Tiantian Liu

Yu Fang, Jiancheng Liu, Mingrui Zhang et al.

Differentiable physics enables efficient gradient-based optimizations of neural network (NN) controllers. However, existing work typically only delivers NN controllers with limited capability and generalizability. We present a practical learning framework that outputs unified NN controllers capable of tasks with significantly improved complexity and diversity. To systematically improve training robustness and efficiency, we investigated a suite of improvements over the baseline approach, including periodic activation functions, and tailored loss functions. In addition, we find our adoption of batching and an Adam optimizer effective in training complex locomotion tasks. We evaluate our framework on differentiable mass-spring and material point method (MPM) simulations, with challenging locomotion tasks and multiple robot designs. Experiments show that our learning framework, based on differentiable physics, delivers better results than reinforcement learning and converges much faster. We demonstrate that users can interactively control soft robot locomotion and switch among multiple goals with specified velocity, height, and direction instructions using a unified NN controller trained in our system. Code is available at https://github.com/erizmr/Complex-locomotion-skill-learning-via-differentiable-physics.

Tiantian Liu, Minxin Chen, Benzhuo Lu

Recent developments for mathematical modeling and numerical simulation of biomolecular systems raise new demands for qualified, stable, and efficient surface meshing, especially in implicit-solvent modeling. In our former work, we have developed an algorithm for manifold triangular meshing for large Gaussian molecular surfaces, TMSmesh. In this paper, we present new algorithms to greatly improve the meshing efficiency and qualities, and implement into a new program version, TMSmesh 2.0. In TMSmesh 2.0, in the first step, a new adaptive partition and estimation algorithm is proposed to locate the cubes in which the surface are approximated by piecewise trilinear surface with controllable precision. Then, the piecewise trilinear surface is divided into single valued pieces by tracing along the fold curves, which ensures that the generated surface meshes are manifolds. Numerical test results show that TMSmesh 2.0 is capable of handling arbitrary sizes of molecules and achieves ten to hundreds of times speedup over the previous algorithm. The result surface meshes are manifolds and can be directly used in boundary element method (BEM) and finite element method (FEM) simulation. The binary version of TMSmesh 2.0 is downloadable at the web page http://lsec.cc.ac.cn/~lubz/Meshing.html.

Gongshu Wang, Ning Jiang, Yunxiao Ma et al.

Structural magnetic resonance imaging (sMRI) has shown great clinical value and has been widely used in deep learning (DL) based computer-aided brain disease diagnosis. Previous approaches focused on local shapes and textures in sMRI that may be significant only within a particular domain. The learned representations are likely to contain spurious information and have a poor generalization ability in other diseases and datasets. To facilitate capturing meaningful and robust features, it is necessary to first comprehensively understand the intrinsic pattern of the brain that is not restricted within a single data/task domain. Considering that the brain is a complex connectome of interlinked neurons, the connectional properties in the brain have strong biological significance, which is shared across multiple domains and covers most pathological information. In this work, we propose a connectional style contextual representation learning model (CS-CRL) to capture the intrinsic pattern of the brain, used for multiple brain disease diagnosis. Specifically, it has a vision transformer (ViT) encoder and leverages mask reconstruction as the proxy task and Gram matrices to guide the representation of connectional information. It facilitates the capture of global context and the aggregation of features with biological plausibility. The results indicate that CS-CRL achieves superior accuracy in multiple brain disease diagnosis tasks across six datasets and three diseases and outperforms state-of-the-art models. Furthermore, we demonstrate that CS-CRL captures more brain-network-like properties, better aggregates features, is easier to optimize and is more robust to noise, which explains its superiority in theory. Our source code will be released soon.

Yu Zhang, Xing Shen, Kemeng Huang et al.

