LGJun 15, 2023Code
ST-PINN: A Self-Training Physics-Informed Neural Network for Partial Differential EquationsJunjun Yan, Xinhai Chen, Zhichao Wang et al.
Partial differential equations (PDEs) are an essential computational kernel in physics and engineering. With the advance of deep learning, physics-informed neural networks (PINNs), as a mesh-free method, have shown great potential for fast PDE solving in various applications. To address the issue of low accuracy and convergence problems of existing PINNs, we propose a self-training physics-informed neural network, ST-PINN. Specifically, ST-PINN introduces a pseudo label based self-learning algorithm during training. It employs governing equation as the pseudo-labeled evaluation index and selects the highest confidence examples from the sample points to attach the pseudo labels. To our best knowledge, we are the first to incorporate a self-training mechanism into physics-informed learning. We conduct experiments on five PDE problems in different fields and scenarios. The results demonstrate that the proposed method allows the network to learn more physical information and benefit convergence. The ST-PINN outperforms existing physics-informed neural network methods and improves the accuracy by a factor of 1.33x-2.54x. The code of ST-PINN is available at GitHub: https://github.com/junjun-yan/ST-PINN.
LGJul 12, 2023Code
Auxiliary-Tasks Learning for Physics-Informed Neural Network-Based Partial Differential Equations SolvingJunjun Yan, Xinhai Chen, Zhichao Wang et al.
Physics-informed neural networks (PINNs) have emerged as promising surrogate modes for solving partial differential equations (PDEs). Their effectiveness lies in the ability to capture solution-related features through neural networks. However, original PINNs often suffer from bottlenecks, such as low accuracy and non-convergence, limiting their applicability in complex physical contexts. To alleviate these issues, we proposed auxiliary-task learning-based physics-informed neural networks (ATL-PINNs), which provide four different auxiliary-task learning modes and investigate their performance compared with original PINNs. We also employ the gradient cosine similarity algorithm to integrate auxiliary problem loss with the primary problem loss in ATL-PINNs, which aims to enhance the effectiveness of the auxiliary-task learning modes. To the best of our knowledge, this is the first study to introduce auxiliary-task learning modes in the context of physics-informed learning. We conduct experiments on three PDE problems across different fields and scenarios. Our findings demonstrate that the proposed auxiliary-task learning modes can significantly improve solution accuracy, achieving a maximum performance boost of 96.62% (averaging 28.23%) compared to the original single-task PINNs. The code and dataset are open source at https://github.com/junjun-yan/ATL-PINN.
MLMay 3, 2022
High-dimensional Asymptotics of Feature Learning: How One Gradient Step Improves the RepresentationJimmy Ba, Murat A. Erdogdu, Taiji Suzuki et al.
We study the first gradient descent step on the first-layer parameters $\boldsymbol{W}$ in a two-layer neural network: $f(\boldsymbol{x}) = \frac{1}{\sqrt{N}}\boldsymbol{a}^\topσ(\boldsymbol{W}^\top\boldsymbol{x})$, where $\boldsymbol{W}\in\mathbb{R}^{d\times N}, \boldsymbol{a}\in\mathbb{R}^{N}$ are randomly initialized, and the training objective is the empirical MSE loss: $\frac{1}{n}\sum_{i=1}^n (f(\boldsymbol{x}_i)-y_i)^2$. In the proportional asymptotic limit where $n,d,N\to\infty$ at the same rate, and an idealized student-teacher setting, we show that the first gradient update contains a rank-1 "spike", which results in an alignment between the first-layer weights and the linear component of the teacher model $f^*$. To characterize the impact of this alignment, we compute the prediction risk of ridge regression on the conjugate kernel after one gradient step on $\boldsymbol{W}$ with learning rate $η$, when $f^*$ is a single-index model. We consider two scalings of the first step learning rate $η$. For small $η$, we establish a Gaussian equivalence property for the trained feature map, and prove that the learned kernel improves upon the initial random features model, but cannot defeat the best linear model on the input. Whereas for sufficiently large $η$, we prove that for certain $f^*$, the same ridge estimator on trained features can go beyond this "linear regime" and outperform a wide range of random features and rotationally invariant kernels. Our results demonstrate that even one gradient step can lead to a considerable advantage over random features, and highlight the role of learning rate scaling in the initial phase of training.
CVAug 12, 2023Code
Text-to-Video: a Two-stage Framework for Zero-shot Identity-agnostic Talking-head GenerationZhichao Wang, Mengyu Dai, Keld Lundgaard
The advent of ChatGPT has introduced innovative methods for information gathering and analysis. However, the information provided by ChatGPT is limited to text, and the visualization of this information remains constrained. Previous research has explored zero-shot text-to-video (TTV) approaches to transform text into videos. However, these methods lacked control over the identity of the generated audio, i.e., not identity-agnostic, hindering their effectiveness. To address this limitation, we propose a novel two-stage framework for person-agnostic video cloning, specifically focusing on TTV generation. In the first stage, we leverage pretrained zero-shot models to achieve text-to-speech (TTS) conversion. In the second stage, an audio-driven talking head generation method is employed to produce compelling videos privided the audio generated in the first stage. This paper presents a comparative analysis of different TTS and audio-driven talking head generation methods, identifying the most promising approach for future research and development. Some audio and videos samples can be found in the following link: https://github.com/ZhichaoWang970201/Text-to-Video/tree/main.
CLJul 23, 2024
A Comprehensive Survey of LLM Alignment Techniques: RLHF, RLAIF, PPO, DPO and MoreZhichao Wang, Bin Bi, Shiva Kumar Pentyala et al.
With advancements in self-supervised learning, the availability of trillions tokens in a pre-training corpus, instruction fine-tuning, and the development of large Transformers with billions of parameters, large language models (LLMs) are now capable of generating factual and coherent responses to human queries. However, the mixed quality of training data can lead to the generation of undesired responses, presenting a significant challenge. Over the past two years, various methods have been proposed from different perspectives to enhance LLMs, particularly in aligning them with human expectation. Despite these efforts, there has not been a comprehensive survey paper that categorizes and details these approaches. In this work, we aim to address this gap by categorizing these papers into distinct topics and providing detailed explanations of each alignment method, thereby helping readers gain a thorough understanding of the current state of the field.
LGNov 11, 2022
Spectral Evolution and Invariance in Linear-width Neural NetworksZhichao Wang, Andrew Engel, Anand Sarwate et al.
We investigate the spectral properties of linear-width feed-forward neural networks, where the sample size is asymptotically proportional to network width. Empirically, we show that the spectra of weight in this high dimensional regime are invariant when trained by gradient descent for small constant learning rates; we provide a theoretical justification for this observation and prove the invariance of the bulk spectra for both conjugate and neural tangent kernels. We demonstrate similar characteristics when training with stochastic gradient descent with small learning rates. When the learning rate is large, we exhibit the emergence of an outlier whose corresponding eigenvector is aligned with the training data structure. We also show that after adaptive gradient training, where a lower test error and feature learning emerge, both weight and kernel matrices exhibit heavy tail behavior. Simple examples are provided to explain when heavy tails can have better generalizations. We exhibit different spectral properties such as invariant bulk, spike, and heavy-tailed distribution from a two-layer neural network using different training strategies, and then correlate them to the feature learning. Analogous phenomena also appear when we train conventional neural networks with real-world data. We conclude that monitoring the evolution of the spectra during training is an essential step toward understanding the training dynamics and feature learning.
