Peilin Zhao

Jianheng Tang, Fengrui Hua, Ziqi Gao et al.

With a long history of traditional Graph Anomaly Detection (GAD) algorithms and recently popular Graph Neural Networks (GNNs), it is still not clear (1) how they perform under a standard comprehensive setting, (2) whether GNNs can outperform traditional algorithms such as tree ensembles, and (3) how about their efficiency on large-scale graphs. In response, we introduce GADBench -- a benchmark tool dedicated to supervised anomalous node detection in static graphs. GADBench facilitates a detailed comparison across 29 distinct models on ten real-world GAD datasets, encompassing thousands to millions ($\sim$6M) nodes. Our main finding is that tree ensembles with simple neighborhood aggregation can outperform the latest GNNs tailored for the GAD task. We shed light on the current progress of GAD, setting a robust groundwork for subsequent investigations in this domain. GADBench is open-sourced at https://github.com/squareRoot3/GADBench.

Zongbo Han, Zhipeng Liang, Fan Yang et al.

Subpopulation shift widely exists in many real-world machine learning applications, referring to the training and test distributions containing the same subpopulation groups but varying in subpopulation frequencies. Importance reweighting is a normal way to handle the subpopulation shift issue by imposing constant or adaptive sampling weights on each sample in the training dataset. However, some recent studies have recognized that most of these approaches fail to improve the performance over empirical risk minimization especially when applied to over-parameterized neural networks. In this work, we propose a simple yet practical framework, called uncertainty-aware mixup (UMIX), to mitigate the overfitting issue in over-parameterized models by reweighting the ''mixed'' samples according to the sample uncertainty. The training-trajectories-based uncertainty estimation is equipped in the proposed UMIX for each sample to flexibly characterize the subpopulation distribution. We also provide insightful theoretical analysis to verify that UMIX achieves better generalization bounds over prior works. Further, we conduct extensive empirical studies across a wide range of tasks to validate the effectiveness of our method both qualitatively and quantitatively. Code is available at https://github.com/TencentAILabHealthcare/UMIX.

Huan Ma, Changqing Zhang, Yatao Bian et al. · tencent-ai

Large language models have demonstrated surprising ability to perform in-context learning, i.e., these models can be directly applied to solve numerous downstream tasks by conditioning on a prompt constructed by a few input-output examples. However, prior research has shown that in-context learning can suffer from high instability due to variations in training examples, example order, and prompt formats. Therefore, the construction of an appropriate prompt is essential for improving the performance of in-context learning. In this paper, we revisit this problem from the view of predictive bias. Specifically, we introduce a metric to evaluate the predictive bias of a fixed prompt against labels or a given attributes. Then we empirically show that prompts with higher bias always lead to unsatisfactory predictive quality. Based on this observation, we propose a novel search strategy based on the greedy search to identify the near-optimal prompt for improving the performance of in-context learning. We perform comprehensive experiments with state-of-the-art mainstream models such as GPT-3 on various downstream tasks. Our results indicate that our method can enhance the model's in-context learning performance in an effective and interpretable manner.

Lanqing Li, Liang Zeng, Ziqi Gao et al.

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is overlooked by the current literature but may severely compromise the fairness and generalization of machine learning applications. Motivated by this observation, we introduce ImDrug, a comprehensive benchmark with an open-source Python library which consists of 4 imbalance settings, 11 AI-ready datasets, 54 learning tasks and 16 baseline algorithms tailored for imbalanced learning. It provides an accessible and customizable testbed for problems and solutions spanning a broad spectrum of the drug discovery pipeline such as molecular modeling, drug-target interaction and retrosynthesis. We conduct extensive empirical studies with novel evaluation metrics, to demonstrate that the existing algorithms fall short of solving medicinal and pharmaceutical challenges in the data imbalance scenario. We believe that ImDrug opens up avenues for future research and development, on real-world challenges at the intersection of AIDD and deep imbalanced learning.

Haoyu Wang, Guozheng Ma, Cong Yu et al.

The swift advancement in the scales and capabilities of Large Language Models (LLMs) positions them as promising tools for a variety of downstream tasks. In addition to the pursuit of better performance and the avoidance of violent feedback on a certain prompt, to ensure the responsibility of the LLM, much attention is drawn to the robustness of LLMs. However, existing evaluation methods mostly rely on traditional question answering datasets with predefined supervised labels, which do not align with the superior generation capabilities of contemporary LLMs. To address this issue, we propose a novel rational evaluation approach that leverages pre-trained reward models as diagnostic tools to evaluate the longer conversation generated from more challenging open questions by LLMs, which we refer to as the Reward Model for Reasonable Robustness Evaluation (TREvaL). Longer conversations manifest the comprehensive grasp of language models in terms of their proficiency in understanding questions, a capability not entirely encompassed by individual words or letters, which may exhibit oversimplification and inherent biases. Our extensive empirical experiments demonstrate that TREvaL provides an innovative method for evaluating the robustness of an LLM. Furthermore, our results demonstrate that LLMs frequently exhibit vulnerability to word-level perturbations that are commonplace in daily language usage. Notably, we are surprised to discover that robustness tends to decrease as fine-tuning (SFT and RLHF) is conducted. The code of TREval is available in https://github.com/Harry-mic/TREvaL.

Songtao Liu, Zhengkai Tu, Minkai Xu et al.

Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only the product as the input to predict the reactants for each planning step and ignoring valuable context information along the synthetic route. In this work, we propose a novel framework that utilizes context information for improved retrosynthetic planning. We view synthetic routes as reaction graphs and propose to incorporate context through three principled steps: encode molecules into embeddings, aggregate information over routes, and readout to predict reactants. Our approach is the first attempt to utilize in-context learning for retrosynthesis prediction in retrosynthetic planning. The entire framework can be efficiently optimized in an end-to-end fashion and produce more practical and accurate predictions. Comprehensive experiments demonstrate that by fusing in the context information over routes, our model significantly improves the performance of retrosynthetic planning over baselines that are not context-aware, especially for long synthetic routes. Code is available at https://github.com/SongtaoLiu0823/FusionRetro.

Shuaicheng Niu, Jiaxiang Wu, Yifan Zhang et al.

