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The integration of deep neural networks with the Variational Monte Carlo (VMC) method has marked a significant advancement in solving the Schr\"odinger equation. In this work, we enforce spin symmetry in the neural network-based VMC calculation with modified optimization target. Our method is designed to solve for the ground state and multiple excited states with target spin symmetry at a low computational cost. It predicts accurate energies while maintaining the correct symmetry in strongly correlated systems, even in cases where different spin states are nearly degenerate. Our approach also excels at spin-gap calculations, including the singlet-triplet gap in biradical systems, which is of high interest in photochemistry. Overall, this work establishes a robust framework for efficiently calculating various quantum states with specific spin symmetry in correlated systems, paving the way for novel discoveries in quantum science.

In quantum mechanics, the wave function of fermion systems such as many-body electron systems are anti-symmetric (AS) and continuous, and it is crucial yet challenging to find an ansatz to represent them. This paper addresses this challenge by presenting an ${\widetilde O}(N^2)$ ansatz based on permutation-equivariant functions. We prove that our ansatz can represent any AS continuous functions, and can accommodate the determinant-based structure proposed by Hutter [14], solving the proposed open problems that ${O}(N)$ Slater determinants are sufficient to provide universal representation of AS continuous functions. Together, we offer a generalizable and efficient approach to representing AS continuous functions, shedding light on designing neural networks to learn wave functions.

Solving partial differential equations (PDEs) efficiently is essential for analyzing complex physical systems. Recent advancements in leveraging deep learning for solving PDE have shown significant promise. However, machine learning methods, such as Physics-Informed Neural Networks (PINN), face challenges in handling high-order derivatives of neural network-parameterized functions. Inspired by Forward Laplacian, a recent method of accelerating Laplacian computation, we propose an efficient computational framework, Differential Operator with Forward-propagation (DOF), for calculating general second-order differential operators without losing any precision. We provide rigorous proof of the advantages of our method over existing methods, demonstrating two times improvement in efficiency and reduced memory consumption on any architectures. Empirical results illustrate that our method surpasses traditional automatic differentiation (AutoDiff) techniques, achieving 2x improvement on the MLP structure and nearly 20x improvement on the MLP with Jacobian sparsity.

Long-term fetal heart rate (FHR) monitoring during the antepartum period, increasingly popularized by electronic FHR monitoring, represents a growing approach in FHR monitoring. This kind of continuous monitoring, in contrast to the short-term one, collects an extended period of fetal heart data. This offers a more comprehensive understanding of fetus's conditions. However, the interpretation of long-term antenatal fetal heart monitoring is still in its early stages, lacking corresponding clinical standards. Furthermore, the substantial amount of data generated by continuous monitoring imposes a significant burden on clinical work when analyzed manually. To address above challenges, this study develops an automatic analysis system named LARA (Long-term Antepartum Risk Analysis system) for continuous FHR monitoring, combining deep learning and information fusion methods. LARA's core is a well-established convolutional neural network (CNN) model. It processes long-term FHR data as input and generates a Risk Distribution Map (RDM) and Risk Index (RI) as the analysis results. We evaluate LARA on inner test dataset, the performance metrics are as follows: AUC 0.872, accuracy 0.816, specificity 0.811, sensitivity 0.806, precision 0.271, and F1 score 0.415. In our study, we observe that long-term FHR monitoring data with higher RI is more likely to result in adverse outcomes (p=0.0021). In conclusion, this study introduces LARA, the first automated analysis system for long-term FHR monitoring, initiating the further explorations into its clinical value in the future.

Landslide is a natural disaster that can easily threaten local ecology, people's lives and property. In this paper, we conduct modelling research on real unidirectional surface displacement data of recent landslides in the research area and propose a time series prediction framework named VMD-SegSigmoid-XGBoost-ClusterLSTM (VSXC-LSTM) based on variational mode decomposition, which can predict the landslide surface displacement more accurately. The model performs well on the test set. Except for the random item subsequence that is hard to fit, the root mean square error (RMSE) and the mean absolute percentage error (MAPE) of the trend item subsequence and the periodic item subsequence are both less than 0.1, and the RMSE is as low as 0.006 for the periodic item prediction module based on XGBoost\footnote{Accepted in ICANN2023}.

Neural network-based variational Monte Carlo (NN-VMC) has emerged as a promising cutting-edge technique of ab initio quantum chemistry. However, the high computational cost of existing approaches hinders their applications in realistic chemistry problems. Here, we report the development of a new NN-VMC method that achieves a remarkable speed-up by more than one order of magnitude, thereby greatly extending the applicability of NN-VMC to larger systems. Our key design is a novel computational framework named Forward Laplacian, which computes the Laplacian associated with neural networks, the bottleneck of NN-VMC, through an efficient forward propagation process. We then demonstrate that Forward Laplacian is not only versatile but also facilitates more developments of acceleration methods across various aspects, including optimization for sparse derivative matrix and efficient neural network design. Empirically, our approach enables NN-VMC to investigate a broader range of atoms, molecules and chemical reactions for the first time, providing valuable references to other ab initio methods. The results demonstrate a great potential in applying deep learning methods to solve general quantum mechanical problems.

