GenAI4ELab/papercli-papers huggingface dataset:
Towards Graph Foundation Models: Training on Knowledge Graphs Enables Transferability to General Graphs
Authors: Kai Wang; Siqiang Luo; Caihua Shan; Yifei Shen
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Inspired by the success of large language models, there is a trend toward developing graph foundation models to conduct diverse downstream tasks in various domains. However, current models often require extra fine-tuning to apply their learned structural and semantic representations to new graphs, which limits their versatility. Recent breakthroughs in zero-shot inductive reasoning on knowledge graphs (KGs), offer us a new perspective on extending KG reasoning to general graph applications. In this paper, we introduce SCR, a unified graph reasoning framework designed to train on knowledge graphs and effectively generalize across a wide range of graph tasks and domains. We begin by designing the task-specific KG structures to establish a unified topology for different task formats. Then we propose semantic-conditioned message passing, a novel mechanism addressing the inherent semantic isolation in traditional KG reasoning, by jointly modeling structural and semantic invariance patterns in graph representations. Evaluated on 38 diverse datasets spanning node-, link-, and graph-level tasks, SCR achieves substantial performance gains over existing foundation models and supervised baselines, demonstrating its remarkable efficacy and adaptability.
CATransformers: Carbon Aware Transformers Through Joint Model-Hardware Optimization
Authors: Irene Wang; Mostafa Elhoushi; H Ekin Sumbul; Samuel Hsia; Daniel Jiang; Newsha Ardalani; Divya Mahajan; Carole-Jean Wu; Bilge Acun
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Machine learning solutions are rapidly adopted to enable a variety of key use cases, from conversational AI assistants to scientific discovery. As the adoption of machine learning models becomes increasingly prevalent, the associated lifecycle carbon footprint is expected to increase, including both *operational carbon* from training and inference and *embodied carbon* from AI hardware manufacturing. We introduce CATransformers, the first carbon-aware co-optimization framework for Transformer-based models and hardware accelerators. By integrating both operational and embodied carbon into early-stage design space exploration, CATransformers enables sustainability-driven model architecture and hardware accelerator co-design that reveals fundamentally different trade-offs than latency- or energy-centric approaches. Evaluated across a range of Transformer models, CATransformers consistently demonstrates the potential to reduce total carbon emissions --by up to 30\% -- while maintaining accuracy and latency. We further highlight its extensibility through a focused case study on multi-modal models. Our results emphasize the need for holistic optimization methods that prioritize carbon efficiency without compromising model capability and execution time performance. The source code of CATransformers is available at https://github.com/facebookresearch/CATransformers.
Long-Tailed Recognition via Information-Preservable Two-Stage Learning
Authors: Fudong Lin; Xu Yuan
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: The imbalance (or long-tail) is the nature of many real-world data distributions, which often induces the undesirable bias of deep classification models toward frequent classes, resulting in poor performance for tail classes. In this paper, we propose a novel two-stage learning approach to mitigate such a majority-biased tendency while preserving valuable information within datasets. Specifically, the first stage proposes a new representation learning technique from the information theory perspective. This approach is theoretically equivalent to minimizing intra-class distance, yielding an effective and well-separated feature space. The second stage develops a novel sampling strategy that selects mathematically informative instances, able to rectify majority-biased decision boundaries without compromising a model’s overall performance. As a result, our approach achieves the state-of-the-art performance across various long-tailed benchmark datasets, validated via extensive experiments. Our code is available at https://github.com/fudong03/BNS_IPDPP.
Single-Teacher View Augmentation: Boosting Knowledge Distillation via Angular Diversity
Authors: Seonghoon Yu; Dongjun Nam; Dina Katabi; Jeany Son
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Knowledge Distillation (KD) aims to train a lightweight student model by transferring knowledge from a large, high-capacity teacher.
