pwc-archive/papers-with-abstracts huggingface dataset:
NQKV: A KV Cache Quantization Scheme Based on Normal Distribution Characteristics
Authors: Zhihang Cai, Xingjun Zhang, Zhendong Tan, Zheng Wei
Date: 2025-05-22 00:00:00
Tasks: Quantization

Large Language Models (LLMs) have demonstrated remarkable proficiency across a wide range of tasks. However, LLMs often require larger batch sizes to enhance throughput or longer context lengths to meet task demands, which significantly increases the memory resource consumption of the Key-Value (KV) cache during inference, becoming a major bottleneck in LLM deployment. To address this issue, quantization is a common and straightforward approach. Currently, quantization methods for activations are limited to 8-bit, and quantization to even lower bits can lead to substantial accuracy drops. To further save space by quantizing the KV cache to even lower bits, we analyzed the element distribution of the KV cache and designed the NQKV algorithm. Since the elements within each block of the KV cache follow a normal distribution, NQKV employs per-block quantile quantization to achieve information-theoretically optimal quantization error. Without significantly compromising model output quality, NQKV enables the OPT model to perform inference with an 2x larger batch size or a 4x longer context length, and it improves throughput by 9.3x compared to when the KV cache is not used.
Reward-Aware Proto-Representations in Reinforcement Learning
Authors: Hon Tik Tse, Siddarth Chandrasekar, Marlos C. Machado
Date: 2025-05-22 00:00:00
Tasks: reinforcement-learning, Reinforcement Learning, Reinforcement Learning (RL), Transfer Learning

In recent years, the successor representation (SR) has attracted increasing attention in reinforcement learning (RL), and it has been used to address some of its key challenges, such as exploration, credit assignment, and generalization. The SR can be seen as representing the underlying credit assignment structure of the environment by implicitly encoding its induced transition dynamics. However, the SR is reward-agnostic. In this paper, we discuss a similar representation that also takes into account the reward dynamics of the problem. We study the default representation (DR), a recently proposed representation with limited theoretical (and empirical) analysis. Here, we lay some of the theoretical foundation underlying the DR in the tabular case by (1) deriving dynamic programming and (2) temporal-difference methods to learn the DR, (3) characterizing the basis for the vector space of the DR, and (4) formally extending the DR to the function approximation case through default features. Empirically, we analyze the benefits of the DR in many of the settings in which the SR has been applied, including (1) reward shaping, (2) option discovery, (3) exploration, and (4) transfer learning. Our results show that, compared to the SR, the DR gives rise to qualitatively different, reward-aware behaviour and quantitatively better performance in several settings.
Realistic Evaluation of TabPFN v2 in Open Environments
Authors: Zi-Jian Cheng, Zi-Yi Jia, Zhi Zhou, Yu-Feng Li, Lan-Zhe Guo
Date: 2025-05-22 00:00:00

Tabular data, owing to its ubiquitous presence in real-world domains, has garnered significant attention in machine learning research. While tree-based models have long dominated tabular machine learning tasks, the recently proposed deep learning model TabPFN v2 has emerged, demonstrating unparalleled performance and scalability potential. Although extensive research has been conducted on TabPFN v2 to further improve performance, the majority of this research remains confined to closed environments, neglecting the challenges that frequently arise in open environments. This raises the question: Can TabPFN v2 maintain good performance in open environments? To this end, we conduct the first comprehensive evaluation of TabPFN v2's adaptability in open environments. We construct a unified evaluation framework covering various real-world challenges and assess the robustness of TabPFN v2 under open environments scenarios using this framework. Empirical results demonstrate that TabPFN v2 shows significant limitations in open environments but is suitable for small-scale, covariate-shifted, and class-balanced tasks. Tree-based models remain the optimal choice for general tabular tasks in open environments. To facilitate future research on open environments challenges, we advocate for open environments tabular benchmarks, multi-metric evaluation, and universal modules to strengthen model robustness. We publicly release our evaluation framework at https://anonymous.4open.science/r/tabpfn-ood-4E65.
Graph Neural Network-Based Collaborative Perception for Adaptive Scheduling in Distributed Systems
Authors: Wenxuan Zhu, Qiyuan Wu, Tengda Tang, Renzi Meng, Sheng Chai, Xuehui Quan
Date: 2025-05-22 00:00:00
Tasks: Graph Neural Network, Scheduling