Test-time adaptation (TTA) seeks to tackle potential distribution shifts between training and testing data by adapting a given model w.r.t. any testing sample. This task is particularly important for deep models when the test environment changes frequently. Although some recent attempts have been made to handle this task, we still face two practical challenges: 1) existing methods have to perform backward computation for each test sample, resulting in unbearable prediction cost to many applications; 2) while existing TTA solutions can significantly improve the test performance on out-of-distribution data, they often suffer from severe performance degradation on in-distribution data after TTA (known as catastrophic forgetting). In this paper, we point out that not all the test samples contribute equally to model adaptation, and high-entropy ones may lead to noisy gradients that could disrupt the model. Motivated by this, we propose an active sample selection criterion to identify reliable and non-redundant samples, on which the model is updated to minimize the entropy loss for test-time adaptation. Furthermore, to alleviate the forgetting issue, we introduce a Fisher regularizer to constrain important model parameters from drastic changes, where the Fisher importance is estimated from test samples with generated pseudo labels. Extensive experiments on CIFAR-10-C, ImageNet-C, and ImageNet-R verify the effectiveness of our proposed method.

Shuaicheng Niu, Jiaxiang Wu, Yifan Zhang et al.

Test-time adaptation (TTA) has shown to be effective at tackling distribution shifts between training and testing data by adapting a given model on test samples. However, the online model updating of TTA may be unstable and this is often a key obstacle preventing existing TTA methods from being deployed in the real world. Specifically, TTA may fail to improve or even harm the model performance when test data have: 1) mixed distribution shifts, 2) small batch sizes, and 3) online imbalanced label distribution shifts, which are quite common in practice. In this paper, we investigate the unstable reasons and find that the batch norm layer is a crucial factor hindering TTA stability. Conversely, TTA can perform more stably with batch-agnostic norm layers, \ie, group or layer norm. However, we observe that TTA with group and layer norms does not always succeed and still suffers many failure cases. By digging into the failure cases, we find that certain noisy test samples with large gradients may disturb the model adaption and result in collapsed trivial solutions, \ie, assigning the same class label for all samples. To address the above collapse issue, we propose a sharpness-aware and reliable entropy minimization method, called SAR, for further stabilizing TTA from two aspects: 1) remove partial noisy samples with large gradients, 2) encourage model weights to go to a flat minimum so that the model is robust to the remaining noisy samples. Promising results demonstrate that SAR performs more stably over prior methods and is computationally efficient under the above wild test scenarios.

Yihuai Lan, Zhiqiang Hu, Lei Wang et al.

This paper explores the open research problem of understanding the social behaviors of LLM-based agents. Using Avalon as a testbed, we employ system prompts to guide LLM agents in gameplay. While previous studies have touched on gameplay with LLM agents, research on their social behaviors is lacking. We propose a novel framework, tailored for Avalon, features a multi-agent system facilitating efficient communication and interaction. We evaluate its performance based on game success and analyze LLM agents' social behaviors. Results affirm the framework's effectiveness in creating adaptive agents and suggest LLM-based agents' potential in navigating dynamic social interactions. By examining collaboration and confrontation behaviors, we offer insights into this field's research and applications. Our code is publicly available at https://github.com/3DAgentWorld/LLM-Game-Agent.

Yongqiang Chen, Kaiwen Zhou, Yatao Bian et al.

Recently, there has been a growing surge of interest in enabling machine learning systems to generalize well to Out-of-Distribution (OOD) data. Most efforts are devoted to advancing optimization objectives that regularize models to capture the underlying invariance; however, there often are compromises in the optimization process of these OOD objectives: i) Many OOD objectives have to be relaxed as penalty terms of Empirical Risk Minimization (ERM) for the ease of optimization, while the relaxed forms can weaken the robustness of the original objective; ii) The penalty terms also require careful tuning of the penalty weights due to the intrinsic conflicts between ERM and OOD objectives. Consequently, these compromises could easily lead to suboptimal performance of either the ERM or OOD objective. To address these issues, we introduce a multi-objective optimization (MOO) perspective to understand the OOD optimization process, and propose a new optimization scheme called PAreto Invariant Risk Minimization (PAIR). PAIR improves the robustness of OOD objectives by cooperatively optimizing with other OOD objectives, thereby bridging the gaps caused by the relaxations. Then PAIR approaches a Pareto optimal solution that trades off the ERM and OOD objectives properly. Extensive experiments on challenging benchmarks, WILDS, show that PAIR alleviates the compromises and yields top OOD performances.

Bingzhe Wu, Jintang Li, Junchi Yu et al.

Deep graph learning has achieved remarkable progresses in both business and scientific areas ranging from finance and e-commerce, to drug and advanced material discovery. Despite these progresses, how to ensure various deep graph learning algorithms behave in a socially responsible manner and meet regulatory compliance requirements becomes an emerging problem, especially in risk-sensitive domains. Trustworthy graph learning (TwGL) aims to solve the above problems from a technical viewpoint. In contrast to conventional graph learning research which mainly cares about model performance, TwGL considers various reliability and safety aspects of the graph learning framework including but not limited to robustness, explainability, and privacy. In this survey, we provide a comprehensive review of recent leading approaches in the TwGL field from three dimensions, namely, reliability, explainability, and privacy protection. We give a general categorization for existing work and review typical work for each category. To give further insights for TwGL research, we provide a unified view to inspect previous works and build the connection between them. We also point out some important open problems remaining to be solved in the future developments of TwGL.

Liang Zeng, Lanqing Li, Ziqi Gao et al.

Graph contrastive learning (GCL) has attracted a surge of attention due to its superior performance for learning node/graph representations without labels. However, in practice, the underlying class distribution of unlabeled nodes for the given graph is usually imbalanced. This highly imbalanced class distribution inevitably deteriorates the quality of learned node representations in GCL. Indeed, we empirically find that most state-of-the-art GCL methods cannot obtain discriminative representations and exhibit poor performance on imbalanced node classification. Motivated by this observation, we propose a principled GCL framework on Imbalanced node classification (ImGCL), which automatically and adaptively balances the representations learned from GCL without labels. Specifically, we first introduce the online clustering based progressively balanced sampling (PBS) method with theoretical rationale, which balances the training sets based on pseudo-labels obtained from learned representations in GCL. We then develop the node centrality based PBS method to better preserve the intrinsic structure of graphs, by upweighting the important nodes of the given graph. Extensive experiments on multiple imbalanced graph datasets and imbalanced settings demonstrate the effectiveness of our proposed framework, which significantly improves the performance of the recent state-of-the-art GCL methods. Further experimental ablations and analyses show that the ImGCL framework consistently improves the representation quality of nodes in under-represented (tail) classes.

Jiahan Liu, Chaochao Yan, Yang Yu et al.