Large language models (LLMs), typically designed as a function of next-word prediction, have excelled across extensive NLP tasks. Despite the generality, next-word prediction is often not an efficient formulation for many of the tasks, demanding an extreme scale of model parameters (10s or 100s of billions) and sometimes yielding suboptimal performance. In practice, it is often desirable to build more efficient models -- despite being less versatile, they still apply to a substantial subset of problems, delivering on par or even superior performance with much smaller model sizes. In this paper, we propose text alignment as an efficient unified model for a wide range of crucial tasks involving text entailment, similarity, question answering (and answerability), factual consistency, and so forth. Given a pair of texts, the model measures the degree of alignment between their information. We instantiate an alignment model (Align) through lightweight finetuning of RoBERTa (355M parameters) using 5.9M examples from 28 datasets. Despite its compact size, extensive experiments show the model's efficiency and strong performance: (1) On over 20 datasets of aforementioned diverse tasks, the model matches or surpasses FLAN-T5 models that have around 2x or 10x more parameters; the single unified model also outperforms task-specific models finetuned on individual datasets; (2) When applied to evaluate factual consistency of language generation on 23 datasets, our model improves over various baselines, including the much larger GPT-3.5 (ChatGPT) and sometimes even GPT-4; (3) The lightweight model can also serve as an add-on component for LLMs such as GPT-3.5 in question answering tasks, improving the average exact match (EM) score by 17.94 and F1 score by 15.05 through identifying unanswerable questions., Comment: NeurIPS 2023 Camera Ready, Code available at https://github.com/yuh-zha/Align

Many text generation applications require the generated text to be factually consistent with input information. Automatic evaluation of factual consistency is challenging. Previous work has developed various metrics that often depend on specific functions, such as natural language inference (NLI) or question answering (QA), trained on limited data. Those metrics thus can hardly assess diverse factual inconsistencies (e.g., contradictions, hallucinations) that occur in varying inputs/outputs (e.g., sentences, documents) from different tasks. In this paper, we propose AlignScore, a new holistic metric that applies to a variety of factual inconsistency scenarios as above. AlignScore is based on a general function of information alignment between two arbitrary text pieces. Crucially, we develop a unified training framework of the alignment function by integrating a large diversity of data sources, resulting in 4.7M training examples from 7 well-established tasks (NLI, QA, paraphrasing, fact verification, information retrieval, semantic similarity, and summarization). We conduct extensive experiments on large-scale benchmarks including 22 evaluation datasets, where 19 of the datasets were never seen in the alignment training. AlignScore achieves substantial improvement over a wide range of previous metrics. Moreover, AlignScore (355M parameters) matches or even outperforms metrics based on ChatGPT and GPT-4 that are orders of magnitude larger., Comment: 19 pages, 5 figures, ACL2023

Users would experience individually different sickness symptoms during or after navigating through an immersive virtual environment, generally known as cybersickness. Previous studies have predicted the severity of cybersickness based on physiological and/or kinematic data. However, compared with kinematic data, physiological data rely heavily on biosensors during the collection, which is inconvenient and limited to a few affordable VR devices. In this work, we proposed a deep neural network to predict cybersickness through kinematic data. We introduced the encoded physiological representation to characterize the individual susceptibility; therefore, the predictor could predict cybersickness only based on a user's kinematic data without counting on biosensors. Fifty-three participants were recruited to attend the user study to collect multimodal data, including kinematic data (navigation speed, head tracking), physiological signals (e.g., electrodermal activity, heart rate), and Simulator Sickness Questionnaire (SSQ). The predictor achieved an accuracy of 97.8\% for cybersickness prediction by involving the pre-computed physiological representation to characterize individual differences, providing much convenience for the current cybersickness measurement., Comment: Published in IEEE ISMAR 2023 as conference paper

This work presents a dataset collected to predict cybersickness in virtual reality environments. The data was collected from navigation tasks in a virtual environment designed to induce cybersickness. The dataset consists of many data points collected from diverse participants, including physiological responses (EDA and Heart Rate) and self-reported cybersickness symptoms. The paper will provide a detailed description of the dataset, including the arranged navigation task, the data collection procedures, and the data format. The dataset will serve as a valuable resource for researchers to develop and evaluate predictive models for cybersickness and will facilitate more research in cybersickness mitigation.

Pruning well-trained neural networks is effective to achieve a promising accuracy-efficiency trade-off in computer vision regimes. However, most of existing pruning algorithms only focus on the classification task defined on the source domain. Different from the strong transferability of the original model, a pruned network is hard to transfer to complicated downstream tasks such as object detection arXiv:arch-ive/2012.04643. In this paper, we show that the image-level pretrain task is not capable of pruning models for diverse downstream tasks. To mitigate this problem, we introduce image reconstruction, a pixel-level task, into the traditional pruning framework. Concretely, an autoencoder is trained based on the original model, and then the pruning process is optimized with both autoencoder and classification losses. The empirical study on benchmark downstream tasks shows that the proposed method can outperform state-of-the-art results explicitly., Comment: Under review