This paper addresses the limitations of multi-node perception and delayed scheduling response in distributed systems by proposing a GNN-based multi-node collaborative perception mechanism. The system is modeled as a graph structure. Message-passing and state-update modules are introduced. A multi-layer graph neural network is constructed to enable efficient information aggregation and dynamic state inference among nodes. In addition, a perception representation method is designed by fusing local states with global features. This improves each node's ability to perceive the overall system status. The proposed method is evaluated within a customized experimental framework. A dataset featuring heterogeneous task loads and dynamic communication topologies is used. Performance is measured in terms of task completion rate, average latency, load balancing, and transmission efficiency. Experimental results show that the proposed method outperforms mainstream algorithms under various conditions, including limited bandwidth and dynamic structural changes. It demonstrates superior perception capabilities and cooperative scheduling performance. The model achieves rapid convergence and efficient responses to complex system states.
Small-to-Large Generalization: Data Influences Models Consistently Across Scale
Authors: Alaa Khaddaj, Logan Engstrom, Aleksander Madry
Date: 2025-05-22 00:00:00
Tasks: Language Modeling, Language Modelling

Choice of training data distribution greatly influences model behavior. Yet, in large-scale settings, precisely characterizing how changes in training data affects predictions is often difficult due to model training costs. Current practice is to instead extrapolate from scaled down, inexpensive-to-train proxy models. However, changes in data do not influence smaller and larger models identically. Therefore, understanding how choice of data affects large-scale models raises the question: how does training data distribution influence model behavior across compute scale? We find that small- and large-scale language model predictions (generally) do highly correlate across choice of training data. Equipped with these findings, we characterize how proxy scale affects effectiveness in two downstream proxy model applications: data attribution and dataset selection.
Think-RM: Enabling Long-Horizon Reasoning in Generative Reward Models
Authors: Ilgee Hong, Changlong Yu, Liang Qiu, Weixiang Yan, Zhenghao Xu, Haoming Jiang, Qingru Zhang, Qin Lu, Xin Liu, Chao Zhang, Tuo Zhao
Date: 2025-05-22 00:00:00
Tasks: Reinforcement Learning (RL)

Reinforcement learning from human feedback (RLHF) has become a powerful post-training paradigm for aligning large language models with human preferences. A core challenge in RLHF is constructing accurate reward signals, where the conventional Bradley-Terry reward models (BT RMs) often suffer from sensitivity to data size and coverage, as well as vulnerability to reward hacking. Generative reward models (GenRMs) offer a more robust alternative by generating chain-of-thought (CoT) rationales followed by a final reward. However, existing GenRMs rely on shallow, vertically scaled reasoning, limiting their capacity to handle nuanced or complex (e.g., reasoning-intensive) tasks. Moreover, their pairwise preference outputs are incompatible with standard RLHF algorithms that require pointwise reward signals. In this work, we introduce Think-RM, a training framework that enables long-horizon reasoning in GenRMs by modeling an internal thinking process. Rather than producing structured, externally provided rationales, Think-RM generates flexible, self-guided reasoning traces that support advanced capabilities such as self-reflection, hypothetical reasoning, and divergent reasoning. To elicit these reasoning abilities, we first warm-up the models by supervised fine-tuning (SFT) over long CoT data. We then further improve the model's long-horizon abilities by rule-based reinforcement learning (RL). In addition, we propose a novel pairwise RLHF pipeline that directly optimizes policies using pairwise preference rewards, eliminating the need for pointwise reward conversion and enabling more effective use of Think-RM outputs. Experiments show that Think-RM achieves state-of-the-art results on RM-Bench, outperforming both BT RM and vertically scaled GenRM by 8%. When combined with our pairwise RLHF pipeline, it demonstrates superior end-policy performance compared to traditional approaches.
Only Large Weights (And Not Skip Connections) Can Prevent the Perils of Rank Collapse
Authors: Josh Alman, Zhao Song
Date: 2025-05-22 00:00:00