ASMay 21
OneVoice: One Model, Triple Scenarios-Towards Unified Zero-shot Voice ConversionZhichao Wang, Tao Li, Wenshuo Ge et al.
Recent progress of voice conversion~(VC) has achieved a new milestone in speaker cloning and linguistic preservation. But the field remains fragmented, relying on specialized models for linguistic-preserving, expressive, and singing scenarios. We propose OneVoice, a unified zero-shot framework capable of handling all three scenarios within a single model. OneVoice is built upon a continuous language model trained with VAE-free next-patch diffusion, ensuring high fidelity and efficient sequence modeling. Its core design for unification lies in a Mixture-of-Experts (MoE) designed to explicitly model shared conversion knowledge and scenario-specific expressivity. Expert selection is coordinated by a dual-path routing mechanism, including shared expert isolation and scenario-aware domain expert assignment with global-local cues. For precise conditioning, scenario-specific prosodic features are fused into each layer via a gated mechanism, allowing adaptive usage of prosody information. Furthermore, to enable the core idea and alleviate the imbalanced issue (abundant speech vs. scarce singing), we adopt a two-stage progressive training that includes foundational pre-training and scenario enhancement with LoRA-based domain experts. Experiments show that OneVoice matches or surpasses specialized models across all three scenarios, while verifying flexible control over scenarios and offering a fast decoding version as few as 2 steps. Audio samples are available on demo page.
MLMay 28
Eigen-Spike Emergence and Quadratic Equivalents for Conjugate Kernels on Nonlinearly Separable DataCollin Cranston, Zhichao Wang, Todd Kemp et al.
Recent work in random matrix theory (RMT) has developed the notion of deterministic equivalents: typically linear surrogate models that approximate the spectral behavior of large nonlinear random matrices, such as nonlinear feature maps in neural networks (NNs). On the one hand, these deterministic equivalents make theoretical predictions tractable by reducing a complex model to a simpler model with properties that fall under the umbrella of classical RMT tools. However, this leaves open the question of whether this idealized linear equivalence remains meaningful when dealing with high-dimensional nonlinearly separable data, such as performing clssification on nonlinearly separable data. Motivated by this, we consider the conjugate kernel (CK), which is the nonlinear feature map of a feedforward NN, under a canonical nonlinearly separable dataset, the XOR problem; and we use the study of informative outlier eigenvalues in the CK and whether their corresponding eigenvectors asymptotically align with XOR labels as a proxy for nonlinear learnability. We develop a robust quadratic equivalent to the spiked CK matrix that enables a precise analysis of emergent informative spikes, as one modifies various knobs common in ML practice: sample complexity, signal-to-noise ratio (SNR), nonlinear activation choice, and pretrained features. In each of these scenarios, we derive a precise BBP-type phase transition in which linear classification via the CK eigenvectors becomes possible. Our analysis helps translate the power of deterministic equivalence tools in RMT to study problems of practical relevance in ML.
GROct 18, 2022
An Improved Structured Mesh Generation Method Based on Physics-informed Neural NetworksXinhai Chen, Jie Liu, Junjun Yan et al.
Mesh generation remains a key technology in many areas where numerical simulations are required. As numerical algorithms become more efficient and computers become more powerful, the percentage of time devoted to mesh generation becomes higher. In this paper, we present an improved structured mesh generation method. The method formulates the meshing problem as a global optimization problem related to a physics-informed neural network. The mesh is obtained by intelligently solving the physical boundary-constrained partial differential equations. To improve the prediction accuracy of the neural network, we also introduce a novel auxiliary line strategy and an efficient network model during meshing. The strategy first employs a priori auxiliary lines to provide ground truth data and then uses these data to construct a loss term to better constrain the convergence of the subsequent training. The experimental results indicate that the proposed method is effective and robust. It can accurately approximate the mapping (transformation) from the computational domain to the physical domain and enable fast high-quality structured mesh generation.
CVJul 24, 2024
McGAN: Generating Manufacturable Designs by Embedding Manufacturing Rules into Conditional Generative Adversarial NetworkZhichao Wang, Xiaoliang Yan, Shreyes Melkote et al.
Generative design (GD) methods aim to automatically generate a wide variety of designs that satisfy functional or aesthetic design requirements. However, research to date generally lacks considerations of manufacturability of the generated designs. To this end, we propose a novel GD approach by using deep neural networks to encode design for manufacturing (DFM) rules, thereby modifying part designs to make them manufacturable by a given manufacturing process. Specifically, a three-step approach is proposed: first, an instance segmentation method, Mask R-CNN, is used to decompose a part design into subregions. Second, a conditional generative adversarial neural network (cGAN), Pix2Pix, transforms unmanufacturable decomposed subregions into manufacturable subregions. The transformed subregions of designs are subsequently reintegrated into a unified manufacturable design. These three steps, Mask-RCNN, Pix2Pix, and reintegration, form the basis of the proposed Manufacturable conditional GAN (McGAN) framework. Experimental results show that McGAN can transform existing unmanufacturable designs to generate their corresponding manufacturable counterparts automatically that realize the specified manufacturing rules in an efficient and robust manner. The effectiveness of McGAN is demonstrated through two-dimensional design case studies of an injection molding process.
LGJan 29, 2023
Entropy-driven Fair and Effective Federated LearningLin Wang, Zhichao Wang, Ye Shi et al.
Federated Learning (FL) enables collaborative model training across distributed devices while preserving data privacy. Nonetheless, the heterogeneity of edge devices often leads to inconsistent performance of the globally trained models, resulting in unfair outcomes among users. Existing federated fairness algorithms strive to enhance fairness but often fall short in maintaining the overall performance of the global model, typically measured by the average accuracy across all clients. To address this issue, we propose a novel algorithm that leverages entropy-based aggregation combined with model and gradient alignments to simultaneously optimize fairness and global model performance. Our method employs a bi-level optimization framework, where we derive an analytic solution to the aggregation probability in the inner loop, making the optimization process computationally efficient. Additionally, we introduce an innovative alignment update and an adaptive strategy in the outer loop to further balance global model's performance and fairness. Theoretical analysis indicates that our approach guarantees convergence even in non-convex FL settings and demonstrates significant fairness improvements in generalized regression and strongly convex models. Empirically, our approach surpasses state-of-the-art federated fairness algorithms, ensuring consistent performance among clients while improving the overall performance of the global model.
LGJan 29Code
LLM4Fluid: Large Language Models as Generalizable Neural Solvers for Fluid DynamicsQisong Xiao, Xinhai Chen, Qinglin Wang et al.
Deep learning has emerged as a promising paradigm for spatio-temporal modeling of fluid dynamics. However, existing approaches often suffer from limited generalization to unseen flow conditions and typically require retraining when applied to new scenarios. In this paper, we present LLM4Fluid, a spatio-temporal prediction framework that leverages Large Language Models (LLMs) as generalizable neural solvers for fluid dynamics. The framework first compresses high-dimensional flow fields into a compact latent space via reduced-order modeling enhanced with a physics-informed disentanglement mechanism, effectively mitigating spatial feature entanglement while preserving essential flow structures. A pretrained LLM then serves as a temporal processor, autoregressively predicting the dynamics of physical sequences with time series prompts. To bridge the modality gap between prompts and physical sequences, which can otherwise degrade prediction accuracy, we propose a dedicated modality alignment strategy that resolves representational mismatch and stabilizes long-term prediction. Extensive experiments across diverse flow scenarios demonstrate that LLM4Fluid functions as a robust and generalizable neural solver without retraining, achieving state-of-the-art accuracy while exhibiting powerful zero-shot and in-context learning capabilities. Code and datasets are publicly available at https://github.com/qisongxiao/LLM4Fluid.
