrastive Learning (ARIEL), to extract informative contrastive samples within a reasonable constraint. It consistently outperforms the current graph contrastive learning methods in the node classification task over various real-world datasets and further improves the robustness of graph contrastive learning. The code is at https://github.com/Shengyu-Feng/ARIEL.

Shengyu Feng, Subarna Tripathi, Hesham Mostafa et al.

Dynamic scene graph generation from a video is challenging due to the temporal dynamics of the scene and the inherent temporal fluctuations of predictions. We hypothesize that capturing long-term temporal dependencies is the key to effective generation of dynamic scene graphs. We propose to learn the long-term dependencies in a video by capturing the object-level consistency and inter-object relationship dynamics over object-level long-term tracklets using transformers. Experimental results demonstrate that our Dynamic Scene Graph Detection Transformer (DSG-DETR) outperforms state-of-the-art methods by a significant margin on the benchmark dataset Action Genome. Our ablation studies validate the effectiveness of each component of the proposed approach. The source code is available at https://github.com/Shengyu-Feng/DSG-DETR.

Ozgur O. Kilic, David K. Park, Yihui Ren et al.

Large-scale scientific collaborations like ATLAS, Belle II, CMS, DUNE, and others involve hundreds of research institutes and thousands of researchers spread across the globe. These experiments generate petabytes of data, with volumes soon expected to reach exabytes. Consequently, there is a growing need for computation, including structured data processing from raw data to consumer-ready derived data, extensive Monte Carlo simulation campaigns, and a wide range of end-user analysis. To manage these computational and storage demands, centralized workflow and data management systems are implemented. However, decisions regarding data placement and payload allocation are often made disjointly and via heuristic means. A significant obstacle in adopting more effective heuristic or AI-driven solutions is the absence of a quick and reliable introspective dynamic model to evaluate and refine alternative approaches. In this study, we aim to develop such an interactive system using real-world data. By examining job execution records from the PanDA workflow management system, we have pinpointed key performance indicators such as queuing time, error rate, and the extent of remote data access. The dataset includes five months of activity. Additionally, we are creating a generative AI model to simulate time series of payloads, which incorporate visible features like category, event count, and submitting group, as well as hidden features like the total computational load-derived from existing PanDA records and computing site capabilities. These hidden features, which are not visible to job allocators, whether heuristic or AI-driven, influence factors such as queuing times and data movement.

Shengyu Feng, Yiming Yang

Mixed Integer Linear Program (MILP) solvers are mostly built upon a Branch-and-Bound (B\&B) algorithm, where the efficiency of traditional solvers heavily depends on hand-crafted heuristics for branching. The past few years have witnessed the increasing popularity of data-driven approaches to automatically learn these heuristics. However, the success of these methods is highly dependent on the availability of high-quality demonstrations, which requires either the development of near-optimal heuristics or a time-consuming sampling process. This paper averts this challenge by proposing Suboptimal-Demonstration-Guided Reinforcement Learning (SORREL) for learning to branch. SORREL selectively learns from suboptimal demonstrations based on value estimation. It utilizes suboptimal demonstrations through both offline reinforcement learning on the demonstrations generated by suboptimal heuristics and self-imitation learning on past good experiences sampled by itself. Our experiments demonstrate its advanced performance in both branching quality and training efficiency over previous methods for various MILPs.

Shengyu Feng, Yun He, Shuang Ma et al.

Reinforcement learning (RL) has recently proven effective at scaling chain-of-thought (CoT) reasoning in large language models on tasks with verifiable answers. However, extending RL to more general non-verifiable tasks, typically in the format of human preference pairs, remains both challenging and underexplored. In this work, we propose Dual-Weighted Reinforcement Learning (DWRL), a new framework for preference modeling that integrates CoT reasoning with the Bradley-Terry (BT) model via a dual-weighted RL objective that preserves preference-modeling inductive bias. DWRL approximates the maximum-likelihood objective of the BT model with two complementary weights: an instance-wise misalignment weight, which emphasizes under-trained pairs misaligned with human preference, and a group-wise (self-normalized) conditional preference score, which promotes promising thoughts. In this paper, we apply DWRL to preference modeling by training generative preference models (GPMs) to first generate a thought and then predict the human preference score. Across multiple benchmarks and model scales (Llama3 and Qwen2.5), DWRL consistently outperforms both GPM baselines and scalar models, while producing coherent, interpretable thoughts. In summary, our results position DWRL as a general framework for reasoning-enhanced preference learning beyond verifiable tasks.

Tasnuva Chowdhury, Tadashi Maeno, Fatih Furkan Akman et al.