Attention mechanisms lie at the heart of modern large language models (LLMs). Straightforward algorithms for forward and backward (gradient) computation take quadratic time, and a line of work initiated by [Alman and Song NeurIPS 2023] and [Alman and Song NeurIPS 2024] has shown that quadratic time is necessary unless the model weights are small, in which case almost linear time algorithms are possible. In this paper, we show that large weights are necessary to avoid a strong preclusion to representational strength we call layer collapse, which means that the entire network can be approximated well by a network with only a single layer. Thus, the quadratic running time of attention is unavoidable for expressive transformers. The notion of layer collapse that we introduce is a variant on the notion of rank collapse from the work of [Dong, Cordonnier, and Loukas ICML 2021]. They showed that in Self Attention Networks with small weights and with skip connections, rank collapse must occur. This is typically interpreted as justifying the necessity of skip connections in expressive networks. However, our result shows that even with skip connections, if the weights are small, then layer collapse still occurs. Thus, only large weights, and not skip connections, can prevent these representational weaknesses.
CAIFormer: A Causal Informed Transformer for Multivariate Time Series Forecasting
Authors: Xingyu Zhang, Wenwen Qiang, Siyu Zhao, Huijie Guo, Jiangmeng Li, Chuxiong Sun, Changwen Zheng
Date: 2025-05-22 00:00:00
Tasks: All, Multivariate Time Series Forecasting, Prediction, Time Series, Time Series Forecasting

Most existing multivariate time series forecasting methods adopt an all-to-all paradigm that feeds all variable histories into a unified model to predict their future values without distinguishing their individual roles. However, this undifferentiated paradigm makes it difficult to identify variable-specific causal influences and often entangles causally relevant information with spurious correlations. To address this limitation, we propose an all-to-one forecasting paradigm that predicts each target variable separately. Specifically, we first construct a Structural Causal Model from observational data and then, for each target variable, we partition the historical sequence into four sub-segments according to the inferred causal structure: endogenous, direct causal, collider causal, and spurious correlation. The prediction relies solely on the first three causally relevant sub-segments, while the spurious correlation sub-segment is excluded. Furthermore, we propose Causal Informed Transformer (CAIFormer), a novel forecasting model comprising three components: Endogenous Sub-segment Prediction Block, Direct Causal Sub-segment Prediction Block, and Collider Causal Sub-segment Prediction Block, which process the endogenous, direct causal, and collider causal sub-segments, respectively. Their outputs are then combined to produce the final prediction. Extensive experiments on multiple benchmark datasets demonstrate the effectiveness of the CAIFormer.
FreshRetailNet-50K: A Stockout-Annotated Censored Demand Dataset for Latent Demand Recovery and Forecasting in Fresh Retail
Authors: Yangyang Wang, Jiawei Gu, Li Long, Xin Li, Li Shen, Zhouyu Fu, Xiangjun Zhou, Xu Jiang
Date: 2025-05-22 00:00:00
Tasks: Demand Forecasting, Imputation

Accurate demand estimation is critical for the retail business in guiding the inventory and pricing policies of perishable products. However, it faces fundamental challenges from censored sales data during stockouts, where unobserved demand creates systemic policy biases. Existing datasets lack the temporal resolution and annotations needed to address this censoring effect. To fill this gap, we present FreshRetailNet-50K, the first large-scale benchmark for censored demand estimation. It comprises 50,000 store-product time series of detailed hourly sales data from 898 stores in 18 major cities, encompassing 863 perishable SKUs meticulously annotated for stockout events. The hourly stock status records unique to this dataset, combined with rich contextual covariates, including promotional discounts, precipitation, and temporal features, enable innovative research beyond existing solutions. We demonstrate one such use case of two-stage demand modeling: first, we reconstruct the latent demand during stockouts using precise hourly annotations. We then leverage the recovered demand to train robust demand forecasting models in the second stage. Experimental results show that this approach achieves a 2.73\% improvement in prediction accuracy while reducing the systematic demand underestimation from 7.37\% to near-zero bias. With unprecedented temporal granularity and comprehensive real-world information, FreshRetailNet-50K opens new research directions in demand imputation, perishable inventory optimization, and causal retail analytics. The unique annotation quality and scale of the dataset address long-standing limitations in retail AI, providing immediate solutions and a platform for future methodological innovation. The data (https://huggingface.co/datasets/Dingdong-Inc/FreshRetailNet-50K) and code (https://github.com/Dingdong-Inc/frn-50k-baseline}) are openly released.
AdaSTaR: Adaptive Data Sampling for Training Self-Taught Reasoners
Authors: Woosung Koh, Wonbeen Oh, Jaein Jang, MinHyung Lee, Hyeongjin Kim, Ah Yeon Kim, Joonkee Kim, Junghyun Lee, Taehyeon Kim, Se-Young Yun
Date: 2025-05-22 00:00:00
Tasks: Diversity