LGMay 24, 2022
TorchNTK: A Library for Calculation of Neural Tangent Kernels of PyTorch ModelsAndrew Engel, Zhichao Wang, Anand D. Sarwate et al.
We introduce torchNTK, a python library to calculate the empirical neural tangent kernel (NTK) of neural network models in the PyTorch framework. We provide an efficient method to calculate the NTK of multilayer perceptrons. We compare the explicit differentiation implementation against autodifferentiation implementations, which have the benefit of extending the utility of the library to any architecture supported by PyTorch, such as convolutional networks. A feature of the library is that we expose the user to layerwise NTK components, and show that in some regimes a layerwise calculation is more memory efficient. We conduct preliminary experiments to demonstrate use cases for the software and probe the NTK.
LGAug 27, 2024
UNA: Unifying Alignments of RLHF/PPO, DPO and KTO by a Generalized Implicit Reward FunctionZhichao Wang, Bin Bi, Can Huang et al.
An LLM is pretrained on trillions of tokens, but the pretrained LLM may still generate undesired responses. To solve this problem, alignment techniques such as RLHF, DPO and KTO are proposed. However, these alignment techniques have limitations. For example, RLHF requires training the reward model and policy separately, which is complex, time-consuming, memory intensive and unstable during training processes. DPO proposes a mapping between an optimal policy and a reward, greatly simplifying the training process of RLHF. However, it can not take full advantages of a reward model and it is limited to pairwise preference data. In this paper, we propose \textbf{UN}ified \textbf{A}lignment (UNA) which unifies RLHF/PPO, DPO and KTO. Firstly, we mathematically prove that given the classical RLHF objective, the optimal policy is induced by a generalize implicit reward function. With this novel mapping between a reward model and an optimal policy, UNA can 1. unify RLHF/PPO, DPO and KTO into a supervised learning of minimizing the difference between an implicit reward and an explicit reward; 2. outperform RLHF/PPO while simplify, stabilize, speed up and reduce memory burden of RL fine-tuning process; 3. accommodate different feedback types including pairwise, binary and scalar feedback. Downstream experiments show UNA outperforms DPO, KTO and RLHF.
MLAug 2, 2024
Universality of Kernel Random Matrices and Kernel Regression in the Quadratic RegimeParthe Pandit, Zhichao Wang, Yizhe Zhu
Kernel ridge regression (KRR) is a popular class of machine learning models that has become an important tool for understanding deep learning. Much of the focus thus far has been on studying the proportional asymptotic regime, $n \asymp d$, where $n$ is the number of training samples and $d$ is the dimension of the dataset. In the proportional regime, under certain conditions on the data distribution, the kernel random matrix involved in KRR exhibits behavior akin to that of a linear kernel. In this work, we extend the study of kernel regression to the quadratic asymptotic regime, where $n \asymp d^2$. In this regime, we demonstrate that a broad class of inner-product kernels exhibits behavior similar to a quadratic kernel. Specifically, we establish an operator norm approximation bound for the difference between the original kernel random matrix and a quadratic kernel random matrix with additional correction terms compared to the Taylor expansion of the kernel functions. The approximation works for general data distributions under a Gaussian-moment-matching assumption with a covariance structure. This new approximation is utilized to obtain a limiting spectral distribution of the original kernel matrix and characterize the precise asymptotic training and test errors for KRR in the quadratic regime when $n/d^2$ converges to a non-zero constant. The generalization errors are obtained for (i) a random teacher model, (ii) a deterministic teacher model where the weights are perfectly aligned with the covariance of the data. Under the random teacher model setting, we also verify that the generalized cross-validation (GCV) estimator can consistently estimate the generalization error in the quadratic regime for anisotropic data. Our proof techniques combine moment methods, Wick's formula, orthogonal polynomials, and resolvent analysis of random matrices with correlated entries.
LGJan 29
PRISM: Distribution-free Adaptive Computation of Matrix Functions for Accelerating Neural Network TrainingShenghao Yang, Zhichao Wang, Oleg Balabanov et al.
Matrix functions such as square root, inverse roots, and orthogonalization play a central role in preconditioned gradient methods for neural network training. This has motivated the development of iterative algorithms that avoid explicit eigendecompositions and rely primarily on matrix multiplications, making them well suited for modern GPU accelerators. We present PRISM (Polynomial-fitting and Randomized Iterative Sketching for Matrix functions computation), a general framework for accelerating iterative algorithms for computing matrix functions. PRISM combines adaptive polynomial approximation with randomized sketching: at each iteration, it fits a polynomial surrogate to the current spectrum via a sketched least-squares problem, adapting to the instance at hand with minimal overhead. We apply PRISM to accelerate Newton-Schulz-like iterations for matrix square roots and orthogonalization, which are core primitives in machine learning. Unlike prior methods, PRISM requires no explicit spectral bounds or singular value estimates; and it adapts automatically to the evolving spectrum. Empirically, PRISM accelerates training when integrated into Shampoo and Muon optimizers.
STNov 11, 2022
Overparameterized random feature regression with nearly orthogonal dataZhichao Wang, Yizhe Zhu
We investigate the properties of random feature ridge regression (RFRR) given by a two-layer neural network with random Gaussian initialization. We study the non-asymptotic behaviors of the RFRR with nearly orthogonal deterministic unit-length input data vectors in the overparameterized regime, where the width of the first layer is much larger than the sample size. Our analysis shows high-probability non-asymptotic concentration results for the training errors, cross-validations, and generalization errors of RFRR centered around their respective values for a kernel ridge regression (KRR). This KRR is derived from an expected kernel generated by a nonlinear random feature map. We then approximate the performance of the KRR by a polynomial kernel matrix obtained from the Hermite polynomial expansion of the activation function, whose degree only depends on the orthogonality among different data points. This polynomial kernel determines the asymptotic behavior of the RFRR and the KRR. Our results hold for a wide variety of activation functions and input data sets that exhibit nearly orthogonal properties. Based on these approximations, we obtain a lower bound for the generalization error of the RFRR for a nonlinear student-teacher model.
CVSep 24, 2023
Proposing an intelligent mesh smoothing method with graph neural networksZhichao Wang, Xinhai Chen, Junjun Yan et al.
In CFD, mesh smoothing methods are commonly utilized to refine the mesh quality to achieve high-precision numerical simulations. Specifically, optimization-based smoothing is used for high-quality mesh smoothing, but it incurs significant computational overhead. Pioneer works improve its smoothing efficiency by adopting supervised learning to learn smoothing methods from high-quality meshes. However, they pose difficulty in smoothing the mesh nodes with varying degrees and also need data augmentation to address the node input sequence problem. Additionally, the required labeled high-quality meshes further limit the applicability of the proposed method. In this paper, we present GMSNet, a lightweight neural network model for intelligent mesh smoothing. GMSNet adopts graph neural networks to extract features of the node's neighbors and output the optimal node position. During smoothing, we also introduce a fault-tolerance mechanism to prevent GMSNet from generating negative volume elements. With a lightweight model, GMSNet can effectively smoothing mesh nodes with varying degrees and remain unaffected by the order of input data. A novel loss function, MetricLoss, is also developed to eliminate the need for high-quality meshes, which provides a stable and rapid convergence during training. We compare GMSNet with commonly used mesh smoothing methods on two-dimensional triangle meshes. The experimental results show that GMSNet achieves outstanding mesh smoothing performances with 5% model parameters of the previous model, and attains 13.56 times faster than optimization-based smoothing.
