Yu Kang

Yu Kang, Tianqiao Liu, Hang Li et al.

Multimodal pre-training for audio-and-text has recently been proved to be effective and has significantly improved the performance of many downstream speech understanding tasks. However, these state-of-the-art pre-training audio-text models work well only when provided with large amount of parallel audio-and-text data, which brings challenges on many languages that are rich in unimodal corpora but scarce of parallel cross-modal corpus. In this paper, we investigate whether it is possible to pre-train an audio-text multimodal model with extremely low-resource parallel data and extra non-parallel unimodal data. Our pre-training framework consists of the following components: (1) Intra-modal Denoising Auto-Encoding (IDAE), which is able to reconstruct input text (audio) representations from a noisy version of itself. (2) Cross-modal Denoising Auto-Encoding (CDAE), which is pre-trained to reconstruct the input text (audio), given both a noisy version of the input text (audio) and the corresponding translated noisy audio features (text embeddings). (3) Iterative Denoising Process (IDP), which iteratively translates raw audio (text) and the corresponding text embeddings (audio features) translated from previous iteration into the new less-noisy text embeddings (audio features). We adapt a dual cross-modal Transformer as our backbone model which consists of two unimodal encoders for IDAE and two cross-modal encoders for CDAE and IDP. Our method achieves comparable performance on multiple downstream speech understanding tasks compared with the model pre-trained on fully parallel data, demonstrating the great potential of the proposed method. Our code is available at: \url{https://github.com/KarlYuKang/Low-Resource-Multimodal-Pre-training}.

Jike Wang, Rui Qin, Mingyang Wang et al.

Significant interests have recently risen in leveraging sequence-based large language models (LLMs) for drug design. However, most current applications of LLMs in drug discovery lack the ability to comprehend three-dimensional (3D) structures, thereby limiting their effectiveness in tasks that explicitly involve molecular conformations. In this study, we introduced Token-Mol, a token-only 3D drug design model. This model encodes all molecular information, including 2D and 3D structures, as well as molecular property data, into tokens, which transforms classification and regression tasks in drug discovery into probabilistic prediction problems, thereby enabling learning through a unified paradigm. Token-Mol is built on the transformer decoder architecture and trained using random causal masking techniques. Additionally, we proposed the Gaussian cross-entropy (GCE) loss function to overcome the challenges in regression tasks, significantly enhancing the capacity of LLMs to learn continuous numerical values. Through a combination of fine-tuning and reinforcement learning (RL), Token-Mol achieves performance comparable to or surpassing existing task-specific methods across various downstream tasks, including pocket-based molecular generation, conformation generation, and molecular property prediction. Compared to existing molecular pre-trained models, Token-Mol exhibits superior proficiency in handling a wider range of downstream tasks essential for drug design. Notably, our approach improves regression task accuracy by approximately 30% compared to similar token-only methods. Token-Mol overcomes the precision limitations of token-only models and has the potential to integrate seamlessly with general models such as ChatGPT, paving the way for the development of a universal artificial intelligence drug design model that facilitates rapid and high-quality drug design by experts.

Jun Lu, David Li, Bill Ding et al.

This paper presents an approach to improve text embedding models through contrastive fine-tuning on small datasets augmented with expert scores. It focuses on enhancing semantic textual similarity tasks and addressing text retrieval problems. The proposed method uses soft labels derived from expert-augmented scores to fine-tune embedding models, preserving their versatility and ensuring retrieval capability is improved. The paper evaluates the method using a Q\&A dataset from an online shopping website and eight expert models. Results show improved performance over a benchmark model across multiple metrics on various retrieval tasks from the massive text embedding benchmark (MTEB). The method is cost-effective and practical for real-world applications, especially when labeled data is scarce.

Liangsheng Lu, Wei Zhai, Hongchen Luo et al.

Affordance detection, which refers to perceiving objects with potential action possibilities in images, is a challenging task since the possible affordance depends on the person's purpose in real-world application scenarios. The existing works mainly extract the inherent human-object dependencies from image/video to accommodate affordance properties that change dynamically. In this paper, we explore to perceive affordance from a vision-language perspective and consider the challenging phrase-based affordance detection problem,i.e., given a set of phrases describing the action purposes, all the object regions in a scene with the same affordance should be detected. To this end, we propose a cyclic bilateral consistency enhancement network (CBCE-Net) to align language and vision features progressively. Specifically, the presented CBCE-Net consists of a mutual guided vision-language module that updates the common features of vision and language in a progressive manner, and a cyclic interaction module (CIM) that facilitates the perception of possible interaction with objects in a cyclic manner. In addition, we extend the public Purpose-driven Affordance Dataset (PAD) by annotating affordance categories with short phrases. The contrastive experimental results demonstrate the superiority of our method over nine typical methods from four relevant fields in terms of both objective metrics and visual quality. The related code and dataset will be released at \url{https://github.com/lulsheng/CBCE-Net}.