Retrosynthesis is a major task for drug discovery. It is formulated as a graph-generating problem by many existing approaches. Specifically, these methods firstly identify the reaction center, and break target molecule accordingly to generate synthons. Reactants are generated by either adding atoms sequentially to synthon graphs or directly adding proper leaving groups. However, both two strategies suffer since adding atoms results in a long prediction sequence which increases generation difficulty, while adding leaving groups can only consider the ones in the training set which results in poor generalization. In this paper, we propose a novel end-to-end graph generation model for retrosynthesis prediction, which sequentially identifies the reaction center, generates the synthons, and adds motifs to the synthons to generate reactants. Since chemically meaningful motifs are bigger than atoms and smaller than leaving groups, our method enjoys lower prediction complexity than adding atoms and better generalization than adding leaving groups. Experiments on a benchmark dataset show that the proposed model significantly outperforms previous state-of-the-art algorithms.

Shibo Feng, Chunyan Miao, Ke Xu et al.

The probability prediction of multivariate time series is a notoriously challenging but practical task. On the one hand, the challenge is how to effectively capture the cross-series correlations between interacting time series, to achieve accurate distribution modeling. On the other hand, we should consider how to capture the contextual information within time series more accurately to model multivariate temporal dynamics of time series. In this work, we proposed a novel non-autoregressive deep learning model, called Multi-scale Attention Normalizing Flow(MANF), where we integrate multi-scale attention and relative position information and the multivariate data distribution is represented by the conditioned normalizing flow. Additionally, compared with autoregressive modeling methods, our model avoids the influence of cumulative error and does not increase the time complexity. Extensive experiments demonstrate that our model achieves state-of-the-art performance on many popular multivariate datasets.

Yang Liu, Jiashun Cheng, Haihong Zhao et al.

Graph Neural Networks (GNNs) with equivariant properties have emerged as powerful tools for modeling complex dynamics of multi-object physical systems. However, their generalization ability is limited by the inadequate consideration of physical inductive biases: (1) Existing studies overlook the continuity of transitions among system states, opting to employ several discrete transformation layers to learn the direct mapping between two adjacent states; (2) Most models only account for first-order velocity information, despite the fact that many physical systems are governed by second-order motion laws. To incorporate these inductive biases, we propose the Second-order Equivariant Graph Neural Ordinary Differential Equation (SEGNO). Specifically, we show how the second-order continuity can be incorporated into GNNs while maintaining the equivariant property. Furthermore, we offer theoretical insights into SEGNO, highlighting that it can learn a unique trajectory between adjacent states, which is crucial for model generalization. Additionally, we prove that the discrepancy between this learned trajectory of SEGNO and the true trajectory is bounded. Extensive experiments on complex dynamical systems including molecular dynamics and motion capture demonstrate that our model yields a significant improvement over the state-of-the-art baselines.

Shuaicheng Niu, Jiaxiang Wu, Yifan Zhang et al.

Conventional deep models predict a test sample with a single forward propagation, which, however, may not be sufficient for predicting hard-classified samples. On the contrary, we human beings may need to carefully check the sample many times before making a final decision. During the recheck process, one may refine/adjust the prediction by referring to related samples. Motivated by this, we propose to predict those hard-classified test samples in a looped manner to boost the model performance. However, this idea may pose a critical challenge: how to construct looped inference, so that the original erroneous predictions on these hard test samples can be corrected with little additional effort. To address this, we propose a general Closed-Loop Inference (CLI) method. Specifically, we first devise a filtering criterion to identify those hard-classified test samples that need additional inference loops. For each hard sample, we construct an additional auxiliary learning task based on its original top-$K$ predictions to calibrate the model, and then use the calibrated model to obtain the final prediction. Promising results on ImageNet (in-distribution test samples) and ImageNet-C (out-of-distribution test samples) demonstrate the effectiveness of CLI in improving the performance of any pre-trained model.

Ziqi Gao, Yifan Niu, Jiashun Cheng et al.

Graph neural networks (GNNs) are popular weapons for modeling relational data. Existing GNNs are not specified for attribute-incomplete graphs, making missing attribute imputation a burning issue. Until recently, many works notice that GNNs are coupled with spectral concentration, which means the spectrum obtained by GNNs concentrates on a local part in spectral domain, e.g., low-frequency due to oversmoothing issue. As a consequence, GNNs may be seriously flawed for reconstructing graph attributes as graph spectral concentration tends to cause a low imputation precision. In this work, we present a regularized graph autoencoder for graph attribute imputation, named MEGAE, which aims at mitigating spectral concentration problem by maximizing the graph spectral entropy. Notably, we first present the method for estimating graph spectral entropy without the eigen-decomposition of Laplacian matrix and provide the theoretical upper error bound. A maximum entropy regularization then acts in the latent space, which directly increases the graph spectral entropy. Extensive experiments show that MEGAE outperforms all the other state-of-the-art imputation methods on a variety of benchmark datasets.

Yong Guo, Yaofo Chen, Yin Zheng et al.

Designing feasible and effective architectures under diverse computational budgets, incurred by different applications/devices, is essential for deploying deep models in real-world applications. To achieve this goal, existing methods often perform an independent architecture search process for each target budget, which is very inefficient yet unnecessary. More critically, these independent search processes cannot share their learned knowledge (i.e., the distribution of good architectures) with each other and thus often result in limited search results. To address these issues, we propose a Pareto-aware Neural Architecture Generator (PNAG) which only needs to be trained once and dynamically produces the Pareto optimal architecture for any given budget via inference. To train our PNAG, we learn the whole Pareto frontier by jointly finding multiple Pareto optimal architectures under diverse budgets. Such a joint search algorithm not only greatly reduces the overall search cost but also improves the search results. Extensive experiments on three hardware platforms (i.e., mobile device, CPU, and GPU) show the superiority of our method over existing methods.

Bingzhe Wu, Zhipeng Liang, Yuxuan Han et al.

Recently, federated learning has emerged as a promising approach for training a global model using data from multiple organizations without leaking their raw data. Nevertheless, directly applying federated learning to real-world tasks faces two challenges: (1) heterogeneity in the data among different organizations; and (2) data noises inside individual organizations. In this paper, we propose a general framework to solve the above two challenges simultaneously. Specifically, we propose using distributionally robust optimization to mitigate the negative effects caused by data heterogeneity paradigm to sample clients based on a learnable distribution at each iteration. Additionally, we observe that this optimization paradigm is easily affected by data noises inside local clients, which has a significant performance degradation in terms of global model prediction accuracy. To solve this problem, we propose to incorporate mixup techniques into the local training process of federated learning. We further provide comprehensive theoretical analysis including robustness analysis, convergence analysis, and generalization ability. Furthermore, we conduct empirical studies across different drug discovery tasks, such as ADMET property prediction and drug-target affinity prediction.

Zijing Ou, Tingyang Xu, Qinliang Su et al.

