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Ziwei Xie

Ziwei Xie contributes to research discovery and scholarly infrastructure.

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Published work

5 published item(s)

preprint2026arXiv

Deep Learning for Protein Complex Prediction and Design

Accurately modeling and designing protein complex structures is a central problem in computational structural biology, with broad implications for understanding cellular function and developing therapeutics. This thesis investigates two fundamental aspects of this problem using deep learning: domain-specific architectures that capture the hierarchical nature of protein structures, and search algorithms that efficiently navigate the vast sequence spaces of protein complexes to identify interacting homologs for improving complex structure prediction and to design protein sequences.

preprint2026arXiv

DeepSeek-R1: Incentivizing Reasoning Capability in LLMs via Reinforcement Learning

General reasoning represents a long-standing and formidable challenge in artificial intelligence. Recent breakthroughs, exemplified by large language models (LLMs) and chain-of-thought prompting, have achieved considerable success on foundational reasoning tasks. However, this success is heavily contingent upon extensive human-annotated demonstrations, and models' capabilities are still insufficient for more complex problems. Here we show that the reasoning abilities of LLMs can be incentivized through pure reinforcement learning (RL), obviating the need for human-labeled reasoning trajectories. The proposed RL framework facilitates the emergent development of advanced reasoning patterns, such as self-reflection, verification, and dynamic strategy adaptation. Consequently, the trained model achieves superior performance on verifiable tasks such as mathematics, coding competitions, and STEM fields, surpassing its counterparts trained via conventional supervised learning on human demonstrations. Moreover, the emergent reasoning patterns exhibited by these large-scale models can be systematically harnessed to guide and enhance the reasoning capabilities of smaller models.

preprint2024arXiv

DeepSeek LLM: Scaling Open-Source Language Models with Longtermism

The rapid development of open-source large language models (LLMs) has been truly remarkable. However, the scaling law described in previous literature presents varying conclusions, which casts a dark cloud over scaling LLMs. We delve into the study of scaling laws and present our distinctive findings that facilitate scaling of large scale models in two commonly used open-source configurations, 7B and 67B. Guided by the scaling laws, we introduce DeepSeek LLM, a project dedicated to advancing open-source language models with a long-term perspective. To support the pre-training phase, we have developed a dataset that currently consists of 2 trillion tokens and is continuously expanding. We further conduct supervised fine-tuning (SFT) and Direct Preference Optimization (DPO) on DeepSeek LLM Base models, resulting in the creation of DeepSeek Chat models. Our evaluation results demonstrate that DeepSeek LLM 67B surpasses LLaMA-2 70B on various benchmarks, particularly in the domains of code, mathematics, and reasoning. Furthermore, open-ended evaluations reveal that DeepSeek LLM 67B Chat exhibits superior performance compared to GPT-3.5.

preprint2021arXiv

RA V-Net: Deep learning network for automated liver segmentation

Accurate segmentation of the liver is a prerequisite for the diagnosis of disease. Automated segmentation is an important application of computer-aided detection and diagnosis of liver disease. In recent years, automated processing of medical images has gained breakthroughs. However, the low contrast of abdominal scan CT images and the complexity of liver morphology make accurate automatic segmentation challenging. In this paper, we propose RA V-Net, which is an improved medical image automatic segmentation model based on U-Net. It has the following three main innovations. CofRes Module (Composite Original Feature Residual Module) is proposed. With more complex convolution layers and skip connections to make it obtain a higher level of image feature extraction capability and prevent gradient disappearance or explosion. AR Module (Attention Recovery Module) is proposed to reduce the computational effort of the model. In addition, the spatial features between the data pixels of the encoding and decoding modules are sensed by adjusting the channels and LSTM convolution. Finally, the image features are effectively retained. CA Module (Channel Attention Module) is introduced, which used to extract relevant channels with dependencies and strengthen them by matrix dot product, while weakening irrelevant channels without dependencies. The purpose of channel attention is achieved. The attention mechanism provided by LSTM convolution and CA Module are strong guarantees for the performance of the neural network. The accuracy of U-Net network: 0.9862, precision: 0.9118, DSC: 0.8547, JSC: 0.82. The evaluation metrics of RA V-Net, accuracy: 0.9968, precision: 0.9597, DSC: 0.9654, JSC: 0.9414. The most representative metric for the segmentation effect is DSC, which improves 0.1107 over U-Net, and JSC improves 0.1214.

preprint2020arXiv

Component Divide-and-Conquer for Real-World Image Super-Resolution

In this paper, we present a large-scale Diverse Real-world image Super-Resolution dataset, i.e., DRealSR, as well as a divide-and-conquer Super-Resolution (SR) network, exploring the utility of guiding SR model with low-level image components. DRealSR establishes a new SR benchmark with diverse real-world degradation processes, mitigating the limitations of conventional simulated image degradation. In general, the targets of SR vary with image regions with different low-level image components, e.g., smoothness preserving for flat regions, sharpening for edges, and detail enhancing for textures. Learning an SR model with conventional pixel-wise loss usually is easily dominated by flat regions and edges, and fails to infer realistic details of complex textures. We propose a Component Divide-and-Conquer (CDC) model and a Gradient-Weighted (GW) loss for SR. Our CDC parses an image with three components, employs three Component-Attentive Blocks (CABs) to learn attentive masks and intermediate SR predictions with an intermediate supervision learning strategy, and trains an SR model following a divide-and-conquer learning principle. Our GW loss also provides a feasible way to balance the difficulties of image components for SR. Extensive experiments validate the superior performance of our CDC and the challenging aspects of our DRealSR dataset related to diverse real-world scenarios. Our dataset and codes are publicly available at https://github.com/xiezw5/Component-Divide-and-Conquer-for-Real-World-Image-Super-Resolution