CLOct 30, 2025
The End of Manual Decoding: Towards Truly End-to-End Language ModelsZhichao Wang, Dongyang Ma, Xinting Huang et al.
The "end-to-end" label for LLMs is a misnomer. In practice, they depend on a non-differentiable decoding process that requires laborious, hand-tuning of hyperparameters like temperature and top-p. This paper introduces AutoDeco, a novel architecture that enables truly "end-to-end" generation by learning to control its own decoding strategy. We augment the standard transformer with lightweight heads that, at each step, dynamically predict context-specific temperature and top-p values alongside the next-token logits. This approach transforms decoding into a parametric, token-level process, allowing the model to self-regulate its sampling strategy within a single forward pass. Through extensive experiments on eight benchmarks, we demonstrate that AutoDeco not only significantly outperforms default decoding strategies but also achieves performance comparable to an oracle-tuned baseline derived from "hacking the test set"-a practical upper bound for any static method. Crucially, we uncover an emergent capability for instruction-based decoding control: the model learns to interpret natural language commands (e.g., "generate with low randomness") and adjusts its predicted temperature and top-p on a token-by-token basis, opening a new paradigm for steerable and interactive LLM decoding.
AIApr 13
Select Smarter, Not More: Prompt-Aware Evaluation Scheduling with Submodular GuaranteesXiaoyu Ma, Yiwen Li, Haoyue Liu et al.
Automatic prompt optimization (APO) hinges on the quality of its evaluation signal, yet scoring every prompt candidate on the full training set is prohibitively expensive. Existing methods either fix a single evaluation subset before optimization begins (principled but prompt-agnostic) or adapt it heuristically during optimization (flexible but unstable and lacking formal guarantees). We observe that APO naturally maps to an online adaptive testing problem: prompts are examinees, training examples are test items, and the scheduler should select items that best discriminate among the strongest candidates. This insight motivates Prompt-Aware Online Evaluation Scheduling (POES), which integrates an IRT-based discrimination utility, a facility-location coverage term, and switching-cost-aware warm-start swaps into a unified objective that is provably monotone submodular, yielding a (1-1/e) greedy guarantee for cold starts and bounded drift for warm-start updates. An adaptive controller modulates the exploration-exploitation balance based on optimization progress. Across 36 tasks spanning three benchmark families, POES achieves the highest overall average accuracy (6.2 percent improvement over the best baseline) with negligible token overhead (approximately 4 percent) at the same evaluation budget. Moreover, principled selection at k = 20 examples matches or exceeds the performance of naive evaluation at k = 30-50, reducing token consumption by 35-60 percent, showing that selecting smarter is more effective than selecting more. Our results demonstrate that evaluation scheduling is a first-class component of APO, not an implementation detail.
LGOct 31, 2023
FedRec+: Enhancing Privacy and Addressing Heterogeneity in Federated Recommendation SystemsLin Wang, Zhichao Wang, Xi Leng et al.
Preserving privacy and reducing communication costs for edge users pose significant challenges in recommendation systems. Although federated learning has proven effective in protecting privacy by avoiding data exchange between clients and servers, it has been shown that the server can infer user ratings based on updated non-zero gradients obtained from two consecutive rounds of user-uploaded gradients. Moreover, federated recommendation systems (FRS) face the challenge of heterogeneity, leading to decreased recommendation performance. In this paper, we propose FedRec+, an ensemble framework for FRS that enhances privacy while addressing the heterogeneity challenge. FedRec+ employs optimal subset selection based on feature similarity to generate near-optimal virtual ratings for pseudo items, utilizing only the user's local information. This approach reduces noise without incurring additional communication costs. Furthermore, we utilize the Wasserstein distance to estimate the heterogeneity and contribution of each client, and derive optimal aggregation weights by solving a defined optimization problem. Experimental results demonstrate the state-of-the-art performance of FedRec+ across various reference datasets.
CRMar 26
PIDP-Attack: Combining Prompt Injection with Database Poisoning Attacks on Retrieval-Augmented Generation SystemsHaozhen Wang, Haoyue Liu, Jionghao Zhu et al.
Large Language Models (LLMs) have demonstrated remarkable performance across a wide range of applications. However, their practical deployment is often hindered by issues such as outdated knowledge and the tendency to generate hallucinations. To address these limitations, Retrieval-Augmented Generation (RAG) systems have been introduced, enhancing LLMs with external, up-to-date knowledge sources. Despite their advantages, RAG systems remain vulnerable to adversarial attacks, with data poisoning emerging as a prominent threat. Existing poisoning-based attacks typically require prior knowledge of the user's specific queries, limiting their flexibility and real-world applicability. In this work, we propose PIDP-Attack, a novel compound attack that integrates prompt injection with database poisoning in RAG. By appending malicious characters to queries at inference time and injecting a limited number of poisoned passages into the retrieval database, our method can effectively manipulate LLM response to arbitrary query without prior knowledge of the user's actual query. Experimental evaluations across three benchmark datasets (Natural Questions, HotpotQA, MS-MARCO) and eight LLMs demonstrate that PIDP-Attack consistently outperforms the original PoisonedRAG. Specifically, our method improves attack success rates by 4% to 16% on open-domain QA tasks while maintaining high retrieval precision, proving that the compound attack strategy is both necessary and highly effective.
CLNov 3, 2024Code
Rate, Explain and Cite (REC): Enhanced Explanation and Attribution in Automatic Evaluation by Large Language ModelsAliyah R. Hsu, James Zhu, Zhichao Wang et al.
LLMs have demonstrated impressive proficiency in generating coherent and high-quality text, making them valuable across a range of text-generation tasks. However, rigorous evaluation of this generated content is crucial, as ensuring its quality remains a significant challenge due to persistent issues such as factual inaccuracies and hallucination. This paper introduces three fine-tuned general-purpose LLM autoevaluators, REC-8B, REC-12B and REC-70B, specifically designed to evaluate generated text across several dimensions: faithfulness, instruction following, coherence, and completeness. These models not only provide ratings for these metrics but also offer detailed explanation and verifiable citation, thereby enhancing trust in the content. Moreover, the models support various citation modes, accommodating different requirements for latency and granularity. Extensive evaluations on diverse benchmarks demonstrate that our general-purpose LLM auto-evaluator, REC-70B, outperforms state-of-the-art LLMs, excelling in content evaluation by delivering better quality explanation and citation with minimal bias. Our REC dataset and models are available at https://github.com/adelaidehsu/REC.
CLSep 19, 2025Code
Multi-Physics: A Comprehensive Benchmark for Multimodal LLMs Reasoning on Chinese Multi-Subject Physics ProblemsZhongze Luo, Zhenshuai Yin, Yongxin Guo et al.
While multimodal LLMs (MLLMs) demonstrate remarkable reasoning progress, their application in specialized scientific domains like physics reveals significant gaps in current evaluation benchmarks. Specifically, existing benchmarks often lack fine-grained subject coverage, neglect the step-by-step reasoning process, and are predominantly English-centric, failing to systematically evaluate the role of visual information. Therefore, we introduce \textbf {Multi-Physics} for Chinese physics reasoning, a comprehensive benchmark that includes 5 difficulty levels, featuring 1,412 image-associated, multiple-choice questions spanning 11 high-school physics subjects. We employ a dual evaluation framework to evaluate 20 different MLLMs, analyzing both final answer accuracy and the step-by-step integrity of their chain-of-thought. Furthermore, we systematically study the impact of difficulty level and visual information by comparing the model performance before and after changing the input mode. Our work provides not only a fine-grained resource for the community but also offers a robust methodology for dissecting the multimodal reasoning process of state-of-the-art MLLMs, and our dataset and code have been open-sourced: https://github.com/luozhongze/Multi-Physics.
