Abstract:Spatial phase unwrapping is a key technique for extracting phase information to obtain 3D morphology and other features. Modern industrial measurement scenarios demand high precision, large image sizes, and high speed. However, conventional methods struggle with noise resistance and processing speed. Current deep learning methods are limited by the receptive field size and sparse semantic information, making them ineffective for large size images. To address this issue, we propose a mutual self-distillation (MSD) mechanism and adaptive boosting ensemble segmenters to construct a universal multi-size phase unwrapping network (UMSPU). MSD performs hierarchical attention refinement and achieves cross-layer collaborative learning through bidirectional distillation, ensuring fine-grained semantic representation across image sizes. The adaptive boosting ensemble segmenters combine weak segmenters with different receptive fields into a strong one, ensuring stable segmentation across spatial frequencies. Experimental results show that UMSPU overcomes image size limitations, achieving high precision across image sizes ranging from 256*256 to 2048*2048 (an 8 times increase). It also outperforms existing methods in speed, robustness, and generalization. Its practicality is further validated in structured light imaging and InSAR. We believe that UMSPU offers a universal solution for phase unwrapping, with broad potential for industrial applications.
Abstract:Deep Neural Networks (DNNs) have revolutionized various fields, but their deployment on GPUs often leads to significant energy consumption. Unlike existing methods for reducing GPU energy consumption, which are either hardware-inflexible or limited by workload constraints, this paper addresses the problem at the GPU kernel level. We propose a novel search-based compilation method to generate energy-efficient GPU kernels by incorporating energy efficiency into the search process. To accelerate the energy evaluation process, we develop an accurate energy cost model based on high-level kernel features. Furthermore, we introduce a dynamic updating strategy for the energy cost model, reducing the need for on-device energy measurements and accelerating the search process. Our evaluation demonstrates that the proposed approach can generate GPU kernels with up to 21.69% reduced energy consumption while maintaining low latency.
Abstract:Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resistance in cancer therapy. Considering the tremendous success that deep generative models have achieved in structure-based drug design in recent years, we formulate dual-target drug design as a generative task and curate a novel dataset of potential target pairs based on synergistic drug combinations. We propose to design dual-target drugs with diffusion models that are trained on single-target protein-ligand complex pairs. Specifically, we align two pockets in 3D space with protein-ligand binding priors and build two complex graphs with shared ligand nodes for SE(3)-equivariant composed message passing, based on which we derive a composed drift in both 3D and categorical probability space in the generative process. Our algorithm can well transfer the knowledge gained in single-target pretraining to dual-target scenarios in a zero-shot manner. We also repurpose linker design methods as strong baselines for this task. Extensive experiments demonstrate the effectiveness of our method compared with various baselines.
Abstract:Speech is usually used for constructing an automatic Alzheimer's dementia (AD) detection system, as the acoustic and linguistic abilities show a decline in people living with AD at the early stages. However, speech includes not only AD-related local and global information but also other information unrelated to cognitive status, such as age and gender. In this paper, we propose a speech-based system named Swin-BERT for automatic dementia detection. For the acoustic part, the shifted windows multi-head attention that proposed to extract local and global information from images, is used for designing our acoustic-based system. To decouple the effect of age and gender on acoustic feature extraction, they are used as an extra input of the designed acoustic system. For the linguistic part, the rhythm-related information, which varies significantly between people living with and without AD, is removed while transcribing the audio recordings into transcripts. To compensate for the removed rhythm-related information, the character-level transcripts are proposed to be used as the extra input of a word-level BERT-style system. Finally, the Swin-BERT combines the acoustic features learned from our proposed acoustic-based system with our linguistic-based system. The experiments are based on the two datasets provided by the international dementia detection challenges: the ADReSS and ADReSSo. The results show that both the proposed acoustic and linguistic systems can be better or comparable with previous research on the two datasets. Superior results are achieved by the proposed Swin-BERT system on the ADReSS and ADReSSo datasets, which are 85.58\% F-score and 87.32\% F-score respectively.
Abstract:The AIDS epidemic has killed 40 million people and caused serious global problems. The identification of new HIV-inhibiting molecules is of great importance for combating the AIDS epidemic. Here, the Classifier Guidance Diffusion model and ligand-based virtual screening strategy are combined to discover potential HIV-inhibiting molecules for the first time. We call it Diff4VS. An extra classifier is trained using the HIV molecule dataset, and the gradient of the classifier is used to guide the Diffusion to generate HIV-inhibiting molecules. Experiments show that Diff4VS can generate more candidate HIV-inhibiting molecules than other methods. Inspired by ligand-based virtual screening, a new metric DrugIndex is proposed. The DrugIndex is the ratio of the proportion of candidate drug molecules in the generated molecule to the proportion of candidate drug molecules in the training set. DrugIndex provides a new evaluation method for evolving molecular generative models from a pharmaceutical perspective. Besides, we report a new phenomenon observed when using molecule generation models for virtual screening. Compared to real molecules, the generated molecules have a lower proportion that is highly similar to known drug molecules. We call it Degradation in molecule generation. Based on the data analysis, the Degradation may result from the difficulty of generating molecules with a specific structure in the generative model. Our research contributes to the application of generative models in drug design from method, metric, and phenomenon analysis.