Recent studies have shown that leveraging diverse teacher perspectives can significantly improve distillation performance; however, achieving such diversity typically requires multiple teacher networks, leading to high computational costs. In this work, we propose a novel cost-efficient  knowledge augmentation method for KD that generates diverse multi-views by attaching multiple branches to a single teacher. To ensure meaningful semantic variation across multi-views, we introduce two angular diversity objectives: 1) $\textit{constrained inter-angle diversify loss}$, which maximizes angles between augmented views while preserving proximity to the original teacher output, and 2) $\textit{intra-angle diversify loss}$, which encourages an even distribution of views around the original output. The ensembled knowledge from these angularly diverse views, along with the original teacher, is distilled into the student. We further theoretically demonstrate that our objectives increase the diversity among ensemble members and thereby reduce the upper bound of the ensemble's expected loss, leading to more effective distillation. Experimental results show that our method surpasses an existing knowledge augmentation method across diverse configurations. Moreover, the proposed method is compatible with other KD frameworks in a plug-and-play fashion, providing consistent improvements in generalization performance.
Mitra: Mixed Synthetic Priors for Enhancing Tabular Foundation Models
Authors: Xiyuan Zhang; Danielle C. Maddix; Junming Yin; Nick Erickson; Abdul Fatir Ansari; Boran Han; Shuai Zhang; Leman Akoglu; Christos Faloutsos; Michael W. Mahoney; Cuixiong Hu; Huzefa Rangwala; George Karypis; Bernie Wang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Since the seminal work of TabPFN, research on tabular foundation models (TFMs) based on in-context learning (ICL) has challenged long-standing paradigms in machine learning. Without seeing any real-world data, models pretrained on purely synthetic datasets generalize remarkably well across diverse datasets, often using only a moderate number of in-context examples. This shifts the focus in tabular machine learning from model architecture design to the design of synthetic datasets, or, more precisely, to the prior distributions that generate them. Yet the guiding principles for prior design remain poorly understood. This work marks the first attempt to address the gap. We systematically investigate and identify key properties of synthetic priors that allow pretrained TFMs to generalize well. Based on these insights, we introduce Mitra, a TFM trained on a curated mixture of synthetic priors selected for their diversity, distinctiveness, and performance on real-world tabular data. Mitra consistently outperforms state-of-the-art TFMs, such as TabPFNv2 and TabICL, across both classification and regression benchmarks, with better sample efficiency.
4DGCPro: Efficient Hierarchical 4D Gaussian Compression for Progressive Volumetric Video Streaming
Authors: Zihan Zheng; Zhenlong Wu; Houqiang Zhong; Yuan Tian; Ning Cao; Lan Xu; Jiangchao Yao; Xiaoyun Zhang; Qiang Hu; Wenjun Zhang
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Achieving seamless viewing of high-fidelity volumetric video, comparable to 2D video experiences, remains an open challenge. Existing volumetric video compression methods either lack the flexibility to adjust quality and bitrate within a single model for efficient streaming across diverse networks and devices, or struggle with real-time decoding and rendering on lightweight mobile platforms. To address these challenges, we introduce 4DGCPro, a novel hierarchical 4D Gaussian compression framework that facilitates real-time mobile decoding and high-quality rendering via progressive volumetric video streaming in a single bitstream. Specifically, we propose a perceptually-weighted and compression-friendly hierarchical 4D Gaussian representation with motion-aware adaptive grouping to reduce temporal redundancy, preserve coherence, and enable scalable multi-level detail streaming. Furthermore, we present an end-to-end entropy-optimized training scheme, which incorporates layer-wise rate-distortion (RD) supervision and attribute-specific entropy modeling for efficient bitstream generation. Extensive experiments show that 4DGCPro enables flexible quality and variable bitrate within a single model, achieving real-time decoding and rendering on mobile devices while outperforming existing methods in RD performance across multiple datasets.
