arXiv subjects

Tianyi Liu

Publications and source records attributed to Tianyi Liu.

At least 73 records · Page 4Linked to original sources

arXiv2024

Self-Supervised Generative Models for Crystal Structures

Drawing inspiration from the achievements of natural language processing, we adopt self-supervised learning and utilize an equivariant graph neural network to develop a unified platform designed for training generative models capable of generating crystal structures, as well as efficiently adapting to downstream tasks in material property prediction. To mitigate the challenge of incorporating large-scale assessment on the reliability of generated structures into the training process, we utilize the generative adversarial network (GAN) with its discriminator being a cost-effective evaluator for the generated structures, resulting in notable improvements in model performance. We demonstrate the utility of our model in finding the optimal crystal structure under predefined conditions. Without reliance on properties acquired experimentally or numerically, our model further displays its capability to comprehend the mechanism of crystal structure formation through its ability to grouping chemically similar elements. Therefore, this paper extends an invitation to explore deeper into the scientific understanding of material structures through generative models, offering a fresh perspective on broadening the scope and efficacy of machine learning in material science.

cond-mat.mtrl-sci↗

arXiv2024

HardTaint: Production-Run Dynamic Taint Analysis via Selective Hardware Tracing

Dynamic taint analysis (DTA), as a fundamental analysis technique, is widely used in security, privacy, and diagnosis, etc. As DTA demands to collect and analyze massive taint data online, it suffers extremely high runtime overhead. Over the past decades, numerous attempts have been made to lower the overhead of DTA. Unfortunately, the reductions they achieved are marginal, causing DTA only applicable to the debugging/testing scenarios. In this paper, we propose and implement HardTaint, a system that can realize production-run dynamic taint tracking. HardTaint adopts a hybrid and systematic design which combines static analysis, selective hardware tracing and parallel graph processing techniques. The comprehensive evaluations demonstrate that HardTaint introduces only around 9% runtime overhead which is an order of magnitude lower than the state-of-the-arts, while without sacrificing any taint detection capability.

cs.CR↗

arXiv2024

Let Models Speak Ciphers: Multiagent Debate through Embeddings

Discussion and debate among Large Language Models (LLMs) have gained considerable attention due to their potential to enhance the reasoning ability of LLMs. Although natural language is an obvious choice for communication due to LLM's language understanding capability, the token sampling step needed when generating natural language poses a potential risk of information loss, as it uses only one token to represent the model's belief across the entire vocabulary. In this paper, we introduce a communication regime named CIPHER (Communicative Inter-Model Protocol Through Embedding Representation) to address this issue. Specifically, we remove the token sampling step from LLMs and let them communicate their beliefs across the vocabulary through the expectation of the raw transformer output embeddings. Remarkably, by deviating from natural language, CIPHER offers an advantage of encoding a broader spectrum of information without any modification to the model weights, outperforming the state-of-the-art LLM debate methods using natural language by 0.5-5.0% across five reasoning tasks and multiple open-source LLMs of varying sizes. This showcases the superiority and robustness of embeddings as an alternative "language" for communication among LLMs. We anticipate that CIPHER will inspire further exploration for the design of interactions within LLM agent systems, offering a new direction that could significantly influence future developments in the field.

cs.CL↗

arXiv2023

Bayesian Stochastic Gradient Descent for Stochastic Optimization with Streaming Input Data

We consider stochastic optimization under distributional uncertainty, where the unknown distributional parameter is estimated from streaming data that arrive sequentially over time. Moreover, data may depend on the decision of the time when they are generated. For both decision-independent and decision-dependent uncertainties, we propose an approach to jointly estimate the distributional parameter via Bayesian posterior distribution and update the decision by applying stochastic gradient descent on the Bayesian average of the objective function. Our approach converges asymptotically over time and achieves the convergence rates of classical SGD in the decision-independent case. We demonstrate the empirical performance of our approach on both synthetic test problems and a classical newsvendor problem.

