Yifan Niu

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.

Haoran Feng, Yifan Niu, Zehuan Huang et al.

We introduce LaviGen, a framework that repurposes 3D generative models for 3D layout generation. Unlike previous methods that infer object layouts from textual descriptions, LaviGen operates directly in the native 3D space, formulating layout generation as an autoregressive process that explicitly models geometric relations and physical constraints among objects, producing coherent and physically plausible 3D scenes. To further enhance this process, we propose an adapted 3D diffusion model that integrates scene, object, and instruction information and employs a dual-guidance self-rollout distillation mechanism to improve efficiency and spatial accuracy. Extensive experiments on the LayoutVLM benchmark show LaviGen achieves superior 3D layout generation performance, with 19% higher physical plausibility than the state of the art and 65% faster computation. Our code is publicly available at https://github.com/fenghora/LaviGen.

Tian Bian, Yifan Niu, Chaohao Yuan et al.

Circuit discovery has recently attracted attention as a potential research direction to explain the non-trivial behaviors of language models. It aims to find the computational subgraphs, also known as circuits, within the model that are responsible for solving specific tasks. However, most existing studies overlook the holistic nature of these circuits and require designing specific corrupted activations for different tasks, which is inaccurate and inefficient. In this work, we propose an end-to-end approach based on the principle of Information Bottleneck, called IBCircuit, to identify informative circuits holistically. IBCircuit is an optimization framework for holistic circuit discovery and can be applied to any given task without tediously corrupted activation design. In both the Indirect Object Identification (IOI) and Greater-Than tasks, IBCircuit identifies more faithful and minimal circuits in terms of critical node components and edge components compared to recent related work.

Dongyi Liu, Yifan Niu, Qinwen Wang et al.

Large Language Model (LLM)-based search agents trained with reinforcement learning (RL) have significantly improved the performance of knowledge-intensive tasks. However, existing methods encounter critical challenges in long-horizon credit assignment: (i) Reward Sparsity, where models receive only outcome feedback without step-level guidance to differentiate action quality; (ii) Isolated Credit, where credit is assigned to steps independently, failing to capture sequential dependencies; and (iii) Distributional Shift, where rewards are estimated on templates that deviate from the model's natural generative distribution. To address these issues, we propose Pivot-Based Credit Assignment (PiCA), a novel step reward mechanism that reformulates the search trajectory as a sequential process of cumulative search progress. Unlike prior isolated step rewards, PiCA defines process rewards as success probabilities dependent on the historical context based on Potential-Based Reward Shaping (PBRS). This approach identifies pivot steps, which comprise target golden sub-queries and sub-answers derived from historical trajectories, as information peaks that significantly boost the likelihood of a correct final answer. By anchoring these step rewards to the final task objective, PiCA provides dense, pivot-aware and trajectory-dependent guidance while maintaining distributional consistency. Extensive experiments show that PiCA outperforms existing strong baselines across seven knowledge-intensive QA benchmarks, achieving 15.2% and 2.2% improvements for 3B and 7B models. The consistent performance gains across various models show PiCA's robust generalization. The code is available at https://github.com/novdream/PiCA.

Yang-Tian Sun, Zehuan Huang, Yifan Niu et al.

We present StereoWorld, a camera-conditioned stereo world model that jointly learns appearance and binocular geometry for end-to-end stereo video generation.Unlike monocular RGB or RGBD approaches, StereoWorld operates exclusively within the RGB modality, while simultaneously grounding geometry directly from disparity. To efficiently achieve consistent stereo generation, our approach introduces two key designs: (1) a unified camera-frame RoPE that augments latent tokens with camera-aware rotary positional encoding, enabling relative, view- and time-consistent conditioning while preserving pretrained video priors via a stable attention initialization; and (2) a stereo-aware attention decomposition that factors full 4D attention into 3D intra-view attention plus horizontal row attention, leveraging the epipolar prior to capture disparity-aligned correspondences with substantially lower compute. Across benchmarks, StereoWorld improves stereo consistency, disparity accuracy, and camera-motion fidelity over strong monocular-then-convert pipelines, achieving more than 3x faster generation with an additional 5% gain in viewpoint consistency. Beyond benchmarks, StereoWorld enables end-to-end binocular VR rendering without depth estimation or inpainting, enhances embodied policy learning through metric-scale depth grounding, and is compatible with long-video distillation for extended interactive stereo synthesis.

Yifan Niu, Han Xiao, Dongyi Liu et al.

Scaling long-context capabilities is crucial for Multimodal Large Language Models (MLLMs). However, real-world multimodal datasets are extremely heterogeneous. Existing training frameworks predominantly rely on static parallelism strategies, which suffer from severe load imbalance, redundant communication, and suboptimal hardware utilization under data heterogeneity. In this work, we propose Dynamic Hybrid Parallelism (DHP), an efficient parallelism strategy that adaptively reconfigures communication groups and parallelism degrees during MLLM training. We generalize the non-power-of-two parallelism degrees and develop a polynomial-time algorithm to generate near-optimal parallelism strategies with only millisecond-level overhead per training batch. DHP is able to maintain high hardware efficiency even under extreme data variability. Experimental results demonstrate that DHP significantly outperforms Megatron-LM and DeepSpeed, achieving up to 1.36 $\times$ speedup in training throughput while maintaining near-linear scaling efficiency across large-scale NPU clusters.

Yifan Niu, Han Xiao, Dongyi Liu et al.