Incremental Potential Contact (IPC) guarantees intersection-free simulation but suffers from high computational costs due to the expensive Hessian assembly and linear solves required by Newton's method. While Preconditioned Nonlinear Conjugate Gradient (PNCG) avoids Hessian assembly, it has historically struggled with poor convergence in stiff, contact-rich scenarios due to the lack of effective preconditioners; simple Jacobi preconditioners fail to capture the global coupling, while advanced hierarchy-based preconditioners like Multilevel Additive Schwarz (MAS) are computationally prohibitive to rebuild at every nonlinear iteration. We present MAS-PNCG, a method that unlocks the power of hierarchical preconditioning for nonlinear optimization. Our key technical innovation is a Sparse-Input Woodbury update algorithm that incrementally adapts the fine-level MAS components to rapidly evolving contact sets. This bypasses the need for full preconditioner rebuilds, reducing maintenance cost to near-zero while capturing the complex spectral properties of the contact system. Furthermore, we replace heuristic PNCG search directions with a Hessian-aware 2D subspace minimization that optimally combines the preconditioned gradient and previous direction. We also apply a fast per-subdomain conservative CCD method that ensures penetration-free trajectories while avoiding overly restrictive global step sizes. Experiments demonstrate that our MAS-PNCG outperforms state-of-the-art Newton-PCG solvers, GIPC and StiffGIPC, both preconditioned with MAS up to 5.66$\times$ and 2.07$\times$ respectively.

Shih-Yu Lai, Sung-Han Tien, Jui-I Huang et al.

Differentiable simulation of soft bodies is a foundation for system identification, trajectory optimization, and Real2Sim transfer. Yet, existing methods such as the differentiable Projective Dynamics (DiffPD) struggle when faced with heterogeneous materials with extreme stiffness contrasts, hyperelasticity under large deformations, and contact-rich interactions, which are common scenarios in the real world. We present DiffPhD, a unified GPU-accelerated differentiable Projective Dynamics framework for heterogeneous materials that tackles these intertwined challenges simultaneously. Our key insight is a careful integration of: (i) stiffness-aware projective weights to embed heterogeneity into the global system; (ii) trust-region eigenvalue filtering lifted to the backward pass for stable hyperelastic gradients and a type-II Anderson Acceleration scheme with dual-gate convergence to stabilize forward iteration under large stiffness contrasts; and (iii) a unified GPU pipeline that reuses a single sparse factor across forward, backward, and contact computations, with stiffness-amplified Rayleigh damping folded into the same factor for heterogeneity-aware dissipation at zero recurring cost. DiffPhD achieves strict gradient accuracy while delivering up to an order-of-magnitude speedup over prior differentiable solvers on heterogeneous, hyperelastic, contact-rich benchmarks. Crucially, this speedup does not come at the cost of stability: DiffPhD remains convergent on stiffness contrasts up to 100x where prior PD solvers degrade. This unlocks end-to-end gradient-based optimization on regimes previously bottlenecked by either solver fragility or per-iteration cost -- shell--joint composite creatures, soft characters wielding stiff weapons, and soft-gripper robotic manipulation -- all handled within a single forward--backward pass.

Meng Wan, Benxi Tian, Jue Wang et al.

The evaluation of time series models has traditionally focused on four canonical tasks: forecasting, imputation, anomaly detection, and classification. While these tasks have driven significant progress, they primarily assess task-specific performance and do not rigorously measure whether a model captures the full generative distribution of the data. We introduce lossless compression as a new paradigm for evaluating time series models, grounded in Shannon's source coding theorem. This perspective establishes a direct equivalence between optimal compression length and the negative log-likelihood, providing a strict and unified information-theoretic criterion for modeling capacity. Then We define a standardized evaluation protocol and metrics. We further propose and open-source a comprehensive evaluation framework TSCom-Bench, which enables the rapid adaptation of time series models as backbones for lossless compression. Experiments across diverse datasets on state-of-the-art models, including TimeXer, iTransformer, and PatchTST, demonstrate that compression reveals distributional weaknesses overlooked by classic benchmarks. These findings position lossless compression as a principled task that complements and extends existing evaluation for time series modeling.

Tiantian Liu, Meng Wan, Jue Wang et al.