Learning neural set functions becomes increasingly more important in many applications like product recommendation and compound selection in AI-aided drug discovery. The majority of existing works study methodologies of set function learning under the function value oracle, which, however, requires expensive supervision signals. This renders it impractical for applications with only weak supervisions under the Optimal Subset (OS) oracle, the study of which is surprisingly overlooked. In this work, we present a principled yet practical maximum likelihood learning framework, termed as EquiVSet, that simultaneously meets the following desiderata of learning set functions under the OS oracle: i) permutation invariance of the set mass function being modeled; ii) permission of varying ground set; iii) minimum prior; and iv) scalability. The main components of our framework involve: an energy-based treatment of the set mass function, DeepSet-style architectures to handle permutation invariance, mean-field variational inference, and its amortized variants. Thanks to the elegant combination of these advanced architectures, empirical studies on three real-world applications (including Amazon product recommendation, set anomaly detection, and compound selection for virtual screening) demonstrate that EquiVSet outperforms the baselines by a large margin.

Fushuo Huo, Wenchao Xu, Zhong Zhang et al.

While Large Vision-Language Models (LVLMs) have rapidly advanced in recent years, the prevalent issue known as the `hallucination' problem has emerged as a significant bottleneck, hindering their real-world deployments. Existing methods mitigate this issue mainly from two perspectives: One approach leverages extra knowledge like robust instruction tuning LVLMs with curated datasets or employing auxiliary analysis networks, which inevitable incur additional costs. Another approach, known as contrastive decoding, induces hallucinations by manually disturbing the vision or instruction raw inputs and mitigates them by contrasting the outputs of the disturbed and original LVLMs. However, these approaches rely on empirical holistic input disturbances and double the inference cost. To avoid these issues, we propose a simple yet effective method named Self-Introspective Decoding (SID). Our empirical investigation reveals that pretrained LVLMs can introspectively assess the importance of vision tokens based on preceding vision and text (both instruction and generated) tokens. We develop the Context and Text-aware Token Selection (CT2S) strategy, which preserves only unimportant vision tokens after early layers of LVLMs to adaptively amplify text-informed hallucination during the auto-regressive decoding. This approach ensures that multimodal knowledge absorbed in the early layers induces multimodal contextual rather than aimless hallucinations. Subsequently, the original token logits subtract the amplified vision-and-text association hallucinations, guiding LVLMs decoding faithfully. Extensive experiments illustrate SID generates less-hallucination and higher-quality texts across various metrics, without extra knowledge and much additional computation burdens.

Zongbo Han, Zhipeng Liang, Fan Yang et al.

Subpopulation shift exists widely in many real-world applications, which refers to the training and test distributions that contain the same subpopulation groups but with different subpopulation proportions. Ignoring subpopulation shifts may lead to significant performance degradation and fairness concerns. Importance reweighting is a classical and effective way to handle the subpopulation shift. However, recent studies have recognized that most of these approaches fail to improve the performance especially when applied to over-parameterized neural networks which are capable of fitting any training samples. In this work, we propose a simple yet practical framework, called reweighted mixup (RMIX), to mitigate the overfitting issue in over-parameterized models by conducting importance weighting on the ''mixed'' samples. Benefiting from leveraging reweighting in mixup, RMIX allows the model to explore the vicinal space of minority samples more, thereby obtaining more robust model against subpopulation shift. When the subpopulation memberships are unknown, the training-trajectories-based uncertainty estimation is equipped in the proposed RMIX to flexibly characterize the subpopulation distribution. We also provide insightful theoretical analysis to verify that RMIX achieves better generalization bounds over prior works. Further, we conduct extensive empirical studies across a wide range of tasks to validate the effectiveness of the proposed method.

Ziniu Li, Ke Xu, Liu Liu et al.

Reinforcement learning (RL) has shown promise for decision-making tasks in real-world applications. One practical framework involves training parameterized policy models from an offline dataset and subsequently deploying them in an online environment. However, this approach can be risky since the offline training may not be perfect, leading to poor performance of the RL models that may take dangerous actions. To address this issue, we propose an alternative framework that involves a human supervising the RL models and providing additional feedback in the online deployment phase. We formalize this online deployment problem and develop two approaches. The first approach uses model selection and the upper confidence bound algorithm to adaptively select a model to deploy from a candidate set of trained offline RL models. The second approach involves fine-tuning the model in the online deployment phase when a supervision signal arrives. We demonstrate the effectiveness of these approaches for robot locomotion control and traffic light control tasks through empirical validation.

Chengqian Gao, Ke Xu, Liu Liu et al.

A promising paradigm for offline reinforcement learning (RL) is to constrain the learned policy to stay close to the dataset behaviors, known as policy constraint offline RL. However, existing works heavily rely on the purity of the data, exhibiting performance degradation or even catastrophic failure when learning from contaminated datasets containing impure trajectories of diverse levels. e.g., expert level, medium level, etc., while offline contaminated data logs exist commonly in the real world. To mitigate this, we first introduce gradient penalty over the learned value function to tackle the exploding Q-functions. We then relax the closeness constraints towards non-optimal actions with critic weighted constraint relaxation. Experimental results show that the proposed techniques effectively tame the non-optimal trajectories for policy constraint offline RL methods, evaluated on a set of contaminated D4RL Mujoco and Adroit datasets.

Zixuan Liu, Liu Liu, Xueqian Wang et al.

Differentiable optimization has received a significant amount of attention due to its foundational role in the domain of machine learning based on neural networks. This paper proposes a differentiable layer, named Differentiable Frank-Wolfe Layer (DFWLayer), by rolling out the Frank-Wolfe method, a well-known optimization algorithm which can solve constrained optimization problems without projections and Hessian matrix computations, thus leading to an efficient way of dealing with large-scale convex optimization problems with norm constraints. Experimental results demonstrate that the DFWLayer not only attains competitive accuracy in solutions and gradients but also consistently adheres to constraints.

Zeyu Cao, Zhipeng Liang, Shu Zhang et al.

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over different departments. This problem remains largely unexplored in the research community. To this end, we carefully design a customized encryption scheme named orthogonal matrix-based mask mechanism(O3M) for encrypting local contextual information while avoiding expensive conventional cryptographic techniques. We further apply the mechanism to two commonly-used bandit algorithms, LinUCB and LinTS, and instantiate two practical protocols for online recommendation under the vertical federated setting. The proposed protocols can perfectly recover the service quality of centralized bandit algorithms while achieving a satisfactory runtime efficiency, which is theoretically proved and analyzed in this paper. By conducting extensive experiments on both synthetic and real-world datasets, we show the superiority of the proposed method in terms of privacy protection and recommendation performance.