LGMay 23, 2023Code
Faithful and Efficient Explanations for Neural Networks via Neural Tangent Kernel Surrogate ModelsAndrew Engel, Zhichao Wang, Natalie S. Frank et al.
A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer. Open source software allowing users to efficiently calculate kernel functions in the PyTorch framework is available (https://github.com/pnnl/projection\_ntk).
AIDec 29, 2025
MindWatcher: Toward Smarter Multimodal Tool-Integrated ReasoningJiawei Chen, Xintian Shen, Lihao Zheng et al.
Traditional workflow-based agents exhibit limited intelligence when addressing real-world problems requiring tool invocation. Tool-integrated reasoning (TIR) agents capable of autonomous reasoning and tool invocation are rapidly emerging as a powerful approach for complex decision-making tasks involving multi-step interactions with external environments. In this work, we introduce MindWatcher, a TIR agent integrating interleaved thinking and multimodal chain-of-thought (CoT) reasoning. MindWatcher can autonomously decide whether and how to invoke diverse tools and coordinate their use, without relying on human prompts or workflows. The interleaved thinking paradigm enables the model to switch between thinking and tool calling at any intermediate stage, while its multimodal CoT capability allows manipulation of images during reasoning to yield more precise search results. We implement automated data auditing and evaluation pipelines, complemented by manually curated high-quality datasets for training, and we construct a benchmark, called MindWatcher-Evaluate Bench (MWE-Bench), to evaluate its performance. MindWatcher is equipped with a comprehensive suite of auxiliary reasoning tools, enabling it to address broad-domain multimodal problems. A large-scale, high-quality local image retrieval database, covering eight categories including cars, animals, and plants, endows model with robust object recognition despite its small size. Finally, we design a more efficient training infrastructure for MindWatcher, enhancing training speed and hardware utilization. Experiments not only demonstrate that MindWatcher matches or exceeds the performance of larger or more recent models through superior tool invocation, but also uncover critical insights for agent training, such as the genetic inheritance phenomenon in agentic RL.
CVMar 15
Walking Further: Semantic-aware Multimodal Gait Recognition Under Long-Range ConditionsZhiyang Lu, Wen Jiang, Tianren Wu et al.
Gait recognition is an emerging biometric technology that enables non-intrusive and hard-to-spoof human identification. However, most existing methods are confined to short-range, unimodal settings and fail to generalize to long-range and cross-distance scenarios under real-world conditions. To address this gap, we present \textbf{LRGait}, the first LiDAR-Camera multimodal benchmark designed for robust long-range gait recognition across diverse outdoor distances and environments. We further propose \textbf{EMGaitNet}, an end-to-end framework tailored for long-range multimodal gait recognition. To bridge the modality gap between RGB images and point clouds, we introduce a semantic-guided fusion pipeline. A CLIP-based Semantic Mining (SeMi) module first extracts human body-part-aware semantic cues, which are then employed to align 2D and 3D features via a Semantic-Guided Alignment (SGA) module within a unified embedding space. A Symmetric Cross-Attention Fusion (SCAF) module hierarchically integrates visual contours and 3D geometric features, and a Spatio-Temporal (ST) module captures global gait dynamics. Extensive experiments on various gait datasets validate the effectiveness of our method.
MLFeb 15, 2024
Nonlinear spiked covariance matrices and signal propagation in deep neural networksZhichao Wang, Denny Wu, Zhou Fan
Many recent works have studied the eigenvalue spectrum of the Conjugate Kernel (CK) defined by the nonlinear feature map of a feedforward neural network. However, existing results only establish weak convergence of the empirical eigenvalue distribution, and fall short of providing precise quantitative characterizations of the ''spike'' eigenvalues and eigenvectors that often capture the low-dimensional signal structure of the learning problem. In this work, we characterize these signal eigenvalues and eigenvectors for a nonlinear version of the spiked covariance model, including the CK as a special case. Using this general result, we give a quantitative description of how spiked eigenstructure in the input data propagates through the hidden layers of a neural network with random weights. As a second application, we study a simple regime of representation learning where the weight matrix develops a rank-one signal component over training and characterize the alignment of the target function with the spike eigenvector of the CK on test data.
LGDec 28, 2024
Federated Unlearning with Gradient Descent and Conflict MitigationZibin Pan, Zhichao Wang, Chi Li et al.
Federated Learning (FL) has received much attention in recent years. However, although clients are not required to share their data in FL, the global model itself can implicitly remember clients' local data. Therefore, it's necessary to effectively remove the target client's data from the FL global model to ease the risk of privacy leakage and implement ``the right to be forgotten". Federated Unlearning (FU) has been considered a promising way to remove data without full retraining. But the model utility easily suffers significant reduction during unlearning due to the gradient conflicts. Furthermore, when conducting the post-training to recover the model utility, the model is prone to move back and revert what has already been unlearned. To address these issues, we propose Federated Unlearning with Orthogonal Steepest Descent (FedOSD). We first design an unlearning Cross-Entropy loss to overcome the convergence issue of the gradient ascent. A steepest descent direction for unlearning is then calculated in the condition of being non-conflicting with other clients' gradients and closest to the target client's gradient. This benefits to efficiently unlearn and mitigate the model utility reduction. After unlearning, we recover the model utility by maintaining the achievement of unlearning. Finally, extensive experiments in several FL scenarios verify that FedOSD outperforms the SOTA FU algorithms in terms of unlearning and model utility.
CLApr 8
Adaptive Prompt Structure Factorization: A Framework for Self-Discovering and Optimizing Compositional Prompt ProgramsHaoyue Liu, Zhichao Wang, Yongxin Guo et al.
Automated prompt optimization is crucial for eliciting reliable reasoning from large language models (LLMs), yet most API-only prompt optimizers iteratively edit monolithic prompts, coupling components and obscuring credit assignment, limiting controllability, and wasting tokens. We propose Adaptive Prompt Structure Factorization (aPSF), an API-only framework (prompt-in/text-out; no access to model internals) that uses an Architect model to discover task-specific prompt structures as semantic factors. aPSF then performs interventional, single-factor updates: interventional factor-level scoring estimates each factor's marginal contribution via validation-performance changes, and error-guided factor selection routes updates to the current dominant failure source for more sample-efficient optimization. Across multiple advanced reasoning benchmarks, aPSF outperforms strong baselines including principle-aware optimizers, improving accuracy by up to +2.16 percentage points on average, and reduces optimization cost by 45--87% tokens on MultiArith while reaching peak validation in 1 step.
CLOct 28, 2024
UFT: Unifying Fine-Tuning of SFT and RLHF/DPO/UNA through a Generalized Implicit Reward FunctionZhichao Wang, Bin Bi, Zixu Zhu et al.
By pretraining on trillions of tokens, an LLM gains the capability of text generation. However, to enhance its utility and reduce potential harm, SFT and alignment are applied sequentially to the pretrained model. Due to the differing nature and objective functions of SFT and alignment, catastrophic forgetting has become a significant issue. To address this, we introduce Unified Fine-Tuning (UFT), which integrates SFT and alignment into a single training stage using the same objective and loss functions through an implicit reward function. Our experimental results demonstrate that UFT outperforms SFT on instruction-tuning data alone. Moreover, when combining instruction-tuning data with alignment data, UFT effectively prevents catastrophic forgetting across these two stages and shows a clear advantage over sequentially applying SFT and alignment. This is evident in the significant improvements observed in the \textbf{ifeval} task for instruction-following and the \textbf{truthful-qa} task for factuality. The proposed general fine-tuning framework UFT establishes an effective and efficient pretraining-UFT paradigm for LLM training.