The collaborative efforts of large communities in science experiments, often comprising thousands of global members, reflect a monumental commitment to exploration and discovery. Recently, advanced and complex data processing has gained increasing importance in science experiments. Data processing workflows typically consist of multiple intricate steps, and the precise specification of resource requirements is crucial for each step to allocate optimal resources for effective processing. Estimating resource requirements in advance is challenging due to a wide range of analysis scenarios, varying skill levels among community members, and the continuously increasing spectrum of computing options. One practical approach to mitigate these challenges involves initially processing a subset of each step to measure precise resource utilization from actual processing profiles before completing the entire step. While this two-staged approach enables processing on optimal resources for most of the workflow, it has drawbacks such as initial inaccuracies leading to potential failures and suboptimal resource usage, along with overhead from waiting for initial processing completion, which is critical for fast-turnaround analyses. In this context, our study introduces a novel pipeline of machine learning models within a comprehensive workflow management system, the Production and Distributed Analysis (PanDA) system. These models employ advanced machine learning techniques to predict key resource requirements, overcoming challenges posed by limited upfront knowledge of characteristics at each step. Accurate forecasts of resource requirements enable informed and proactive decision-making in workflow management, enhancing the efficiency of handling diverse, complex workflows across heterogeneous resources.

Shengyu Feng, Zhiqing Sun, Yiming Yang · cmu

Large Neighborhood Search (LNS) is a common heuristic in combinatorial optimization that iteratively searches over a large neighborhood of the current solution for a better one. Recently, neural network-based LNS solvers have achieved great success in solving Integer Linear Programs (ILPs) by learning to greedily predict the locally optimal solution for the next neighborhood proposal. However, this greedy approach raises two key concerns: (1) to what extent this greedy proposal suffers from local optima, and (2) how can we effectively improve its sample efficiency in the long run. To address these questions, this paper first formulates LNS as a stochastic process, and then introduces SPL-LNS, a sampling-enhanced neural LNS solver that leverages locally-informed proposals to escape local optima. We also develop a novel hindsight relabeling method to efficiently train SPL-LNS on self-generated data. Experimental results demonstrate that SPL-LNS substantially surpasses prior neural LNS solvers for various ILP problems of different sizes.

Baoyu Jing, Shengyu Feng, Yuejia Xiang et al.

Graphs are powerful representations for relations among objects, which have attracted plenty of attention. A fundamental challenge for graph learning is how to train an effective Graph Neural Network (GNN) encoder without labels, which are expensive and time consuming to obtain. Contrastive Learning (CL) is one of the most popular paradigms to address this challenge, which trains GNNs by discriminating positive and negative node pairs. Despite the success of recent CL methods, there are still two under-explored problems. First, how to reduce the semantic error introduced by random topology based data augmentations. Traditional CL defines positive and negative node pairs via the node-level topological proximity, which is solely based on the graph topology regardless of the semantic information of node attributes, and thus some semantically similar nodes could be wrongly treated as negative pairs. Second, how to effectively model the multiplexity of the real-world graphs, where nodes are connected by various relations and each relation could form a homogeneous graph layer. To solve these problems, we propose a novel multiplex heterogeneous graph prototypical contrastive leaning (X-GOAL) framework to extract node embeddings. X-GOAL is comprised of two components: the GOAL framework, which learns node embeddings for each homogeneous graph layer, and an alignment regularization, which jointly models different layers by aligning layer-specific node embeddings. Specifically, the GOAL framework captures the node-level information by a succinct graph transformation technique, and captures the cluster-level information by pulling nodes within the same semantic cluster closer in the embedding space. The alignment regularization aligns embeddings across layers at both node and cluster levels. We evaluate X-GOAL on various real-world datasets and downstream tasks to demonstrate its effectiveness.

Yijie Guo, Jongwook Choi, Marcin Moczulski et al.

Reinforcement learning with sparse rewards is challenging because an agent can rarely obtain non-zero rewards and hence, gradient-based optimization of parameterized policies can be incremental and slow. Recent work demonstrated that using a memory buffer of previous successful trajectories can result in more effective policies. However, existing methods may overly exploit past successful experiences, which can encourage the agent to adopt sub-optimal and myopic behaviors. In this work, instead of focusing on good experiences with limited diversity, we propose to learn a trajectory-conditioned policy to follow and expand diverse past trajectories from a memory buffer. Our method allows the agent to reach diverse regions in the state space and improve upon the past trajectories to reach new states. We empirically show that our approach significantly outperforms count-based exploration methods (parametric approach) and self-imitation learning (parametric approach with non-parametric memory) on various complex tasks with local optima. In particular, without using expert demonstrations or resetting to arbitrary states, we achieve the state-of-the-art scores under five billion number of frames, on challenging Atari games such as Montezuma's Revenge and Pitfall.