Liang Chen, Yatao Bian, Yang Deng et al.

Text watermarking has emerged as a pivotal technique for identifying machine-generated text. However, existing methods often rely on arbitrary vocabulary partitioning during decoding to embed watermarks, which compromises the availability of suitable tokens and significantly degrades the quality of responses. This study assesses the impact of watermarking on different capabilities of large language models (LLMs) from a cognitive science lens. Our finding highlights a significant disparity; knowledge recall and logical reasoning are more adversely affected than language generation. These results suggest a more profound effect of watermarking on LLMs than previously understood. To address these challenges, we introduce Watermarking with Mutual Exclusion (WatME), a novel approach leveraging linguistic prior knowledge of inherent lexical redundancy in LLM vocabularies to seamlessly integrate watermarks. Specifically, WatME dynamically optimizes token usage during the decoding process by applying a mutually exclusive rule to the identified lexical redundancies. This strategy effectively prevents the unavailability of appropriate tokens and preserves the expressive power of LLMs. We provide both theoretical analysis and empirical evidence showing that WatME effectively preserves the diverse capabilities of LLMs while ensuring watermark detectability.

Jiaye Lin, Mengdi Li, Xufeng Zhao et al.

Reward models trained through Reinforcement Learning from AI Feedback (RLAIF) methods frequently suffer from limited generalizability, which hinders the alignment performance of policy models. This challenge stems from various issues, including distribution shift, preference label noise, and mismatch of overly challenging samples with model capacity. In this paper, we aim to enhance the generalizability of reward models through a data-centric approach, driven by the insight that these issues are inherently intertwined from a uniform perspective of data difficulty. Accordingly, we propose a novel framework, Curriculum-RLAIF, which constructs preference pairs with varying difficulty levels and then produces a specific curriculum for reward model training. Comprehensive experimental results suggest that reward models trained with Curriculum-RLAIF achieve improved generalizability, boosting the alignment performance of policy models by a significant margin without incurring additional inference costs compared to various existing non-curriculum baselines. Further analysis and comparison with alternative strategies highlight the superiority of Curriculum-RLAIF in simplicity, efficiency, and effectiveness.

Ke Xu, Jianqiao Wangni, Yifan Zhang et al.

Data explosion and an increase in model size drive the remarkable advances in large-scale machine learning, but also make model training time-consuming and model storage difficult. To address the above issues in the distributed model training setting which has high computation efficiency and less device limitation, there are still two main difficulties. On one hand, the communication costs for exchanging information, e.g., stochastic gradients among different workers, is a key bottleneck for distributed training efficiency. On the other hand, less parameter model is easy for storage and communication, but the risk of damaging the model performance. To balance the communication costs, model capacity and model performance simultaneously, we propose quantized composite mirror descent adaptive subgradient (QCMD adagrad) and quantized regularized dual average adaptive subgradient (QRDA adagrad) for distributed training. To be specific, we explore the combination of gradient quantization and sparse model to reduce the communication cost per iteration in distributed training. A quantized gradient-based adaptive learning rate matrix is constructed to achieve a balance between communication costs, accuracy, and model sparsity. Moreover, we theoretically find that a large quantization error brings in extra noise, which influences the convergence and sparsity of the model. Therefore, a threshold quantization strategy with a relatively small error is adopted in QCMD adagrad and QRDA adagrad to improve the signal-to-noise ratio and preserve the sparsity of the model. Both theoretical analyses and empirical results demonstrate the efficacy and efficiency of the proposed algorithms.

Qianggang Ding, Deheng Ye, Tingyang Xu et al.

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges in the graph data for training, leading to degraded performance. In this paper, we propose Generative Predictive Network (GPN), a GNN-based joint learning framework that simultaneously learns the graph structure and the downstream task. Specifically, we develop a bilevel optimization framework for this joint learning task, in which the upper optimization (generator) and the lower optimization (predictor) are both instantiated with GNNs. To the best of our knowledge, our method is the first GNN-based bilevel optimization framework for resolving this task. Through extensive experiments, our method outperforms a wide range of baselines using benchmark datasets.

Yiqiang Yi, Xu Wan, Yatao Bian et al.

Predicting the docking between proteins and ligands is a crucial and challenging task for drug discovery. However, traditional docking methods mainly rely on scoring functions, and deep learning-based docking approaches usually neglect the 3D spatial information of proteins and ligands, as well as the graph-level features of ligands, which limits their performance. To address these limitations, we propose an equivariant transformer neural network for protein-ligand docking pose prediction. Our approach involves the fusion of ligand graph-level features by feature processing, followed by the learning of ligand and protein representations using our proposed TAMformer module. Additionally, we employ an iterative optimization approach based on the predicted distance matrix to generate refined ligand poses. The experimental results on real datasets show that our model can achieve state-of-the-art performance.

Ziqiao Meng, Peilin Zhao, Yang Yu et al.

Reaction and retrosynthesis prediction are fundamental tasks in computational chemistry that have recently garnered attention from both the machine learning and drug discovery communities. Various deep learning approaches have been proposed to tackle these problems, and some have achieved initial success. In this survey, we conduct a comprehensive investigation of advanced deep learning-based models for reaction and retrosynthesis prediction. We summarize the design mechanisms, strengths, and weaknesses of state-of-the-art approaches. Then, we discuss the limitations of current solutions and open challenges in the problem itself. Finally, we present promising directions to facilitate future research. To our knowledge, this paper is the first comprehensive and systematic survey that seeks to provide a unified understanding of reaction and retrosynthesis prediction.

Ziqiao Meng, Peilin Zhao, Yang Yu et al.

Organic reaction prediction is a critical task in drug discovery. Recently, researchers have achieved non-autoregressive reaction prediction by modeling the redistribution of electrons, resulting in state-of-the-art top-1 accuracy, and enabling parallel sampling. However, the current non-autoregressive decoder does not satisfy two essential rules of electron redistribution modeling simultaneously: the electron-counting rule and the symmetry rule. This violation of the physical constraints of chemical reactions impairs model performance. In this work, we propose a new framework called that combines two doubly stochastic self-attention mappings to obtain electron redistribution predictions that follow both constraints. We further extend our solution to a general multi-head attention mechanism with augmented constraints. To achieve this, we apply Sinkhorn's algorithm to iteratively update self-attention mappings, which imposes doubly conservative constraints as additional informative priors on electron redistribution modeling. We theoretically demonstrate that our can simultaneously satisfy both rules, which the current decoder mechanism cannot do. Empirical results show that our approach consistently improves the predictive performance of non-autoregressive models and does not bring an unbearable additional computational cost.