Multimodal emotion recognition study is hindered by the lack of labelled corpora in terms of scale and diversity, due to the high annotation cost and label ambiguity. In this paper, we propose a pre-training model \textbf{MEmoBERT} for multimodal emotion recognition, which learns multimodal joint representations through self-supervised learning from large-scale unlabeled video data that come in sheer volume. Furthermore, unlike the conventional "pre-train, finetune" paradigm, we propose a prompt-based method that reformulates the downstream emotion classification task as a masked text prediction one, bringing the downstream task closer to the pre-training. Extensive experiments on two benchmark datasets, IEMOCAP and MSP-IMPROV, show that our proposed MEmoBERT significantly enhances emotion recognition performance., Comment: 4 papges, 2 figures

Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features. Although intuitively reasonable, theoretical understanding of what kind of invariance can guarantee OOD generalization is still limited, and generalization to arbitrary out-of-distribution is clearly impossible. In this work, we take the first step towards rigorous and quantitative definitions of 1) what is OOD; and 2) what does it mean by saying an OOD problem is learnable. We also introduce a new concept of expansion function, which characterizes to what extent the variance is amplified in the test domains over the training domains, and therefore give a quantitative meaning of invariant features. Based on these, we prove OOD generalization error bounds. It turns out that OOD generalization largely depends on the expansion function. As recently pointed out by Gulrajani and Lopez-Paz (2020), any OOD learning algorithm without a model selection module is incomplete. Our theory naturally induces a model selection criterion. Extensive experiments on benchmark OOD datasets demonstrate that our model selection criterion has a significant advantage over baselines.

Multi-modal pre-training models have been intensively explored to bridge vision and language in recent years. However, most of them explicitly model the cross-modal interaction between image-text pairs, by assuming that there exists strong semantic correlation between the text and image modalities. Since this strong assumption is often invalid in real-world scenarios, we choose to implicitly model the cross-modal correlation for large-scale multi-modal pre-training, which is the focus of the Chinese project `WenLan' led by our team. Specifically, with the weak correlation assumption over image-text pairs, we propose a two-tower pre-training model called BriVL within the cross-modal contrastive learning framework. Unlike OpenAI CLIP that adopts a simple contrastive learning method, we devise a more advanced algorithm by adapting the latest method MoCo into the cross-modal scenario. By building a large queue-based dictionary, our BriVL can incorporate more negative samples in limited GPU resources. We further construct a large Chinese multi-source image-text dataset called RUC-CAS-WenLan for pre-training our BriVL model. Extensive experiments demonstrate that the pre-trained BriVL model outperforms both UNITER and OpenAI CLIP on various downstream tasks., Comment: This paper is the outcome of the Chinese multi-modal pre-training project called 'WenLan'

People have made remarkable progress in game AIs, especially in domain of perfect information game. However, trick-taking poker game, as a popular form of imperfect information game, has been regarded as a challenge for a long time. Since trick-taking game requires high level of not only reasoning, but also inference to excel, it can be a new milestone for imperfect information game AI. We study Gongzhu, a trick-taking game analogous to, but slightly simpler than contract bridge. Nonetheless, the strategies of Gongzhu are complex enough for both human and computer players. We train a strong Gongzhu AI ScrofaZero from \textit{tabula rasa} by deep reinforcement learning, while few previous efforts on solving trick-taking poker game utilize the representation power of neural networks. Also, we introduce new techniques for imperfect information game including stratified sampling, importance weighting, integral over equivalent class, Bayesian inference, etc. Our AI can achieve human expert level performance. The methodologies in building our program can be easily transferred into a wide range of trick-taking games., Comment: The very first versoin. Will be improved in the future

Automatic emotion recognition is an active research topic with wide range of applications. Due to the high manual annotation cost and inevitable label ambiguity, the development of emotion recognition dataset is limited in both scale and quality. Therefore, one of the key challenges is how to build effective models with limited data resource. Previous works have explored different approaches to tackle this challenge including data enhancement, transfer learning, and semi-supervised learning etc. However, the weakness of these existing approaches includes such as training instability, large performance loss during transfer, or marginal improvement. In this work, we propose a novel semi-supervised multi-modal emotion recognition model based on cross-modality distribution matching, which leverages abundant unlabeled data to enhance the model training under the assumption that the inner emotional status is consistent at the utterance level across modalities. We conduct extensive experiments to evaluate the proposed model on two benchmark datasets, IEMOCAP and MELD. The experiment results prove that the proposed semi-supervised learning model can effectively utilize unlabeled data and combine multi-modalities to boost the emotion recognition performance, which outperforms other state-of-the-art approaches under the same condition. The proposed model also achieves competitive capacity compared with existing approaches which take advantage of additional auxiliary information such as speaker and interaction context., Comment: 10 pages, 5 figures, to be published on ACM Multimedia 2020

This paper is a brief report for MUSE2020 challenge. We present our solution for Muse-Wild sub challenge. The aim of this challenge is to investigate sentiment analysis method in real-world situation. Our solutions achieve the best CCC performance of 0.4670, 0.3571 for arousal, and valence respectively on the challenge validation set, which outperforms the baseline system with corresponding CCC of 0.3078 and 1506.