Abstract:The upscaling of Large Language Models (LLMs) has yielded impressive advances in natural language processing, yet it also poses significant deployment challenges. Weight quantization has emerged as a widely embraced solution to reduce memory and computational demands. This paper introduces BitDistiller, a framework that synergizes Quantization-Aware Training (QAT) with Knowledge Distillation (KD) to boost the performance of LLMs at ultra-low precisions (sub-4-bit). Specifically, BitDistiller first incorporates a tailored asymmetric quantization and clipping technique to maximally preserve the fidelity of quantized weights, and then proposes a novel Confidence-Aware Kullback-Leibler Divergence (CAKLD) objective, which is employed in a self-distillation manner to enable faster convergence and superior model performance. Empirical evaluations demonstrate that BitDistiller significantly surpasses existing methods in both 3-bit and 2-bit configurations on general language understanding and complex reasoning benchmarks. Notably, BitDistiller is shown to be more cost-effective, demanding fewer data and training resources. The code is available at https://github.com/DD-DuDa/BitDistiller.
Abstract:In this paper, we present CharacterGLM, a series of models built upon ChatGLM, with model sizes ranging from 6B to 66B parameters. Our CharacterGLM is designed for generating Character-based Dialogues (CharacterDial), which aims to equip a conversational AI system with character customization for satisfying people's inherent social desires and emotional needs. On top of CharacterGLM, we can customize various AI characters or social agents by configuring their attributes (identities, interests, viewpoints, experiences, achievements, social relationships, etc.) and behaviors (linguistic features, emotional expressions, interaction patterns, etc.). Our model outperforms most mainstream close-source large langauge models, including the GPT series, especially in terms of consistency, human-likeness, and engagement according to manual evaluations. We will release our 6B version of CharacterGLM and a subset of training data to facilitate further research development in the direction of character-based dialogue generation.
Abstract:Large language models (LLMs) show great performance in various tasks, but face deployment challenges from limited memory capacity and bandwidth. Low-bit weight quantization can save memory and accelerate inference. Although floating-point (FP) formats show good performance in LLM quantization, they tend to perform poorly with small group sizes or sub-4 bits. We find the reason is that the absence of asymmetry in previous FP quantization makes it unsuitable for handling asymmetric value distribution of LLM weight tensors. In this work, we propose asymmetric FP quantization (AFPQ), which sets separate scales for positive and negative values. Our method leads to large accuracy improvements and can be easily plugged into other quantization methods, including GPTQ and AWQ, for better performance. Besides, no additional storage is needed compared with asymmetric integer (INT) quantization. The code is available at https://github.com/zhangsichengsjtu/AFPQ.
Abstract:Emotion recognition in conversations (ERC), the task of recognizing the emotion of each utterance in a conversation, is crucial for building empathetic machines. Existing studies focus mainly on capturing context- and speaker-sensitive dependencies on the textual modality but ignore the significance of multimodal information. Different from emotion recognition in textual conversations, capturing intra- and inter-modal interactions between utterances, learning weights between different modalities, and enhancing modal representations play important roles in multimodal ERC. In this paper, we propose a transformer-based model with self-distillation (SDT) for the task. The transformer-based model captures intra- and inter-modal interactions by utilizing intra- and inter-modal transformers, and learns weights between modalities dynamically by designing a hierarchical gated fusion strategy. Furthermore, to learn more expressive modal representations, we treat soft labels of the proposed model as extra training supervision. Specifically, we introduce self-distillation to transfer knowledge of hard and soft labels from the proposed model to each modality. Experiments on IEMOCAP and MELD datasets demonstrate that SDT outperforms previous state-of-the-art baselines.
Abstract:Local feature matching remains a challenging task, primarily due to difficulties in matching sparse keypoints and low-texture regions. The key to solving this problem lies in effectively and accurately integrating global and local information. To achieve this goal, we introduce an innovative local feature matching method called TKwinFormer. Our approach employs a multi-stage matching strategy to optimize the efficiency of information interaction. Furthermore, we propose a novel attention mechanism called Top K Window Attention, which facilitates global information interaction through window tokens prior to patch-level matching, resulting in improved matching accuracy. Additionally, we design an attention block to enhance attention between channels. Experimental results demonstrate that TKwinFormer outperforms state-of-the-art methods on various benchmarks. Code is available at: https://github.com/LiaoYun0x0/TKwinFormer.