Huan Ma, Changqing Zhang, Huazhu Fu et al.

Nowadays, billions of people engage in communication and express their opinions on the internet daily. Unfortunately, not all of these expressions are friendly or compliant, making content moderation an indispensable task. A common approach is to use a discriminative model to classify the content, but this method often requires strict data engineering, otherwise it will face unacceptable overfitting. With the successful development of Large Language Models (LLMs) in recent years, LLM-based methods have become a feasible solution for handling tasks in various domains. Thanks to the knowledge of the foundation models, we can develop more robust privately deployed models with limited data via fine-tuning these foundation models. Moreover, as a generative model, it can provide detailed analysis of the review process, enhancing interpretability. In this paper, we introduce how to fine-tune a LLM model that can be privately deployed for content moderation. Specifically, we discuss the differences between discriminative and generative models using content moderation as an example. Additionally, we reveal that incorporating reasoning processes during the fine-tuning of LLMs can effectively alleviate overfitting, even if the model is not allowed to directly output reasoning processes during deployment. We present a complete process, from data collection and construction to model training and overfitting elimination, for fine-tuning LLMs in vertical domain deployments. We report the entire research process and the key findings in this paper, hoping to provide valuable experience for researchers who are fine-tuning privately deployed models in their domain-specific research.

Shansan Gong, Shivam Agarwal, Yizhe Zhang et al.

Diffusion Language Models (DLMs) have emerged as a promising new paradigm for text generative modeling, potentially addressing limitations of autoregressive (AR) models. However, current DLMs have been studied at a smaller scale compared to their AR counterparts and lack fair comparison on language modeling benchmarks. Additionally, training diffusion models from scratch at scale remains challenging. Given the prevalence of open-source AR language models, we propose adapting these models to build text diffusion models. We demonstrate connections between AR and diffusion modeling objectives and introduce a simple continual pre-training approach for training diffusion models. Through systematic evaluation on language modeling, reasoning, and commonsense benchmarks, we show that we can convert AR models ranging from 127M to 7B parameters (GPT2 and LLaMA) into diffusion models DiffuGPT and DiffuLLaMA, using less than 200B tokens for training. Our experimental results reveal that these models outperform earlier DLMs and are competitive with their AR counterparts. We release a suite of DLMs (127M-355M-7B) capable of generating fluent text, performing in-context learning, filling in the middle without prompt re-ordering, and following instructions https://github.com/HKUNLP/DiffuLLaMA.

Wei Li, Shibo Feng, Pengcheng Wu et al.

Vector quantization (VQ) with autoregressive (AR) token modeling is a widely adopted and highly competitive paradigm for time-series generation. However, such models are fundamentally limited by exposure bias: during inference, errors can accumulate across sequential predictions, leading to pronounced quality degradation in long-horizon generation. To address this, we propose SDFlow ($\textbf{S}$imilarity-$\textbf{D}$riven $\textbf{Flow}$ Matching), a non-autoregressive framework that operates entirely in the frozen VQ latent space and enables parallel sequence generation via flow matching. We tackle three key challenges in making this transition: (1) eliminating exposure bias by replacing step-wise token prediction with a global transport map; (2) mitigating the high-dimensionality of VQ token spaces via a low-rank manifold decomposition with a learned anchor prior over the latent manifold; and (3) incorporating discrete supervision into continuous transport dynamics by introducing a categorical posterior over codebook indices within a variational flow-matching formulation. Extensive experiments show that SDFlow achieves state-of-the-art performance, improving Discriminative Score and substantially reducing Context-FID, particularly for challenging long-sequence generation. Moreover, SDFlow provides significant inference speedups over autoregressive baselines, offering both high fidelity and computational efficiency. Code is available at https://anonymous.4open.science/r/SDFlow-D6F3/

Qingyang Zhang, Haitao Wu, Changqing Zhang et al.

Existing methods to enhance the reasoning capability of large language models predominantly rely on supervised fine-tuning (SFT) followed by reinforcement learning (RL) on reasoning-specific data. These approaches critically depend on external supervisions--such as labeled reasoning traces, verified golden answers, or pre-trained reward models. In this work, we propose Entropy Minimized Policy Optimization (\ours), which makes an early attempt at fully unsupervised LLM reasoning incentivization. By continuously minimizing the predictive entropy of LLMs on unlabeled questions in a latent semantic space, \ours achieves competitive performance compared to supervised counterparts on both mathematical and free-form natural reasoning tasks. Specifically, without any supervised signals, \ours boosts the accuracy of Qwen2.5-Math-7B Base from 30.7\% to 48.1\% on mathematical benchmarks and improves the accuracy of Qwen2.5-7B Base from 32.1\% to 50.1\% on MMLU-Pro. Primary experiments and analysis are also provided to interpret the effectiveness of \ours. Code is available at https://github.com/QingyangZhang/EMPO.

Peng Tang, Zhiqiang Xu, Pengfei Wei et al.

We propose an efficient deep learning method for single image defocus deblurring (SIDD) by further exploring inverse kernel properties. Although the current inverse kernel method, i.e., kernel-sharing parallel atrous convolution (KPAC), can address spatially varying defocus blurs, it has difficulty in handling large blurs of this kind. To tackle this issue, we propose a Residual and Recursive Kernel-sharing Atrous Convolution (R$^2$KAC). R$^2$KAC builds on a significant observation of inverse kernels, that is, successive use of inverse-kernel-based deconvolutions with fixed size helps remove unexpected large blurs but produces ringing artifacts. Specifically, on top of kernel-sharing atrous convolutions used to simulate multi-scale inverse kernels, R$^2$KAC applies atrous convolutions recursively to simulate a large inverse kernel. Specifically, on top of kernel-sharing atrous convolutions, R$^2$KAC stacks atrous convolutions recursively to simulate a large inverse kernel. To further alleviate the contingent effect of recursive stacking, i.e., ringing artifacts, we add identity shortcuts between atrous convolutions to simulate residual deconvolutions. Lastly, a scale recurrent module is embedded in the R$^2$KAC network, leading to SR-R$^2$KAC, so that multi-scale information from coarse to fine is exploited to progressively remove the spatially varying defocus blurs. Extensive experimental results show that our method achieves the state-of-the-art performance.

Yangyi Fang, Jiaye Lin, Xiaoliang Fu et al.