Self-Taught Reasoners (STaR), synonymously known as Rejection sampling Fine-Tuning (RFT), is an integral part of the training pipeline of self-improving reasoning Language Models (LMs). The self-improving mechanism often employs random observation (data) sampling. However, this results in trained observation imbalance; inefficiently over-training on solved examples while under-training on challenging ones. In response, we introduce Adaptive STaR (AdaSTaR), a novel algorithm that rectifies this by integrating two adaptive sampling principles: (1) Adaptive Sampling for Diversity: promoting balanced training across observations, and (2) Adaptive Sampling for Curriculum: dynamically adjusting data difficulty to match the model's evolving strength. Across six benchmarks, AdaSTaR achieves best test accuracy in all instances (6/6) and reduces training FLOPs by an average of 58.6% against an extensive list of baselines. These improvements in performance and efficiency generalize to different pre-trained LMs and larger models, paving the way for more efficient and effective self-improving LMs.
ChemMLLM: Chemical Multimodal Large Language Model
Authors: Qian Tan, Dongzhan Zhou, Peng Xia, Wanhao Liu, Wanli Ouyang, Lei Bai, Yuqiang Li, Tianfan Fu
Date: 2025-05-22 00:00:00
Tasks: Language Modeling, Language Modelling, Large Language Model, model, Multimodal Large Language Model

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, in this paper, we propose ChemMLLM, a unified chemical multimodal large language model for molecule understanding and generation. Also, we design five multimodal tasks across text, molecular SMILES strings, and image, and curate the datasets. We benchmark ChemMLLM against a range of general leading MLLMs and Chemical LLMs on these tasks. Experimental results show that ChemMLLM achieves superior performance across all evaluated tasks. For example, in molecule image optimization task, ChemMLLM outperforms the best baseline (GPT-4o) by 118.9\% (4.27 vs 1.95 property improvement). The code is publicly available at https://github.com/bbsbz/ChemMLLM.git.
Understanding Differential Transformer Unchains Pretrained Self-Attentions
Authors: Chaerin Kong, Jiho Jang, Nojun Kwak
Date: 2025-05-22 00:00:00

Differential Transformer has recently gained significant attention for its impressive empirical performance, often attributed to its ability to perform noise canceled attention. However, precisely how differential attention achieves its empirical benefits remains poorly understood. Moreover, Differential Transformer architecture demands large-scale training from scratch, hindering utilization of open pretrained weights. In this work, we conduct an in-depth investigation of Differential Transformer, uncovering three key factors behind its success: (1) enhanced expressivity via negative attention, (2) reduced redundancy among attention heads, and (3) improved learning dynamics. Based on these findings, we propose DEX, a novel method to efficiently integrate the advantages of differential attention into pretrained language models. By reusing the softmax attention scores and adding a lightweight differential operation on the output value matrix, DEX effectively incorporates the key advantages of differential attention while remaining lightweight in both training and inference. Evaluations confirm that DEX substantially improves the pretrained LLMs across diverse benchmarks, achieving significant performance gains with minimal adaptation data (< 0.01\%).
Improving Chemical Understanding of LLMs via SMILES Parsing
Authors: Yunhui Jang, Jaehyung Kim, Sungsoo Ahn
Date: 2025-05-22 00:00:00
Tasks: Graph Matching, scientific discovery