A unified framework for establishing the universal approximation of transformer-type architectures
Authors: Jingpu Cheng; Ting Lin; Zuowei Shen; Qianxiao Li
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: We investigate the universal approximation property (UAP) of transformer-type architectures, providing a unified theoretical framework that extends prior results on residual networks to models incorporating attention mechanisms. Our work identifies token distinguishability as a fundamental requirement for UAP and introduces a general sufficient condition that applies to a broad class of architectures. Leveraging an analyticity assumption on the attention layer, we can significantly simplify the verification of this condition, providing a non-constructive approach in establishing UAP for such architectures. We demonstrate the applicability of our framework by proving UAP for transformers with various attention mechanisms, including kernel-based and sparse ones. The corollaries of our results either generalize prior works or establish UAP for architectures not previously covered. Furthermore, our framework offers a principled foundation for designing novel transformer architectures with inherent UAP guarantees, including those with specific functional symmetries. We propose examples to illustrate these insights.
Uncertainty-aware Preference Alignment for Diffusion Policies
Authors: Runqing Miao; Sheng Xu; Runyi Zhao; Wai Kin Victor Chan; Guiliang Liu
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Recent advancements in diffusion policies have demonstrated promising performance in decision-making tasks. To align these policies with human preferences, a common approach is incorporating Preference-based Reinforcement Learning (PbRL) into policy tuning. However, since preference data is practically collected from populations with different backgrounds, a key challenge lies in handling the inherent uncertainties in people's preferences during policy updates. To address this challenge, we propose the Diff-UAPA algorithm, designed for uncertainty-aware preference alignment in diffusion policies. Specifically, Diff-UAPA introduces a novel iterative preference alignment framework in which the diffusion policy adapts incrementally to preferences from different user groups. To accommodate this online learning paradigm, Diff-UAPA employs a maximum posterior objective, which aligns the diffusion policy with regret-based preferences under the guidance of an informative Beta prior. This approach enables direct optimization of the diffusion policy without specifying any reward functions, while effectively mitigating the influence of inconsistent preferences across different user groups. We conduct extensive experiments across both simulated and real-world robotics tasks, and diverse human preference configurations, demonstrating the robustness and reliability of Diff-UAPA in achieving effective preference alignment. The project page is available at https://github.com/mr20010112/Diff_UAPA.
Looking Beyond the Known: Towards a Data Discovery Guided Open-World Object Detection
Authors: Anay Majee; Amitesh Gangrade; Rishabh K Iyer
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Open-World Object Detection (OWOD) enriches traditional object detectors by enabling continual discovery and integration of unknown objects via human guidance. However, existing OWOD approaches frequently suffer from semantic confusion between known and unknown classes, alongside catastrophic forgetting, leading to diminished unknown recall and degraded known-class accuracy. 
To overcome these challenges, we propose **C**ombinato**r**ial **O**pen-**W**orld **D**etection (**CROWD**), a unified framework reformulating unknown object discovery and adaptation as an interwoven combinatorial (set-based) data-discovery (CROWD-Discover) and representation learning (CROWD-Learn) task. CROWD-Discover strategically mines unknown instances by maximizing Submodular Conditional Gain (SCG) functions, selecting representative examples distinctly dissimilar from known objects. Subsequently, CROWD-Learn employs novel combinatorial objectives that jointly disentangle known and unknown representations while maintaining discriminative coherence among known classes, thus mitigating confusion and forgetting. Extensive evaluations on OWOD benchmarks illustrate that CROWD achieves improvements of 2.83% and 2.05% in known-class accuracy on M-OWODB and S-OWODB, respectively, and nearly 2.4$\times$ unknown recall compared to leading baselines.
Mozart: Modularized and Efficient MoE Training on 3.5D Wafer-Scale Chiplet Architectures
Authors: Shuqing Luo; Ye Han; Pingzhi Li; Jiayin Qin; Jie Peng; Yang Katie Zhao; Yu Cao; Tianlong Chen
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Mixture-of-Experts (MoE) architecture offers enhanced efficiency for Large Language Models (LLMs) with modularized computation, yet its inherent sparsity poses significant hardware deployment challenges, including memory locality issues, communication overhead, and inefficient computing resource utilization. Inspired by the modular organization of the human brain, we propose $\texttt{Mozart}$, a novel algorithm-hardware co-design framework tailored for efficient training of MoE-based LLMs on 3.5D wafer-scale chiplet architectures. On the algorithm side, $\texttt{Mozart}$ exploits the inherent modularity of chiplets and introduces: 
($1$) an expert allocation strategy that enables efficient on-package all-to-all communication, and ($2$) a fine-grained scheduling mechanism that improves communication-computation overlap through streaming tokens and experts. On the architecture side, $\texttt{Mozart}$ adaptively co-locates heterogeneous modules on specialized chiplets with a 2.5D NoP-Tree topology and hierarchical memory structure.