Multi-turn LLM agents are becoming pivotal to production systems, spanning customer service automation, e-commerce assistance, and interactive task management, where accurately distinguishing high-value informative signals from stochastic noise is critical for sample-efficient training. In real-world scenarios, a failure in a trivial task may reflect random instability, whereas success in a high-difficulty task signifies a genuine capability breakthrough. Yet, existing group-based policy optimization methods rigidly rely on statistical deviation within discrete batches, frequently misallocating credit when task difficulty fluctuates. To address this issue, we propose Proximity-based Multi-turn Optimization (ProxMO), a practical and robust framework engineered specifically for the constraints of real-world deployment. ProxMO integrates global context via two lightweight mechanisms: success-rate-aware modulation dynamically adapts gradient intensity based on episode-level difficulty, while proximity-based soft aggregation derives baselines through continuous semantic weighting at the step level. Extensive evaluations on ALFWorld and WebShop benchmarks demonstrate that ProxMO yields substantial performance gains over existing baselines with negligible computational cost. Ablation studies further validate the independent and synergistic efficacy of both mechanisms. Crucially, ProxMO offers plug-and-play compatibility with standard GRPO frameworks, facilitating immediate, low-friction adoption in existing industrial training pipelines. Our implementation is available at: \href{https://anonymous.4open.science/r/proxmo-B7E7/README.md}{https://anonymous.4open.science/r/proxmo}.

Wensong Bai, Chao Zhang, Yichao Fu et al.

In this paper, we propose the first fully push-forward-based distributional reinforcement learning algorithm, named PACER, which consists of a distributional critic, a stochastic actor and a sample-based encourager. Specifically, the push-forward operator is leveraged in both the critic and actor to model the return distributions and stochastic policies respectively, enabling them with equal modeling capability and thus enhancing the synergetic performance. Since it is infeasible to obtain the density function of the push-forward policies, novel sample-based regularizers are integrated in the encourager to incentivize efficient exploration and alleviate the risk of trapping into local optima. Moreover, a sample-based stochastic utility value policy gradient is established for the push-forward policy update, which circumvents the explicit demand of the policy density function in existing REINFORCE-based stochastic policy gradient. As a result, PACER fully utilizes the modeling capability of the push-forward operator and is able to explore a broader class of the policy space, compared with limited policy classes used in existing distributional actor critic algorithms (i.e. Gaussians). We validate the critical role of each component in our algorithm with extensive empirical studies. Experimental results demonstrate the superiority of our algorithm over the state-of-the-art.

Haoyu Wang, Bingzhe Wu, Yatao Bian et al.

Large Language Models (LLMs) are implicit troublemakers. While they provide valuable insights and assist in problem-solving, they can also potentially serve as a resource for malicious activities. Implementing safety alignment could mitigate the risk of LLMs generating harmful responses. We argue that: even when an LLM appears to successfully block harmful queries, there may still be hidden vulnerabilities that could act as ticking time bombs. To identify these underlying weaknesses, we propose to use a cost value model as both a detector and an attacker. Trained on external or self-generated harmful datasets, the cost value model could successfully influence the original safe LLM to output toxic content in decoding process. For instance, LLaMA-2-chat 7B outputs 39.18% concrete toxic content, along with only 22.16% refusals without any harmful suffixes. These potential weaknesses can then be exploited via prompt optimization such as soft prompts on images. We name this decoding strategy: Jailbreak Value Decoding (JVD), emphasizing that seemingly secure LLMs may not be as safe as we initially believe. They could be used to gather harmful data or launch covert attacks.

Yiqiang Yi, Xu Wan, Kangfei Zhao et al.

Binding affinity prediction of three-dimensional (3D) protein ligand complexes is critical for drug repositioning and virtual drug screening. Existing approaches transform a 3D protein-ligand complex to a two-dimensional (2D) graph, and then use graph neural networks (GNNs) to predict its binding affinity. However, the node and edge features of the 2D graph are extracted based on invariant local coordinate systems of the 3D complex. As a result, the method can not fully learn the global information of the complex, such as, the physical symmetry and the topological information of bonds. To address these issues, we propose a novel Equivariant Line Graph Network (ELGN) for affinity prediction of 3D protein ligand complexes. The proposed ELGN firstly adds a super node to the 3D complex, and then builds a line graph based on the 3D complex. After that, ELGN uses a new E(3)-equivariant network layer to pass the messages between nodes and edges based on the global coordinate system of the 3D complex. Experimental results on two real datasets demonstrate the effectiveness of ELGN over several state-of-the-art baselines.

Chengqian Gao, Haonan Li, Liu Liu et al.

The alignment of large language models (LLMs) often assumes that using more clean data yields better outcomes, overlooking the match between model capacity and example difficulty. Challenging this, we propose a new principle: Preference data vary in difficulty, and overly difficult examples hinder alignment, by exceeding the model's capacity. Through systematic experimentation, we validate this principle with three key findings: (1) preference examples vary in difficulty, as evidenced by consistent learning orders across alignment runs; (2) overly difficult examples significantly degrade performance across four LLMs and two datasets; and (3) the capacity of a model dictates its threshold for handling difficult examples, underscoring a critical relationship between data selection and model capacity. Building on this principle, we introduce Selective DPO, which filters out overly difficult examples. This simple adjustment improves alignment performance by 9-16% in win rates on the AlpacaEval 2 benchmark compared to the DPO baseline, suppressing a series of DPO variants with different algorithmic adjustments. Together, these results illuminate the importance of aligning data difficulty with model capacity, offering a transformative perspective for improving alignment strategies in LLMs. Code is available at https://github.com/glorgao/SelectiveDPO.

Wanjin Feng, Xingyu Gao, Wenqian Du et al.

Spiking Neural Networks (SNNs) often suffer from high time complexity $O(T)$ due to the sequential processing of $T$ spikes, making training computationally expensive. In this paper, we propose a novel Fixed-point Parallel Training (FPT) method to accelerate SNN training without modifying the network architecture or introducing additional assumptions. FPT reduces the time complexity to $O(K)$, where $K$ is a small constant (usually $K=3$), by using a fixed-point iteration form of Leaky Integrate-and-Fire (LIF) neurons for all $T$ timesteps. We provide a theoretical convergence analysis of FPT and demonstrate that existing parallel spiking neurons can be viewed as special cases of our proposed method. Experimental results show that FPT effectively simulates the dynamics of original LIF neurons, significantly reducing computational time without sacrificing accuracy. This makes FPT a scalable and efficient solution for real-world applications, particularly for long-term tasks. Our code will be released at \href{https://github.com/WanjinVon/FPT}{\texttt{https://github.com/WanjinVon/FPT}}.

Shibo Feng, Wanjin Feng, Xingyu Gao et al.