Odin Zhang, Yufei Huang, Shichen Cheng et al.

Most earlier 3D structure-based molecular generation approaches follow an atom-wise paradigm, incrementally adding atoms to a partially built molecular fragment within protein pockets. These methods, while effective in designing tightly bound ligands, often overlook other essential properties such as synthesizability. The fragment-wise generation paradigm offers a promising solution. However, a common challenge across both atom-wise and fragment-wise methods lies in their limited ability to co-design plausible chemical and geometrical structures, resulting in distorted conformations. In response to this challenge, we introduce the Deep Geometry Handling protocol, a more abstract design that extends the design focus beyond the model architecture. Through a comprehensive review of existing geometry-related models and their protocols, we propose a novel hybrid strategy, culminating in the development of FragGen - a geometry-reliable, fragment-wise molecular generation method. FragGen marks a significant leap forward in the quality of generated geometry and the synthesis accessibility of molecules. The efficacy of FragGen is further validated by its successful application in designing type II kinase inhibitors at the nanomolar level.

Jun Lu, Tianyi Xu, Bill Ding et al.

In this paper, we tackle the critical challenge of compressing large language models (LLMs) to facilitate their practical deployment and broader adoption. We introduce a novel post-training compression paradigm that focuses on low-rank decomposition of LLM weights. Our analysis identifies two main challenges in this task: the variability in LLM activation distributions and handling unseen activations from different datasets and models. To address these challenges, we propose a nested activation-aware framework (NSVD) for LLMs, a training-free approach designed to enhance the accuracy of low-rank decompositions by managing activation outliers through transforming the weight matrix based on activation distribution and the original weight matrix. This method allows for the absorption of outliers into the transformed weight matrix, improving decomposition accuracy. Our comprehensive evaluation across eight datasets and six models from three distinct LLM families demonstrates the superiority of NSVD over current state-of-the-art methods, especially at medium to large compression ratios or in multilingual and multitask settings.

Yunning Cao, Lihong Pei, Jian Guo et al.

Identifying high-emission vehicles is a crucial step in regulating urban pollution levels and formulating traffic emission reduction strategies. However, in practical monitoring data, the proportion of high-emission state data is significantly lower compared to normal emission states. This characteristic long-tailed distribution severely impedes the extraction of discriminative features for emission state identification during data mining. Furthermore, the highly nonlinear nature of vehicle emission states and the lack of relevant prior knowledge also pose significant challenges to the construction of identification models.To address the aforementioned issues, we propose a Set-Valued Transformer Network (SVTN) to achieve comprehensive learning of discriminative features from high-emission samples, thereby enhancing detection accuracy. Specifically, this model first employs the transformer to measure the temporal similarity of micro-trip condition variations, thus constructing a mapping rule that projects the original high-dimensional emission data into a low-dimensional feature space. Next, a set-valued identification algorithm is used to probabilistically model the relationship between the generated feature vectors and their labels, providing an accurate metric criterion for the classification algorithm. To validate the effectiveness of our proposed approach, we conducted extensive experiments on the diesel vehicle monitoring data of Hefei city in 2020. The results demonstrate that our method achieves a 9.5\% reduction in the missed detection rate for high-emission vehicles compared to the transformer-based baseline, highlighting its superior capability in accurately identifying high-emission mobile pollution sources.

Fan Wang, Hao Tian, Haoyi Xiong et al.

Artificial neural networks (ANNs) are typically confined to accomplishing pre-defined tasks by learning a set of static parameters. In contrast, biological neural networks (BNNs) can adapt to various new tasks by continually updating the neural connections based on the inputs, which is aligned with the paradigm of learning effective learning rules in addition to static parameters, e.g., meta-learning. Among various biologically inspired learning rules, Hebbian plasticity updates the neural network weights using local signals without the guide of an explicit target function, thus enabling an agent to learn automatically without human efforts. However, typical plastic ANNs using a large amount of meta-parameters violate the nature of the genomics bottleneck and potentially deteriorate the generalization capacity. This work proposes a new learning paradigm decomposing those connection-dependent plasticity rules into neuron-dependent rules thus accommodating $Θ(n^2)$ learnable parameters with only $Θ(n)$ meta-parameters. We also thoroughly study the effect of different neural modulation on plasticity. Our algorithms are tested in challenging random 2D maze environments, where the agents have to use their past experiences to shape the neural connections and improve their performances for the future. The results of our experiment validate the following: 1. Plasticity can be adopted to continually update a randomly initialized RNN to surpass pre-trained, more sophisticated recurrent models, especially when coming to long-term memorization. 2. Following the genomics bottleneck, the proposed decomposed plasticity can be comparable to or even more effective than canonical plasticity rules in some instances.