Evaluation across three popular MoE models demonstrates significant efficiency gains, enabling more effective parallelization and resource utilization for large-scale modularized MoE-LLMs.
Neural Tangent Knowledge Distillation for Optical Convolutional Networks
Authors: Jinlin Xiang; Minho Choi; Yubo Zhang; Zhihao Zhou; Arka Majumdar; Eli Shlizerman
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Hybrid Optical Neural Networks (ONNs, typically consisting of an optical frontend and a digital backend) offer an energy-efficient alternative to fully digital deep networks for real-time, power-constrained systems. However, their adoption is limited by two main challenges: the accuracy gap compared to large-scale networks during training, and discrepancies between simulated and fabricated systems that further degrade accuracy. While previous work has proposed end-to-end optimizations for specific datasets (e.g., MNIST) and optical systems, these approaches typically lack generalization across tasks and hardware designs. To address these limitations, we propose a task-agnostic and hardware-agnostic pipeline that supports image classification and segmentation across diverse optical systems. To assist optical system design before training, we design the metasurface layout based on fabrication constraints. For training, we introduce Neural Tangent Knowledge Distillation (NTKD), which aligns optical models with electronic teacher networks, thereby narrowing the accuracy gap. After fabrication, NTKD also guides fine-tuning of the digital backend to compensate for implementation errors. Experiments on multiple datasets (e.g., MNIST, CIFAR, Carvana Masking) and hardware configurations show that our pipeline consistently improves ONN performance and enables practical deployment in both pre-fabrication simulations and physical implementations.
Fractional Langevin Dynamics for Combinatorial Optimization via Polynomial-Time Escape
Authors: Shiyue Wang; Ziao Guo; Changhong Lu; Junchi Yan
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Langevin Dynamics (LD) and its discrete proposal have been widely applied in the field of Combinatorial Optimization (CO). Both sampling-based and data-driven approaches have benefited significantly from these methods. However, LD's reliance on Gaussian noise limits its ability to escape narrow local optima, requires costly parallel chains, and performs poorly in rugged landscapes or with non-strict constraints. These challenges have impeded the development of more advanced approaches. To address these issues, we introduce Fractional Langevin Dynamics (FLD) for CO, replacing Gaussian noise with $\alpha$-stable L\'evy noise. FLD can escape from local optima more readily via L\'evy flights, and in multiple-peak CO problems with high potential barriers it exhibits a polynomial escape time that outperforms the exponential escape time of LD. Moreover, FLD coincides with LD when $\alpha = 2$, and by tuning $\alpha$ it can be adapted to a wider range of complex scenarios in the CO fields. We provide theoretical proof that our method offers enhanced exploration capabilities and improved convergence. Experimental results on the Maximum Independent Set, Maximum Clique, and Maximum Cut problems demonstrate that incorporating FLD advances both sampling-based and data-driven approaches, achieving state-of-the-art (SOTA) performance in most of the experiments.
Data Mixing Can Induce Phase Transitions in Knowledge Acquisition
Authors: Xinran Gu; Kaifeng Lyu; Jiazheng Li; Jingzhao Zhang
Venue: NeurIPS 2025 (NeurIPS 2025 spotlight)

Abstract: Large Language Models (LLMs) are typically trained on data mixtures: most data come from web scrapes, while a small portion is curated from high-quality sources with dense domain-specific knowledge.