math.OC↗

arXiv2023

LEMON: Lossless model expansion

Scaling of deep neural networks, especially Transformers, is pivotal for their surging performance and has further led to the emergence of sophisticated reasoning capabilities in foundation models. Such scaling generally requires training large models from scratch with random initialization, failing to leverage the knowledge acquired by their smaller counterparts, which are already resource-intensive to obtain. To tackle this inefficiency, we present $\textbf{L}$ossl$\textbf{E}$ss $\textbf{MO}$del Expansio$\textbf{N}$ (LEMON), a recipe to initialize scaled models using the weights of their smaller but pre-trained counterparts. This is followed by model training with an optimized learning rate scheduler tailored explicitly for the scaled models, substantially reducing the training time compared to training from scratch. Notably, LEMON is versatile, ensuring compatibility with various network structures, including models like Vision Transformers and BERT. Our empirical results demonstrate that LEMON reduces computational costs by 56.7% for Vision Transformers and 33.2% for BERT when compared to training from scratch.

cs.LG↗

arXiv2023

Bitstream-Corrupted Video Recovery: A Novel Benchmark Dataset and Method

The past decade has witnessed great strides in video recovery by specialist technologies, like video inpainting, completion, and error concealment. However, they typically simulate the missing content by manual-designed error masks, thus failing to fill in the realistic video loss in video communication (e.g., telepresence, live streaming, and internet video) and multimedia forensics. To address this, we introduce the bitstream-corrupted video (BSCV) benchmark, the first benchmark dataset with more than 28,000 video clips, which can be used for bitstream-corrupted video recovery in the real world. The BSCV is a collection of 1) a proposed three-parameter corruption model for video bitstream, 2) a large-scale dataset containing rich error patterns, multiple corruption levels, and flexible dataset branches, and 3) a plug-and-play module in video recovery framework that serves as a benchmark. We evaluate state-of-the-art video inpainting methods on the BSCV dataset, demonstrating existing approaches' limitations and our framework's advantages in solving the bitstream-corrupted video recovery problem. The benchmark and dataset are released at https://github.com/LIUTIGHE/BSCV-Dataset.

cs.CV↗

arXiv2023

Taxonomy-Structured Domain Adaptation

Domain adaptation aims to mitigate distribution shifts among different domains. However, traditional formulations are mostly limited to categorical domains, greatly simplifying nuanced domain relationships in the real world. In this work, we tackle a generalization with taxonomy-structured domains, which formalizes domains with nested, hierarchical similarity structures such as animal species and product catalogs. We build on the classic adversarial framework and introduce a novel taxonomist, which competes with the adversarial discriminator to preserve the taxonomy information. The equilibrium recovers the classic adversarial domain adaptation's solution if given a non-informative domain taxonomy (e.g., a flat taxonomy where all leaf nodes connect to the root node) while yielding non-trivial results with other taxonomies. Empirically, our method achieves state-of-the-art performance on both synthetic and real-world datasets with successful adaptation. Code is available at https://github.com/Wang-ML-Lab/TSDA.

cs.LG↗

arXiv2023

Machine Learning Force Fields with Data Cost Aware Training

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research. Even for the most data-efficient MLFFs, reaching chemical accuracy can require hundreds of frames of force and energy labels generated by expensive quantum mechanical algorithms, which may scale as $O(n^3)$ to $O(n^7)$, with $n$ proportional to the number of basis functions. To address this issue, we propose a multi-stage computational framework -- ASTEROID, which lowers the data cost of MLFFs by leveraging a combination of cheap inaccurate data and expensive accurate data. The motivation behind ASTEROID is that inaccurate data, though incurring large bias, can help capture the sophisticated structures of the underlying force field. Therefore, we first train a MLFF model on a large amount of inaccurate training data, employing a bias-aware loss function to prevent the model from overfitting tahe potential bias of this data. We then fine-tune the obtained model using a small amount of accurate training data, which preserves the knowledge learned from the inaccurate training data while significantly improving the model's accuracy. Moreover, we propose a variant of ASTEROID based on score matching for the setting where the inaccurate training data are unlabeled. Extensive experiments on MD datasets and downstream tasks validate the efficacy of ASTEROID. Our code and data are available at https://github.com/abukharin3/asteroid.

q-bio.QM↗

arXiv2023

Label Inference Attack against Split Learning under Regression Setting

As a crucial building block in vertical Federated Learning (vFL), Split Learning (SL) has demonstrated its practice in the two-party model training collaboration, where one party holds the features of data samples and another party holds the corresponding labels. Such method is claimed to be private considering the shared information is only the embedding vectors and gradients instead of private raw data and labels. However, some recent works have shown that the private labels could be leaked by the gradients. These existing attack only works under the classification setting where the private labels are discrete. In this work, we step further to study the leakage in the scenario of the regression model, where the private labels are continuous numbers (instead of discrete labels in classification). This makes previous attacks harder to infer the continuous labels due to the unbounded output range. To address the limitation, we propose a novel learning-based attack that integrates gradient information and extra learning regularization objectives in aspects of model training properties, which can infer the labels under regression settings effectively. The comprehensive experiments on various datasets and models have demonstrated the effectiveness of our proposed attack. We hope our work can pave the way for future analyses that make the vFL framework more secure.