Spiking Neural Networks (SNNs) offer a promising, biologically inspired approach for processing spatiotemporal data, particularly for time series forecasting. However, conventional neuron models like the Leaky Integrate-and-Fire (LIF) struggle to capture long-term dependencies and effectively process multi-scale temporal dynamics. To overcome these limitations, we introduce the Temporal Segment Leaky Integrate-and-Fire (TS-LIF) model, featuring a novel dual-compartment architecture. The dendritic and somatic compartments specialize in capturing distinct frequency components, providing functional heterogeneity that enhances the neuron's ability to process both low- and high-frequency information. Furthermore, the newly introduced direct somatic current injection reduces information loss during intra-neuronal transmission, while dendritic spike generation improves multi-scale information extraction. We provide a theoretical stability analysis of the TS-LIF model and explain how each compartment contributes to distinct frequency response characteristics. Experimental results show that TS-LIF outperforms traditional SNNs in time series forecasting, demonstrating better accuracy and robustness, even with missing data. TS-LIF advances the application of SNNs in time-series forecasting, providing a biologically inspired approach that captures complex temporal dynamics and offers potential for practical implementation in diverse forecasting scenarios. The source code is available at https://github.com/kkking-kk/TS-LIF.

Yuchang Zhu, Huizhe Zhang, Bingzhe Wu et al.

Large language models (LLMs) are widely adopted to generate synthetic datasets for various natural language processing (NLP) tasks, such as text classification and summarization. However, accurately measuring the diversity of these synthetic datasets-an aspect crucial for robust model performance-remains a significant challenge. In this paper, we introduce DCScore, a novel method for measuring synthetic dataset diversity from a classification perspective. Specifically, DCScore formulates diversity evaluation as a sample classification task, leveraging mutual relationships among samples. We further provide theoretical verification of the diversity-related axioms satisfied by DCScore, highlighting its role as a principled diversity evaluation method. Experimental results on synthetic datasets reveal that DCScore enjoys a stronger correlation with multiple diversity pseudo-truths of evaluated datasets, underscoring its effectiveness. Moreover, both empirical and theoretical evidence demonstrate that DCScore substantially reduces computational costs compared to existing methods. Code is available at: https://github.com/bluewhalelab/dcscore.

Guikun Xu, Xiaohan Yi, Peilin Zhao et al.

Generating low-energy conformer ensembles and identifying ground-state conformations from molecular graphs remain computationally demanding with physics-based pipelines. Current learning-based approaches often suffer from a fragmented paradigm: generative models capture diversity but lack reliable energy calibration, whereas deterministic predictors target a single structure and fail to represent ensemble variability. Here we present EnFlow, a unified framework that couples flow matching (FM) with an explicitly learned energy model through an energy-guided sampling scheme defined along a non-Gaussian FM path. By incorporating energy-gradient guidance during sampling, our method steers trajectories toward lower-energy regions, substantially improving conformational fidelity, particularly in the few-step regime. The learned energy function further enables efficient energy-based ranking of generated ensembles for accurate ground-state identification. Extensive experiments on GEOM-QM9 and GEOM-Drugs demonstrate that EnFlow simultaneously improves generation metrics with 1--2 ODE-steps and reduces ground-state prediction errors compared with state-of-the-art methods.

Zhipeng Zhou, Linxiao Cao, Pengcheng Wu et al.

Multi-Task Learning (MTL) is a foundational machine learning problem that has seen extensive development over the past decade. Recently, various optimization-based MTL approaches have been proposed to learn multiple tasks simultaneously by altering the optimization trajectory. Although these methods strive to de-conflict and re-balance tasks, we empirically identify that their effectiveness is often undermined by an overlooked factor when employing advanced optimizers: the instant-derived gradients play only a marginal role in the actual parameter updates. This discrepancy prevents MTL frameworks from fully releasing its power on learning dynamics. Furthermore, we observe that Muon-a recently emerged advanced optimizer-inherently functions as a multi-task learner, which underscores the critical importance of the gradients used for its orthogonalization. To address these issues, we propose APT (Applicability of advanced oPTimizers), a framework featuring a simple adaptive momentum mechanism designed to balance the strengths between advanced optimizers and MTL. Additionally, we introduce a light direction preservation method to facilitate Muon's orthogonalization. Extensive experiments across four mainstream MTL datasets demonstrate that APT consistently augments existing MTL approaches, yielding substantial performance improvements.

Qingxin Xiao, Peilin Zhao, Yangyang Zhao et al.

During MLLM decoding, attention often abnormally concentrates on irrelevant image tokens. While existing research dismisses this as invalid noise and forcibly redirects attention to compel focusing on key image information, we argue these tokens are critical carriers of visual and narrative logic, and such coercive corrections exacerbate visual-language imbalance. Adopting a "decoding-as-game" perspective, we reveal that hallucinations stem from an equilibrium imbalance between linguistic priors and visual information. We propose Adversarial Counter-Commonsense Equilibrium (ACE), a training-free framework that perturbs visual context via counter-commonsense patches. Leveraging the fact that authentic visual features remain stable under perturbation while hallucinations fluctuate, ACE implements a dynamic game decoding strategy. This approach precisely suppresses perturbation-sensitive priors while compensating for stable visual signals to restore balance. Extensive experiments demonstrate that ACE, as a plug-and-play strategy, enhances model trustworthiness with negligible inference overhead.

Fengshun Wang, Qiurui Wang, Peilin Zhao

Technical Element Score (TES) and Program Component Score (PCS) evaluations in figure skating demand precise assessment of athletic actions and artistic interpretation, respectively. Existing methods face three major challenges. Firstly, video and audio cues are regarded as common features for both TES and PCS predictions in previous works without considering the prior evaluation criterion of figure skating. Secondly, action elements in competitions are separated in time, TES should be derived from each element's score, but existing methods try to give an overall TES prediction without evaluating each action element. Thirdly, lengthy competition videos make it difficult and inefficient to handle long-range contexts. To address these challenges, we propose a two-stream Mamba pyramid network that aligns with actual judging criteria to predict TES and PCS by separating visual-feature based TES evaluation stream from audio-visual-feature based PCS evaluation stream. In the PCS evaluation stream, we introduce a multi-level fusion mechanism to guarantee that video-based features remain unaffected when assessing TES, and enhance PCS estimation by fusing visual and auditory cues across each contextual level of the pyramid. In the TES evaluation stream, the multi-scale Mamba pyramid and TES head we proposed effectively address the challenges of localizing and evaluating action elements with various temporal scales and give score predictions. With Mamba's superior ability to capture long-range dependencies and its linear computational complexity, our method is ideal for handling lengthy figure skating videos. Comprehensive experimentation demonstrates that our framework attains state-of-the-art performance on the FineFS benchmark. Our source code is available at https://github.com/ycwfs/Figure-Skating-Action-Quality-Assessment.