In this paper, we show that when training LLMs on such data mixtures, knowledge acquisition from knowledge-dense datasets—unlike training exclusively on knowledge-dense data—does not always follow a smooth scaling law but can exhibit phase transitions with respect to the mixing ratio and model size. Through controlled experiments on a synthetic biography dataset mixed with web-scraped data, we demonstrate that: (1) as we increase the model size to a critical value, the model suddenly transitions from memorizing very few to most of the biographies; (2) below a critical mixing ratio, the model memorizes almost nothing even with extensive training, but beyond this threshold, it rapidly memorizes more biographies. We attribute these phase transitions to a capacity allocation phenomenon: a model with bounded capacity must act like a knapsack problem solver to minimize the overall test loss, and the optimal allocation across datasets can change discontinuously as the model size or mixing ratio varies. We formalize this intuition in an information-theoretic framework and reveal that these phase transitions are predictable, with the critical mixing ratio following a power-law relationship with the model size. Our findings highlight a concrete case where a good mixing recipe for large models may not be optimal for small models, and vice versa.
F-Adapter: Frequency-Adaptive Parameter-Efficient Fine-Tuning in Scientific Machine Learning
Authors: Hangwei Zhang; KangChun; Yan Wang; Difan Zou
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Parameter-efficient fine-tuning (PEFT) powerful pre-trained models for complex downstream tasks has proven effective in vision and language processing, yet this paradigm remains unexplored in scientific machine learning, where the objective is to model complex physical systems. We conduct the first systematic study of PEFT for pre-trained Large Operator Models (LOMs) obtained by scaling variants of Fourier Neural Operator. We observe that the widely used Low-Rank Adaptation (LoRA) yields markedly poorer performance on LOMs than Adapter tuning.  We further theoretically establish that stacked LoRA incurs a depth-amplified lower bound on approximation error within Fourier layers, whereas adapters retain universal approximation capacity and, by concentrating parameters on energy-dominant low-frequency modes, attain exponentially decaying error with bottleneck width in the Fourier domain. Motivated by the robust empirical gains of adapters and by our theoretical characterization of PDE solutions as spectrally sparse, we introduce Frequency-Adaptive Adapter (F-Adapter). F-Adapter allocates adapter capacity based on spectral complexity, assigning higher-dimension modules to low-frequency components and lower-dimension modules to high-frequency components. Our F-Adapters establish state-of-the-art results on multiple challenging 3D Navier–Stokes benchmarks, markedly enhancing both generalization and spectral fidelity over LoRA and other PEFT techniques commonly used in LLMs. To the best of our knowledge, this work is the first to explore PEFT for scientific machine-learning and establishes F-Adapter as an effective paradigm for this domain. The code will be made publicly available upon acceptance.
Accelerating Block Coordinate Descent for LLM Finetuning via Landscape Expansion
Authors: Qijun Luo; Yifei Shen; Liangzu Peng; Dongsheng Li; Xiao Li
Venue: NeurIPS 2025 (NeurIPS 2025 poster)

Abstract: Finetuning large language models (LLMs) is a resource-intensive task for researchers in academia, with memory constraints posing a key bottleneck. A classic optimization method, block coordinate descent (BCD), significantly reduces memory cost by segmenting the trainable parameters into multiple blocks and optimizing one active block at a time while freezing the others. However, we identify that blindly applying BCD to train LLMs can be inefficient for two reasons. First, optimizing only the active block requires backpropagating through multiple deeper yet inactive blocks, resulting in wasteful computations. Second, the frozen blocks, when they are not quite close to optimality, can narrow the optimization landscape, potentially misguiding the training of the active block. To address these issues simultaneously, we propose integrating BCD with *landscape expansion*, which unfreezes the inactive blocks and updates them in a cost-efficient manner during the same backpropagation as the update to the active block. Experiments on 8B and 70B models demonstrate that our proposed method surpasses memory-efficient baselines and matches Adam's downstream performance while requiring only 24 GB of memory for the 8B model and 300 GB for the 70B model.