MLJun 4, 2025
Models of Heavy-Tailed Mechanistic UniversalityLiam Hodgkinson, Zhichao Wang, Michael W. Mahoney
Recent theoretical and empirical successes in deep learning, including the celebrated neural scaling laws, are punctuated by the observation that many objects of interest tend to exhibit some form of heavy-tailed or power law behavior. In particular, the prevalence of heavy-tailed spectral densities in Jacobians, Hessians, and weight matrices has led to the introduction of the concept of heavy-tailed mechanistic universality (HT-MU). Multiple lines of empirical evidence suggest a robust correlation between heavy-tailed metrics and model performance, indicating that HT-MU may be a fundamental aspect of deep learning efficacy. Here, we propose a general family of random matrix models -- the high-temperature Marchenko-Pastur (HTMP) ensemble -- to explore attributes that give rise to heavy-tailed behavior in trained neural networks. Under this model, spectral densities with power laws on (upper and lower) tails arise through a combination of three independent factors (complex correlation structures in the data; reduced temperatures during training; and reduced eigenvector entropy), appearing as an implicit bias in the model structure, and they can be controlled with an "eigenvalue repulsion" parameter. Implications of our model on other appearances of heavy tails, including neural scaling laws, optimizer trajectories, and the five-plus-one phases of neural network training, are discussed.
CLFeb 13, 2025
Diversity Enhances an LLM's Performance in RAG and Long-context TaskZhichao Wang, Bin Bi, Yanqi Luo et al.
The rapid advancements in large language models (LLMs) have highlighted the challenge of context window limitations, primarily due to the quadratic time complexity of the self-attention mechanism (\(O(N^2)\), where \(N\) denotes the context window length). This constraint impacts tasks such as retrieval-augmented generation (RAG) in question answering (Q\&A) and long context summarization. A common approach involves selecting content with the highest similarity to the query; however, this often leads to redundancy and the exclusion of diverse yet relevant information. Building on principles from Maximal Marginal Relevance (MMR) and Farthest Point Sampling (FPS), we integrate diversity into the content selection process. Our findings reveal that incorporating diversity substantially increases the recall of selecting relevant sentences or chunks before LLM-based Q\&A and summarization. These results highlight the importance of maintaining diversity in future LLM applications to further improve summarization and Q\&A outcomes.
LGDec 18, 2024
Optimal Exact Recovery in Semi-Supervised Learning: A Study of Spectral Methods and Graph Convolutional NetworksHai-Xiao Wang, Zhichao Wang
We delve into the challenge of semi-supervised node classification on the Contextual Stochastic Block Model (CSBM) dataset. Here, nodes from the two-cluster Stochastic Block Model (SBM) are coupled with feature vectors, which are derived from a Gaussian Mixture Model (GMM) that corresponds to their respective node labels. With only a subset of the CSBM node labels accessible for training, our primary objective becomes the accurate classification of the remaining nodes. Venturing into the transductive learning landscape, we, for the first time, pinpoint the information-theoretical threshold for the exact recovery of all test nodes in CSBM. Concurrently, we design an optimal spectral estimator inspired by Principal Component Analysis (PCA) with the training labels and essential data from both the adjacency matrix and feature vectors. We also evaluate the efficacy of graph ridge regression and Graph Convolutional Networks (GCN) on this synthetic dataset. Our findings underscore that graph ridge regression and GCN possess the ability to achieve the information threshold of exact recovery in a manner akin to the optimal estimator when using the optimal weighted self-loops. This highlights the potential role of feature learning in augmenting the proficiency of GCN, especially in the realm of semi-supervised learning.
LGOct 26, 2024
FedMABA: Towards Fair Federated Learning through Multi-Armed Bandits AllocationZhichao Wang, Lin Wang, Yongxin Guo et al.
The increasing concern for data privacy has driven the rapid development of federated learning (FL), a privacy-preserving collaborative paradigm. However, the statistical heterogeneity among clients in FL results in inconsistent performance of the server model across various clients. Server model may show favoritism towards certain clients while performing poorly for others, heightening the challenge of fairness. In this paper, we reconsider the inconsistency in client performance distribution and introduce the concept of adversarial multi-armed bandit to optimize the proposed objective with explicit constraints on performance disparities. Practically, we propose a novel multi-armed bandit-based allocation FL algorithm (FedMABA) to mitigate performance unfairness among diverse clients with different data distributions. Extensive experiments, in different Non-I.I.D. scenarios, demonstrate the exceptional performance of FedMABA in enhancing fairness.
LGOct 19, 2024
GNNRL-Smoothing: A Prior-Free Reinforcement Learning Model for Mesh SmoothingZhichao Wang, Xinhai Chen, Chunye Gong et al.
Mesh smoothing methods can enhance mesh quality by eliminating distorted elements, leading to improved convergence in simulations. To balance the efficiency and robustness of traditional mesh smoothing process, previous approaches have employed supervised learning and reinforcement learning to train intelligent smoothing models. However, these methods heavily rely on labeled dataset or prior knowledge to guide the models' learning. Furthermore, their limited capacity to enhance mesh connectivity often restricts the effectiveness of smoothing. In this paper, we first systematically analyze the learning mechanisms of recent intelligent smoothing methods and propose a prior-free reinforcement learning model for intelligent mesh smoothing. Our proposed model integrates graph neural networks with reinforcement learning to implement an intelligent node smoothing agent and introduces, for the first time, a mesh connectivity improvement agent. We formalize mesh optimization as a Markov Decision Process and successfully train both agents using Twin Delayed Deep Deterministic Policy Gradient and Double Dueling Deep Q-Network in the absence of any prior data or knowledge. We verified the proposed model on both 2D and 3D meshes. Experimental results demonstrate that our model achieves feature-preserving smoothing on complex 3D surface meshes. It also achieves state-of-the-art results among intelligent smoothing methods on 2D meshes and is 7.16 times faster than traditional optimization-based smoothing methods. Moreover, the connectivity improvement agent can effectively enhance the quality distribution of the mesh.
RONov 25, 2025
ArtiBench and ArtiBrain: Benchmarking Generalizable Vision-Language Articulated Object ManipulationYuhan Wu, Tiantian Wei, Shuo Wang et al.
Interactive articulated manipulation requires long-horizon, multi-step interactions with appliances while maintaining physical consistency. Existing vision-language and diffusion-based policies struggle to generalize across parts, instances, and categories. We first introduce ArtiBench, a five-level benchmark covering kitchen, storage, office, and tool environments. ArtiBench enables structured evaluation from cross-part and cross-instance variation to long-horizon multi-object tasks, revealing the core generalization challenges of articulated object manipulation. Building on this benchmark, we propose ArtiBrain, a modular framework that unifies high-level reasoning with adaptive low-level control. ArtiBrain uses a VLM-based Task Reasoner (GPT-4.1) to decompose and validate subgoals, and employs a Hybrid Controller that combines geometry-aware keyframe execution with affordance-guided diffusion for precise and interpretable manipulation. An Affordance Memory Bank continually accumulates successful execution episodes and propagates part-level actionable affordances to unseen articulated parts and configurations. Extensive experiments on ArtiBench show that our ArtiBrain significantly outperforms state-of-the-art multimodal and diffusion-based methods in robustness and generalization. Code and dataset will be released upon acceptance.