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures, commonly encoded in the SMILES representation. However, current LLMs struggle to interpret SMILES, even failing to carry out basic tasks such as counting molecular rings. To address this limitation, we introduce CLEANMOL, a novel framework that formulates SMILES parsing into a suite of clean and deterministic tasks explicitly designed to promote graph-level molecular comprehension. These tasks span from subgraph matching to global graph matching, providing structured supervision aligned with molecular structural properties. We construct a molecular pretraining dataset with adaptive difficulty scoring and pre-train open-source LLMs on these tasks. Our results show that CLEANMOL not only enhances structural comprehension but also achieves the best or competes with the baseline on the Mol-Instructions benchmark.
A Square Peg in a Square Hole: Meta-Expert for Long-Tailed Semi-Supervised Learning
Authors: Yaxin Hou, Yuheng Jia
Date: 2025-05-22 00:00:00
Tasks: Pseudo Label

This paper studies the long-tailed semi-supervised learning (LTSSL) with distribution mismatch, where the class distribution of the labeled training data follows a long-tailed distribution and mismatches with that of the unlabeled training data. Most existing methods introduce auxiliary classifiers (experts) to model various unlabeled data distributions and produce pseudo-labels, but the expertises of various experts are not fully utilized. We observe that different experts are good at predicting different intervals of samples, e.g., long-tailed expert is skilled in samples located in the head interval and uniform expert excels in samples located in the medium interval. Therefore, we propose a dynamic expert assignment module that can estimate the class membership (i.e., head, medium, or tail class) of samples, and dynamically assigns suitable expert to each sample based on the estimated membership to produce high-quality pseudo-label in the training phase and produce prediction in the testing phase. We also theoretically reveal that integrating different experts' strengths will lead to a smaller generalization error bound. Moreover, we find that the deeper features are more biased toward the head class but with more discriminative ability, while the shallower features are less biased but also with less discriminative ability. We, therefore, propose a multi-depth feature fusion module to utilize different depth features to mitigate the model bias. Our method demonstrates its effectiveness through comprehensive experiments on the CIFAR-10-LT, STL-10-LT, and SVHN-LT datasets across various settings. The code is available at https://github.com/yaxinhou/Meta-Expert.
SATURN: SAT-based Reinforcement Learning to Unleash Language Model Reasoning
Authors: Huanyu Liu, Jia Li, Hao Zhu, Kechi Zhang, Yihong Dong, Ge Li
Date: 2025-05-22 00:00:00
Tasks: Language Modeling, Language Modelling, Math, Reinforcement Learning (RL)

How to design reinforcement learning (RL) tasks that effectively unleash the reasoning capability of large language models (LLMs) remains an open question. Existing RL tasks (e.g., math, programming, and constructing reasoning tasks) suffer from three key limitations: (1) Scalability. They rely heavily on human annotation or expensive LLM synthesis to generate sufficient training data. (2) Verifiability. LLMs' outputs are hard to verify automatically and reliably. (3) Controllable Difficulty. Most tasks lack fine-grained difficulty control, making it hard to train LLMs to develop reasoning ability from easy to hard. To address these limitations, we propose Saturn, a SAT-based RL framework that uses Boolean Satisfiability (SAT) problems to train and evaluate LLM reasoning. Saturn enables scalable task construction, rule-based verification, and precise difficulty control. Saturn designs a curriculum learning pipeline that continuously improves LLMs' reasoning capability by constructing SAT tasks of increasing difficulty and training LLMs from easy to hard. To ensure stable training, we design a principled mechanism to control difficulty transitions. We introduce Saturn-2.6k, a dataset of 2,660 SAT problems with varying difficulty. It supports the evaluation of how LLM reasoning changes with problem difficulty. We apply Saturn to DeepSeek-R1-Distill-Qwen and obtain Saturn-1.5B and Saturn-7B. We achieve several notable results: (1) On SAT problems, Saturn-1.5B and Saturn-7B achieve average pass@3 improvements of +14.0 and +28.1, respectively. (2) On math and programming tasks, Saturn-1.5B and Saturn-7B improve average scores by +4.9 and +1.8 on benchmarks (e.g., AIME, LiveCodeBench). (3) Compared to the state-of-the-art (SOTA) approach in constructing RL tasks, Saturn achieves further improvements of +8.8%. We release the source code, data, and models to support future research.