The start of deep neural network training is characterized by a brief yet critical phase that lasts from the beginning of the training until the accuracy reaches approximately 50\%. During this phase, disordered representations rapidly transition toward ordered structure, and we term this phase the Enlightenment Period. Through theoretical modeling based on phase transition theory and experimental validation, we reveal that applying Mixup data augmentation during this phase has a dual effect: it introduces a Gradient Interference Effect that hinders performance, while also providing a beneficial Activation Revival Effect to restore gradient updates for saturated neurons. We further demonstrate that this negative interference diminishes as the sample set size or the model parameter size increases, thereby shifting the balance between these two effects. Based on these findings, we propose three strategies that improve performance by solely adjusting the training data distribution within this brief period: the Mixup Pause Strategy for small-scale scenarios, the Alpha Boost Strategy for large-scale scenarios with underfitting, and the High-Loss Removal Strategy for tasks where Mixup is inapplicable (e.g., time series and large language models). Extensive experiments show that these strategies achieve superior performance across diverse architectures such as ViT and ResNet on datasets including CIFAR and ImageNet-1K. Ultimately, this work offers a novel perspective on enhancing model performance by strategically capitalizing on the dynamics of the brief and crucial early stages of training. Code is available at https://anonymous.4open.science/r/code-A5F1/.

Tiantian Liu, Hongwei Yao, Feng Lin et al.

Embeddings have become a cornerstone in the functionality of large language models (LLMs) due to their ability to transform text data into rich, dense numerical representations that capture semantic and syntactic properties. These embedding vector databases serve as the long-term memory of LLMs, enabling efficient handling of a wide range of natural language processing tasks. However, the surge in popularity of embedding vector databases in LLMs has been accompanied by significant concerns about privacy leakage. Embedding vector databases are particularly vulnerable to embedding inversion attacks, where adversaries can exploit the embeddings to reverse-engineer and extract sensitive information from the original text data. Existing defense mechanisms have shown limitations, often struggling to balance security with the performance of downstream tasks. To address these challenges, we introduce Eguard, a novel defense mechanism designed to mitigate embedding inversion attacks. Eguard employs a transformer-based projection network and text mutual information optimization to safeguard embeddings while preserving the utility of LLMs. Our approach significantly reduces privacy risks, protecting over 95% of tokens from inversion while maintaining high performance across downstream tasks consistent with original embeddings.

Tiantian Liu, Xiao Li, Huan Li et al.

Shortest path search is a core operation in graph-based applications, yet existing methods face important limitations. Classical algorithms such as Dijkstra's and A* become inefficient as graphs grow more complex, while index-based techniques often require substantial preprocessing and storage. Recent learning-based approaches typically focus on spatial graphs and rely on context-specific features like geographic coordinates, limiting their general applicability. We propose a versatile learning-based framework for shortest path search on generic graphs, without requiring domain-specific features. At the core of our approach is the construction of a skeleton graph that captures multi-level distance and hop information in a compact form. A Skeleton Graph Neural Network (SGNN) operates on this structure to learn node embeddings and predict distances and hop lengths between node pairs. These predictions support LSearch, a guided search algorithm that uses model-driven pruning to reduce the search space while preserving accuracy. To handle larger graphs, we introduce a hierarchical training strategy that partitions the graph into subgraphs with individually trained SGNNs. This structure enables HLSearch, an extension of our method for efficient path search across graph partitions. Experiments on five diverse real-world graphs demonstrate that our framework achieves strong performance across graph types, offering a flexible and effective solution for learning-based shortest path search.

Rui Xu, Tiantian Liu, Xinchen Ye et al.

Many deep learning based methods have been proposed for retinal vessel segmentation, however few of them focus on the connectivity of segmented vessels, which is quite important for a practical computer-aided diagnosis system on retinal images. In this paper, we propose an efficient network to address this problem. A U-shape network is enhanced by introducing a semantics-guided module, which integrates the enriched semantics information to shallow layers for guiding the network to explore more powerful features. Besides, a recursive refinement iteratively applies the same network over the previous segmentation results for progressively boosting the performance while increasing no extra network parameters. The carefully designed recursive semantics-guided network has been extensively evaluated on several public datasets. Experimental results have shown the efficiency of the proposed method.

Tiantian Liu, Yair Goldberg

Missing responses is a missing data format in which outcomes are not always observed. In this work we develop kernel machines that can handle missing responses. First, we propose a kernel machine family that uses mainly the complete cases. For the quadratic loss, we then propose a family of doubly-robust kernel machines. The proposed kernel-machine estimators can be applied to both regression and classification problems. We prove oracle inequalities for the finite-sample differences between the kernel machine risk and Bayes risk. We use these oracle inequalities to prove consistency and to calculate convergence rates. We demonstrate the performance of the two proposed kernel machine families using both a simulation study and a real-world data analysis.