LGOct 27, 2025
GIFT: Group-relative Implicit Fine Tuning Integrates GRPO with DPO and UNAZhichao Wang
I propose \textbf{G}roup-relative \textbf{I}mplicit \textbf{F}ine \textbf{T}uning (GIFT), a novel reinforcement learning framework for aligning LLMs. Instead of directly maximizing cumulative rewards like PPO or GRPO, GIFT minimizes the discrepancy between implicit and explicit reward models. It combines three key ideas: (1) the online multi-response generation and normalization of GRPO, (2) the implicit reward formulation of DPO, and (3) the implicit-explicit reward alignment principle of UNA. By jointly normalizing the implicit and explicit rewards, GIFT eliminates an otherwise intractable term that prevents effective use of implicit rewards. This normalization transforms the complex reward maximization objective into a simple mean squared error (MSE) loss between the normalized reward functions, converting a non-convex optimization problem into a convex, stable, and analytically differentiable formulation. Unlike offline methods such as DPO and UNA, GIFT remains on-policy and thus retains exploration capability. Compared to GRPO, it requires fewer hyperparameters, converges faster, and generalizes better with significantly reduced training overfitting. Empirically, GIFT achieves superior reasoning and alignment performance on mathematical benchmarks while remaining computationally efficient.
CLOct 16, 2025
RLSR: Reinforcement Learning with Supervised Reward Outperforms SFT in Instruction FollowingZhichao Wang, Andy Wong, Ruslan Belkin
After the pretraining stage of LLMs, techniques such as SFT, RLHF, RLVR, and RFT are applied to enhance instruction-following ability, mitigate undesired responses, improve reasoning capability and enable efficient domain adaptation with minimal data. SFT relies on the next-token prediction objective to strengthen instruction following in a base model using a large corpus of human-labeled responses. In contrast, RFT employs a RL-based approach to adapt fine-tuned reasoning models to specific domains with limited supervision. Inspired by RFT, we propose replacing SFT with RLSR to leverage the extensive SFT dataset in an RL framework, thereby improving the base model's instruction-following ability. In RLSR, the base model generates multiple responses for each prompt, and reward scores are computed as the cosine similarity in the semantic embedding space between the generated and human-labeled responses. RLSR can be utilized in multiple ways. It can directly replace SFT, achieving superior performance on instruction-following benchmarks-for example, RLSR (SB) on Qwen-7B (INFINITY) achieved an AlpacaEval win rate of 26.34%, surpassing SFT's 21.01%. Furthermore, combining SFT and RLSR further enhances downstream task performance; Qwen-7B (INFINITY) achieved a win rate of 30.73% when trained with SFT + RLSR.
CLOct 12, 2025
Review of Inference-Time Scaling Strategies: Reasoning, Search and RAGZhichao Wang, Cheng Wan, Dong Nie
The performance gains of LLMs have historically been driven by scaling up model size and training data. However, the rapidly diminishing availability of high-quality training data is introducing a fundamental bottleneck, shifting the focus of research toward inference-time scaling. This paradigm uses additional computation at the time of deployment to substantially improve LLM performance on downstream tasks without costly model re-training. This review systematically surveys the diverse techniques contributing to this new era of inference-time scaling, organizing the rapidly evolving field into two comprehensive perspectives: Output-focused and Input-focused methods. Output-focused techniques encompass complex, multi-step generation strategies, including reasoning (e.g., CoT, ToT, ReAct), various search and decoding methods (e.g., MCTS, beam search), training for long CoT (e.g., RLVR, GRPO), and model ensemble methods. Input-focused techniques are primarily categorized by few-shot and RAG, with RAG as the central focus. The RAG section is further detailed through a structured examination of query expansion, data, retrieval and reranker, LLM generation methods, and multi-modal RAG.
BMAug 12, 2025
Pep2Prob Benchmark: Predicting Fragment Ion Probability for MS$^2$-based ProteomicsHao Xu, Zhichao Wang, Shengqi Sang et al.
Proteins perform nearly all cellular functions and constitute most drug targets, making their analysis fundamental to understanding human biology in health and disease. Tandem mass spectrometry (MS$^2$) is the major analytical technique in proteomics that identifies peptides by ionizing them, fragmenting them, and using the resulting mass spectra to identify and quantify proteins in biological samples. In MS$^2$ analysis, peptide fragment ion probability prediction plays a critical role, enhancing the accuracy of peptide identification from mass spectra as a complement to the intensity information. Current approaches rely on global statistics of fragmentation, which assumes that a fragment's probability is uniform across all peptides. Nevertheless, this assumption is oversimplified from a biochemical principle point of view and limits accurate prediction. To address this gap, we present Pep2Prob, the first comprehensive dataset and benchmark designed for peptide-specific fragment ion probability prediction. The proposed dataset contains fragment ion probability statistics for 608,780 unique precursors (each precursor is a pair of peptide sequence and charge state), summarized from more than 183 million high-quality, high-resolution, HCD MS$^2$ spectra with validated peptide assignments and fragmentation annotations. We establish baseline performance using simple statistical rules and learning-based methods, and find that models leveraging peptide-specific information significantly outperform previous methods using only global fragmentation statistics. Furthermore, performance across benchmark models with increasing capacities suggests that the peptide-fragmentation relationship exhibits complex nonlinearities requiring sophisticated machine learning approaches.
AIAug 12, 2025
UGM2N: An Unsupervised and Generalizable Mesh Movement Network via M-Uniform LossZhichao Wang, Xinhai Chen, Qinglin Wang et al.
Partial differential equations (PDEs) form the mathematical foundation for modeling physical systems in science and engineering, where numerical solutions demand rigorous accuracy-efficiency tradeoffs. Mesh movement techniques address this challenge by dynamically relocating mesh nodes to rapidly-varying regions, enhancing both simulation accuracy and computational efficiency. However, traditional approaches suffer from high computational complexity and geometric inflexibility, limiting their applicability, and existing supervised learning-based approaches face challenges in zero-shot generalization across diverse PDEs and mesh topologies.In this paper, we present an Unsupervised and Generalizable Mesh Movement Network (UGM2N). We first introduce unsupervised mesh adaptation through localized geometric feature learning, eliminating the dependency on pre-adapted meshes. We then develop a physics-constrained loss function, M-Uniform loss, that enforces mesh equidistribution at the nodal level.Experimental results demonstrate that the proposed network exhibits equation-agnostic generalization and geometric independence in efficient mesh adaptation. It demonstrates consistent superiority over existing methods, including robust performance across diverse PDEs and mesh geometries, scalability to multi-scale resolutions and guaranteed error reduction without mesh tangling.
LGJun 12, 2025
Generalization Bound of Gradient Flow through Training Trajectory and Data-dependent KernelYilan Chen, Zhichao Wang, Wei Huang et al.
Gradient-based optimization methods have shown remarkable empirical success, yet their theoretical generalization properties remain only partially understood. In this paper, we establish a generalization bound for gradient flow that aligns with the classical Rademacher complexity bounds for kernel methods-specifically those based on the RKHS norm and kernel trace-through a data-dependent kernel called the loss path kernel (LPK). Unlike static kernels such as NTK, the LPK captures the entire training trajectory, adapting to both data and optimization dynamics, leading to tighter and more informative generalization guarantees. Moreover, the bound highlights how the norm of the training loss gradients along the optimization trajectory influences the final generalization performance. The key technical ingredients in our proof combine stability analysis of gradient flow with uniform convergence via Rademacher complexity. Our bound recovers existing kernel regression bounds for overparameterized neural networks and shows the feature learning capability of neural networks compared to kernel methods. Numerical experiments on real-world datasets validate that our bounds correlate well with the true generalization gap.