cs.CR↗

arXiv2023

Extended Successive Convex Approximation for Phase Retrieval with Dictionary Learning

Phase retrieval aims at reconstructing unknown signals from magnitude measurements of linear mixtures. In this paper, we consider the phase retrieval with dictionary learning problem, which includes an additional prior information that the measured signal admits a sparse representation over an unknown dictionary. The task is to jointly estimate the dictionary and the sparse representation from magnitude-only measurements. To this end, we study two complementary formulations and develop efficient parallel algorithms by extending the successive convex approximation framework using a smooth majorization. The first algorithm is termed compact-SCAphase and is preferable in the case of less diverse mixture models. It employs a compact formulation that avoids the use of auxiliary variables. The proposed algorithm is highly scalable and has reduced parameter tuning cost. The second algorithm, referred to as SCAphase, uses auxiliary variables and is favorable in the case of highly diverse mixture models. It also renders simple incorporation of additional side constraints. The performance of both methods is evaluated when applied to blind sparse channel estimation from subband magnitude measurements in a multi-antenna random access network. Simulation results demonstrate the efficiency of the proposed techniques compared to state-of-the-art methods.

eess.SP↗

arXiv2022

UGformer for Robust Left Atrium and Scar Segmentation Across Scanners

Thanks to the capacity for long-range dependencies and robustness to irregular shapes, vision transformers and deformable convolutions are emerging as powerful vision techniques of segmentation.Meanwhile, Graph Convolution Networks (GCN) optimize local features based on global topological relationship modeling. Particularly, they have been proved to be effective in addressing issues in medical imaging segmentation tasks including multi-domain generalization for low-quality images. In this paper, we present a novel, effective, and robust framework for medical image segmentation, namely, UGformer. It unifies novel transformer blocks, GCN bridges, and convolution decoders originating from U-Net to predict left atriums (LAs) and LA scars. We have identified two appealing findings of the proposed UGformer: 1). an enhanced transformer module with deformable convolutions to improve the blending of the transformer information with convolutional information and help predict irregular LAs and scar shapes. 2). Using a bridge incorporating GCN to further overcome the difficulty of capturing condition inconsistency across different Magnetic Resonance Images scanners with various inconsistent domain information. The proposed UGformer model exhibits outstanding ability to segment the left atrium and scar on the LAScarQS 2022 dataset, outperforming several recent state-of-the-arts.

cs.CV↗

arXiv2022

Differentially Private Estimation of Hawkes Process

Point process models are of great importance in real world applications. In certain critical applications, estimation of point process models involves large amounts of sensitive personal data from users. Privacy concerns naturally arise which have not been addressed in the existing literature. To bridge this glaring gap, we propose the first general differentially private estimation procedure for point process models. Specifically, we take the Hawkes process as an example, and introduce a rigorous definition of differential privacy for event stream data based on a discretized representation of the Hawkes process. We then propose two differentially private optimization algorithms, which can efficiently estimate Hawkes process models with the desired privacy and utility guarantees under two different settings. Experiments are provided to back up our theoretical analysis.

cs.LG↗

arXiv2022

Differentially Private Multi-Party Data Release for Linear Regression

Differentially Private (DP) data release is a promising technique to disseminate data without compromising the privacy of data subjects. However the majority of prior work has focused on scenarios where a single party owns all the data. In this paper we focus on the multi-party setting, where different stakeholders own disjoint sets of attributes belonging to the same group of data subjects. Within the context of linear regression that allow all parties to train models on the complete data without the ability to infer private attributes or identities of individuals, we start with directly applying Gaussian mechanism and show it has the small eigenvalue problem. We further propose our novel method and prove it asymptotically converges to the optimal (non-private) solutions with increasing dataset size. We substantiate the theoretical results through experiments on both artificial and real-world datasets.