As Large Language Models (LLMs) are increasingly deployed in real-world applications, it is important to ensure their behaviors align with human values, societal norms, and ethical principles. However, safety alignment under Reinforcement Learning (RL) often suffers from forgetting learned general abilities, which is also known as the alignment tax. To address this issue, we introduce Null-Space constrained Policy Optimization (NSPO), a novel RL framework for LLM safety alignment while preserving their core abilities. The safety policy gradients are geometrically projected into the null space of general tasks, thereby mitigating the safety alignment tax. In addition, we theoretically prove that NSPO preserves the model's original core capabilities, while still guaranteeing a descent direction for effective safety alignment. Extensive experiments demonstrate that NSPO outperforms existing methods by a large margin, achieving state-of-the-art safety performance without sacrificing accuracy on general tasks, including math, code, and instruction-following tasks. Notably, NSPO is data-efficient and only requires 40% of public human-annotated safety data from PKU-SafeRLHF to achieve promising safety performance, without a large amount of mixed general tasks data in existing alignment methods.

Yifan Niu, Aochuan Chen, Tingyang Xu et al.

It has been demonstrated that adversarial graphs, i.e., graphs with imperceptible perturbations, can cause deep graph models to fail on classification tasks. In this work, we extend the concept of adversarial graphs to the community detection problem, which is more challenging. We propose novel attack and defense techniques for community detection problem, with the objective of hiding targeted individuals from detection models and enhancing the robustness of community detection models, respectively. These techniques have many applications in real-world scenarios, for example, protecting personal privacy in social networks and understanding camouflage patterns in transaction networks. To simulate interactive attack and defense behaviors, we further propose a game-theoretic framework, called CD-GAME. One player is a graph attacker, while the other player is a Rayleigh Quotient defender. The CD-GAME models the mutual influence and feedback mechanisms between the attacker and the defender, revealing the dynamic evolutionary process of the game. Both players dynamically update their strategies until they reach the Nash equilibrium. Extensive experiments demonstrate the effectiveness of our proposed attack and defense methods, and both outperform existing baselines by a significant margin. Furthermore, CD-GAME provides valuable insights for understanding interactive attack and defense scenarios in community detection problems. We found that in traditional single-step attack or defense, attacker tends to employ strategies that are most effective, but are easily detected and countered by defender. When the interactive game reaches a Nash equilibrium, attacker adopts more imperceptible strategies that can still achieve satisfactory attack effectiveness even after defense.

Yifan Niu, Ziqi Gao, Tingyang Xu et al.

Exploring chemical space to find novel molecules that simultaneously satisfy multiple properties is crucial in drug discovery. However, existing methods often struggle with trading off multiple properties due to the conflicting or correlated nature of chemical properties. To tackle this issue, we introduce InversionGNN framework, an effective yet sample-efficient dual-path graph neural network (GNN) for multi-objective drug discovery. In the direct prediction path of InversionGNN, we train the model for multi-property prediction to acquire knowledge of the optimal combination of functional groups. Then the learned chemical knowledge helps the inversion generation path to generate molecules with required properties. In order to decode the complex knowledge of multiple properties in the inversion path, we propose a gradient-based Pareto search method to balance conflicting properties and generate Pareto optimal molecules. Additionally, InversionGNN is able to search the full Pareto front approximately in discrete chemical space. Comprehensive experimental evaluations show that InversionGNN is both effective and sample-efficient in various discrete multi-objective settings including drug discovery.

Aochuan Chen, Yifan Niu, Ziqi Gao et al.

The LifeTime Value (LTV) prediction, which endeavors to forecast the cumulative purchase contribution of a user to a particular item, remains a vital challenge that advertisers are keen to resolve. A precise LTV prediction system enhances the alignment of user interests with meticulously designed advertisements, thereby generating substantial profits for advertisers. Nonetheless, this issue is complicated by the paucity of data typically observed in real-world advertising scenarios. The purchase rate among registered users is often as critically low as 0.1%, resulting in a dataset where the majority of users make only several purchases. Consequently, there is insufficient supervisory signal for effectively training the LTV prediction model. An additional challenge emerges from the interdependencies among tasks with high correlation. It is a common practice to estimate a user's contribution to a game over a specified temporal interval. Varying the lengths of these intervals corresponds to distinct predictive tasks, which are highly correlated. For instance, predictions over a 7-day period are heavily reliant on forecasts made over a 3-day period, where exceptional cases can adversely affect the accuracy of both tasks. In order to comprehensively address the aforementioned challenges, we introduce an innovative framework denoted as Graph-Represented Pareto-Optimal LifeTime Value prediction (GRePO-LTV). Graph representation learning is initially employed to address the issue of data scarcity. Subsequently, Pareto-Optimization is utilized to manage the interdependence of prediction tasks.

Yifan Niu, Weihong Deng

With increasing appealing to privacy issues in face recognition, federated learning has emerged as one of the most prevalent approaches to study the unconstrained face recognition problem with private decentralized data. However, conventional decentralized federated algorithm sharing whole parameters of networks among clients suffers from privacy leakage in face recognition scene. In this work, we introduce a framework, FedGC, to tackle federated learning for face recognition and guarantees higher privacy. We explore a novel idea of correcting gradients from the perspective of backward propagation and propose a softmax-based regularizer to correct gradients of class embeddings by precisely injecting a cross-client gradient term. Theoretically, we show that FedGC constitutes a valid loss function similar to standard softmax. Extensive experiments have been conducted to validate the superiority of FedGC which can match the performance of conventional centralized methods utilizing full training dataset on several popular benchmark datasets.