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Accurate prediction of molecular properties is crucial in drug discovery. Traditional methods often overlook that real-world molecules typically exhibit multiple property labels with complex correlations. To this end, we propose a novel framework, HiPM, which stands for hierarchical prompted molecular representation learning framework. HiPM leverages task-aware prompts to enhance the differential expression of tasks in molecular representations and mitigate negative transfer caused by conflicts in individual task information. Our framework comprises two core components: the Molecular Representation Encoder (MRE) and the Task-Aware Prompter (TAP). MRE employs a hierarchical message-passing network architecture to capture molecular features at both the atom and motif levels. Meanwhile, TAP utilizes agglomerative hierarchical clustering algorithm to construct a prompt tree that reflects task affinity and distinctiveness, enabling the model to consider multi-granular correlation information among tasks, thereby effectively handling the complexity of multi-label property prediction. Extensive experiments demonstrate that HiPM achieves state-of-the-art performance across various multi-label datasets, offering a novel perspective on multi-label molecular representation learning.

We introduce a novel framework named ClarifyGPT, which aims to enhance code generation by empowering LLMs with the ability to identify ambiguous requirements and ask targeted clarifying questions. In particular, ClarifyGPT first detects whether a given requirement is ambiguous by performing a code consistency check. If it is ambiguous, ClarifyGPT prompts an LLM to generate targeted clarifying questions. After receiving question responses, ClarifyGPT refines the ambiguous requirement and inputs it into the same LLM to generate a final code solution. To evaluate our ClarifyGPT, we first conduct a human evaluation involving ten participants who use ClarifyGPT for code generation on two publicly available benchmarks: MBPP-sanitized and MBPP-ET. The results show that ClarifyGPT elevates the performance (Pass@1) of GPT-4 from 70.96% to 80.80% on MBPP-sanitized. Furthermore, to perform large-scale automated evaluations of ClarifyGPT across different LLMs and benchmarks without requiring user participation, we introduce a high-fidelity simulation method to simulate user responses. The automated evaluation results also demonstrate that ClarifyGPT can significantly enhance code generation performance compared to the baselines. In particular, ClarifyGPT improves the average performance of GPT-4 and ChatGPT across four benchmarks from 68.02% to 75.75% and from 58.55% to 67.22%, respectively. We believe that ClarifyGPT can effectively facilitate the practical application of LLMs in real-world development environments.

Cross-lingual timbre and style generalizable text-to-speech (TTS) aims to synthesize speech with a specific reference timbre or style that is never trained in the target language. It encounters the following challenges: 1) timbre and pronunciation are correlated since multilingual speech of a specific speaker is usually hard to obtain; 2) style and pronunciation are mixed because the speech style contains language-agnostic and language-specific parts. To address these challenges, we propose GenerTTS, which mainly includes the following works: 1) we elaborately design a HuBERT-based information bottleneck to disentangle timbre and pronunciation/style; 2) we minimize the mutual information between style and language to discard the language-specific information in the style embedding. The experiments indicate that GenerTTS outperforms baseline systems in terms of style similarity and pronunciation accuracy, and enables cross-lingual timbre and style generalization., Comment: Accepted by INTERSPEECH 2023

As a key component of automated speech recognition (ASR) and the front-end in text-to-speech (TTS), grapheme-to-phoneme (G2P) plays the role of converting letters to their corresponding pronunciations. Existing methods are either slow or poor in performance, and are limited in application scenarios, particularly in the process of on-device inference. In this paper, we integrate the advantages of both expert knowledge and connectionist temporal classification (CTC) based neural network and propose a novel method named LiteG2P which is fast, light and theoretically parallel. With the carefully leading design, LiteG2P can be applied both on cloud and on device. Experimental results on the CMU dataset show that the performance of the proposed method is superior to the state-of-the-art CTC based method with 10 times fewer parameters, and even comparable to the state-of-the-art Transformer-based sequence-to-sequence model with less parameters and 33 times less computation., Comment: Accepted by ICASSP2023

The identification of drug-target binding affinity (DTA) has attracted increasing attention in the drug discovery process due to the more specific interpretation than binary interaction prediction. Recently, numerous deep learning-based computational methods have been proposed to predict the binding affinities between drugs and targets benefiting from their satisfactory performance. However, the previous works mainly focus on encoding biological features and chemical structures of drugs and targets, with a lack of exploiting the essential topological information from the drug-target affinity network. In this paper, we propose a novel hierarchical graph representation learning model for the drug-target binding affinity prediction, namely HGRL-DTA. The main contribution of our model is to establish a hierarchical graph learning architecture to incorporate the intrinsic properties of drug/target molecules and the topological affinities of drug-target pairs. In this architecture, we adopt a message broadcasting mechanism to integrate the hierarchical representations learned from the global-level affinity graph and the local-level molecular graph. Besides, we design a similarity-based embedding map to solve the cold start problem of inferring representations for unseen drugs and targets. Comprehensive experimental results under different scenarios indicate that HGRL-DTA significantly outperforms the state-of-the-art models and shows better model generalization among all the scenarios.

In this paper, we present our solution for the {\it IJCAI--PRICAI--20 3D AI Challenge: 3D Object Reconstruction from A Single Image}. We develop a variant of AtlasNet that consumes single 2D images and generates 3D point clouds through 2D to 3D mapping. To push the performance to the limit and present guidance on crucial implementation choices, we conduct extensive experiments to analyze the influence of decoder design and different settings on the normalization, projection, and sampling methods. Our method achieves 2nd place in the final track with a score of $70.88$, a chamfer distance of $36.87$, and a mean f-score of $59.18$. The source code of our method will be available at https://github.com/em-data/Enhanced_AtlasNet_3DReconstruction., Comment: 5 pages, 2 figures, 5 tables

"Thermal comfort" (TC) -- how comfortable or satisfied a person is with the temperature of her/his surroundings -- is one of the key factors influencing the "indoor environmental quality" of schools, libraries, and offices. We conducted an experiment to explore how TC can impact students' learning. University students (n = 25) were randomly assigned to different temperature conditions in an office environment (25[degrees]C [right arrow] 30[degrees]C, or 30[degrees]C [right arrow] 25[degrees]C) that were implemented using a combination of heaters and air conditioners over a 1.25 hour session. The task of the participants was to learn from tutorial videos on three different topics, and a test was given after each tutorial. The results suggest that (1) changing the room temperature by a few degrees Celsius can stat. sig. impact students' self-reported TC; (2) the relationship between TC and learning exhibited an inverted U-curve, i.e., should be neither too uncomfortable nor too comfortable. We also explored different computer vision and sensor-based approaches to measure students' thermal comfort automatically. We found that (3) TC can be predicted automatically either from the room temperature or from an infra-red (IR) camera of the face; however, (4) TC prediction from a normal (visible-light) web camera is highly challenging, and only limited predictive power was found in the facial expression features to predict thermal comfort. [For the full proceedings, see ED599096.]