cs.CR↗

arXiv2022

Tag-assisted Multimodal Sentiment Analysis under Uncertain Missing Modalities

Multimodal sentiment analysis has been studied under the assumption that all modalities are available. However, such a strong assumption does not always hold in practice, and most of multimodal fusion models may fail when partial modalities are missing. Several works have addressed the missing modality problem; but most of them only considered the single modality missing case, and ignored the practically more general cases of multiple modalities missing. To this end, in this paper, we propose a Tag-Assisted Transformer Encoder (TATE) network to handle the problem of missing uncertain modalities. Specifically, we design a tag encoding module to cover both the single modality and multiple modalities missing cases, so as to guide the network's attention to those missing modalities. Besides, we adopt a new space projection pattern to align common vectors. Then, a Transformer encoder-decoder network is utilized to learn the missing modality features. At last, the outputs of the Transformer encoder are used for the final sentiment classification. Extensive experiments are conducted on CMU-MOSI and IEMOCAP datasets, showing that our method can achieve significant improvements compared with several baselines.

cs.LG↗

arXiv2022

Fluctuating intertwined stripes in the strange metal regime of the Hubbard model

Strongly correlated electron systems host a variety of poorly understood correlations in their high temperature normal state. Unlike ordered phases defined by order parameters, these normal state phases are often defined through unconventional properties such as strange metallic transport or spectroscopic pseudogaps. Characterizing the microscopic correlations in the normal state is necessary to elucidate mechanisms that lead to these properties and their connection to ground state orders. Here we establish the presence of intertwined charge and spin stripes in the strange metal normal state of the Hubbard model using determinant quantum Monte Carlo calculations. The charge and spin density waves constituting the stripes are fluctuating and short-ranged, yet they obey a mutual commensurability relation and remain microscopically interlocked, as evidenced through measurements of three-point spin-spin-hole correlation functions. Our findings demonstrate the ability of many-body numerical simulations to unravel the microscopic correlations that define quantum states of matter.

cond-mat.str-el↗

arXiv2022

Noise Regularizes Over-parameterized Rank One Matrix Recovery, Provably

We investigate the role of noise in optimization algorithms for learning over-parameterized models. Specifically, we consider the recovery of a rank one matrix $Y^*\in R^{d\times d}$ from a noisy observation $Y$ using an over-parameterization model. We parameterize the rank one matrix $Y^*$ by $XX^\top$, where $X\in R^{d\times d}$. We then show that under mild conditions, the estimator, obtained by the randomly perturbed gradient descent algorithm using the square loss function, attains a mean square error of $O(σ^2/d)$, where $σ^2$ is the variance of the observational noise. In contrast, the estimator obtained by gradient descent without random perturbation only attains a mean square error of $O(σ^2)$. Our result partially justifies the implicit regularization effect of noise when learning over-parameterized models, and provides new understanding of training over-parameterized neural networks.

cs.LG↗

arXiv2021

Unified Multimodal Pre-training and Prompt-based Tuning for Vision-Language Understanding and Generation

Most existing vision-language pre-training methods focus on understanding tasks and use BERT-like objectives (masked language modeling and image-text matching) during pretraining. Although they perform well in many understanding downstream tasks, e.g., visual question answering, image-text retrieval and visual entailment, they do not possess the ability to generate. To tackle this problem, we propose Unified multimodal pre-training for both Vision-Language understanding and generation (UniVL). The proposed UniVL is capable of handling both understanding tasks and generative tasks. We augment existing pretraining paradigms that only use random masks with causal masks, i.e., triangular masks that mask out future tokens, such that the pre-trained models can have autoregressive generation abilities by design. We formulate several previous understanding tasks as a text generation task and propose to use prompt-based method for fine-tuning on different downstream tasks. Our experiments show that there is a trade-off between understanding tasks and generation tasks while using the same model, and a feasible way to improve both tasks is to use more data. Our UniVL framework attains comparable performance to recent vision-language pre-training methods on both understanding tasks and generation tasks. Moreover, we demostrate that prompt-based finetuning is more data-efficient - it outperforms discriminative methods in few-shot scenarios.

cs.CV↗

arXiv2021

Accelerate Distributed Stochastic Descent for Nonconvex Optimization with Momentum

Momentum method has been used extensively in optimizers for deep learning. Recent studies show that distributed training through K-step averaging has many nice properties. We propose a momentum method for such model averaging approaches. At each individual learner level traditional stochastic gradient is applied. At the meta-level (global learner level), one momentum term is applied and we call it block momentum. We analyze the convergence and scaling properties of such momentum methods. Our experimental results show that block momentum not only accelerates training, but also achieves better results.

cs.LG↗