CLJun 25, 2024
PAFT: A Parallel Training Paradigm for Effective LLM Fine-TuningShiva Kumar Pentyala, Zhichao Wang, Bin Bi et al.
Large language models (LLMs) have shown remarkable abilities in diverse natural language processing (NLP) tasks. The LLMs generally undergo supervised fine-tuning (SFT) followed by preference alignment to be usable in downstream applications. However, this sequential training pipeline leads to alignment tax that degrades the LLM performance. This paper introduces PAFT, a new PArallel training paradigm for effective LLM Fine-Tuning, which independently performs SFT and preference alignment (e.g., DPO and ORPO, etc.) with the same pre-trained model on respective datasets. The model produced by SFT and the model from preference alignment are then merged into a final model by parameter fusing for use in downstream applications. This work reveals important findings that preference alignment like DPO naturally results in a sparse model while SFT leads to a natural dense model which needs to be sparsified for effective model merging. This paper introduces an effective interference resolution which reduces the redundancy by sparsifying the delta parameters. The LLM resulted from the new training paradigm achieved Rank #1 on the HuggingFace Open LLM Leaderboard. Comprehensive evaluation shows the effectiveness of the parallel training paradigm.
LGJun 17, 2024
Save It All: Enabling Full Parameter Tuning for Federated Large Language Models via Cycle Block Gradient DescentLin Wang, Zhichao Wang, Xiaoying Tang
The advent of large language models (LLMs) has revolutionized the deep learning paradigm, yielding impressive results across a wide array of tasks. However, the pre-training or fine-tuning of LLMs within a federated learning (FL) framework poses substantial challenges, including considerable computational and memory resource demands, as well as communication bottlenecks between servers and clients. Existing solutions either make the unrealistic assumption that the entire model is exchanged for training, or apply parameter-effective fine-tuning methods from centralized learning to train LLMs in FL which tend to underperform during training or fine-tuning stages due to the limited search subspace of parameter updating. In this paper, we introduce a novel method for the efficient training and fine-tuning of LLMs in FL, with minimal resource consumption. Our approach, termed FedCyBGD, utilizes Cycle Block Gradient Descent to periodically update the model. In particular, we design a compression scheme for FedCyBGD, aiming to further decrease the model download cost. It enables full parameter training in FL with only selected block updates and uploads, thereby reducing communication, computation, and memory costs. Our method achieves state-of-the-art performance for FL LLM training, while significantly reducing associated costs. Codes are provided here.
IRFeb 5, 2022
Causal Disentanglement for Semantics-Aware Intent Learning in RecommendationXiangmeng Wang, Qian Li, Dianer Yu et al.
Traditional recommendation models trained on observational interaction data have generated large impacts in a wide range of applications, it faces bias problems that cover users' true intent and thus deteriorate the recommendation effectiveness. Existing methods tracks this problem as eliminating bias for the robust recommendation, e.g., by re-weighting training samples or learning disentangled representation. The disentangled representation methods as the state-of-the-art eliminate bias through revealing cause-effect of the bias generation. However, how to design the semantics-aware and unbiased representation for users true intents is largely unexplored. To bridge the gap, we are the first to propose an unbiased and semantics-aware disentanglement learning called CaDSI (Causal Disentanglement for Semantics-Aware Intent Learning) from a causal perspective. Particularly, CaDSI explicitly models the causal relations underlying recommendation task, and thus produces semantics-aware representations via disentangling users true intents aware of specific item context. Moreover, the causal intervention mechanism is designed to eliminate confounding bias stemmed from context information, which further to align the semantics-aware representation with users true intent. Extensive experiments and case studies both validate the robustness and interpretability of our proposed model.
ASJan 2, 2022
IQDUBBING: Prosody modeling based on discrete self-supervised speech representation for expressive voice conversionWendong Gan, Bolong Wen, Ying Yan et al.
Prosody modeling is important, but still challenging in expressive voice conversion. As prosody is difficult to model, and other factors, e.g., speaker, environment and content, which are entangled with prosody in speech, should be removed in prosody modeling. In this paper, we present IQDubbing to solve this problem for expressive voice conversion. To model prosody, we leverage the recent advances in discrete self-supervised speech representation (DSSR). Specifically, prosody vector is first extracted from pre-trained VQ-Wav2Vec model, where rich prosody information is embedded while most speaker and environment information are removed effectively by quantization. To further filter out the redundant information except prosody, such as content and partial speaker information, we propose two kinds of prosody filters to sample prosody from the prosody vector. Experiments show that IQDubbing is superior to baseline and comparison systems in terms of speech quality while maintaining prosody consistency and speaker similarity.
LGDec 27, 2021
Deep Treatment-Adaptive Network for Causal InferenceQian Li, Zhichao Wang, Shaowu Liu et al.
Causal inference is capable of estimating the treatment effect (i.e., the causal effect of treatment on the outcome) to benefit the decision making in various domains. One fundamental challenge in this research is that the treatment assignment bias in observational data. To increase the validity of observational studies on causal inference, representation based methods as the state-of-the-art have demonstrated the superior performance of treatment effect estimation. Most representation based methods assume all observed covariates are pre-treatment (i.e., not affected by the treatment), and learn a balanced representation from these observed covariates for estimating treatment effect. Unfortunately, this assumption is often too strict a requirement in practice, as some covariates are changed by doing an intervention on treatment (i.e., post-treatment). By contrast, the balanced representation learned from unchanged covariates thus biases the treatment effect estimation.
ASDec 23, 2021
Multi-speaker Multi-style Text-to-speech Synthesis With Single-speaker Single-style Training Data ScenariosQicong Xie, Tao Li, Xinsheng Wang et al.
In the existing cross-speaker style transfer task, a source speaker with multi-style recordings is necessary to provide the style for a target speaker. However, it is hard for one speaker to express all expected styles. In this paper, a more general task, which is to produce expressive speech by combining any styles and timbres from a multi-speaker corpus in which each speaker has a unique style, is proposed. To realize this task, a novel method is proposed. This method is a Tacotron2-based framework but with a fine-grained text-based prosody predicting module and a speaker identity controller. Experiments demonstrate that the proposed method can successfully express a style of one speaker with the timber of another speaker bypassing the dependency on a single speaker's multi-style corpus. Moreover, the explicit prosody features used in the prosody predicting module can increase the diversity of synthetic speech by adjusting the value of prosody features.
ASNov 24, 2021
One-shot Voice Conversion For Style Transfer Based On Speaker AdaptationZhichao Wang, Qicong Xie, Tao Li et al.
One-shot style transfer is a challenging task, since training on one utterance makes model extremely easy to over-fit to training data and causes low speaker similarity and lack of expressiveness. In this paper, we build on the recognition-synthesis framework and propose a one-shot voice conversion approach for style transfer based on speaker adaptation. First, a speaker normalization module is adopted to remove speaker-related information in bottleneck features extracted by ASR. Second, we adopt weight regularization in the adaptation process to prevent over-fitting caused by using only one utterance from target speaker as training data. Finally, to comprehensively decouple the speech factors, i.e., content, speaker, style, and transfer source style to the target, a prosody module is used to extract prosody representation. Experiments show that our approach is superior to the state-of-the-art one-shot VC systems in terms of style and speaker similarity; additionally, our approach also maintains good speech quality.