深度学习方法已被证明可以有效地表示量子多体系统的地面波函数。现有方法由于其图像样结构而使用卷积神经网络（CNN）进行方格。对于非方格晶格，现有方法使用图形神经网络（GNN），其中未精确捕获结构信息，从而需要其他手工制作的Sublattice编码。在这项工作中，我们提出了晶格卷积，其中使用一组建议的操作将非方格晶格转换为类似网格的增强晶格，可以在上进行定期卷积。根据提议的晶格卷积，我们设计了使用自我门控和注意机制的晶格卷积网络（LCN）。实验结果表明，我们的方法在PAR上的性能或比Spin 1/2 $ J_1 $ - $ J_2 $ HEISENBERG模型在Square，Honeycomb，Triangular和Kagome Lattices上的现有方法更好，而无需使用手工制作的编码。

Domain adaptive detection aims to improve the generalization of detectors on target domain. To reduce discrepancy in feature distributions between two domains, recent approaches achieve domain adaption through feature alignment in different granularities via adversarial learning. However, they neglect the relationship between multiple granularities and different features in alignment, degrading detection. Addressing this, we introduce a unified multi-granularity alignment (MGA)-based detection framework for domain-invariant feature learning. The key is to encode the dependencies across different granularities including pixel-, instance-, and category-levels simultaneously to align two domains. Specifically, based on pixel-level features, we first develop an omni-scale gated fusion (OSGF) module to aggregate discriminative representations of instances with scale-aware convolutions, leading to robust multi-scale detection. Besides, we introduce multi-granularity discriminators to identify where, either source or target domains, different granularities of samples come from. Note that, MGA not only leverages instance discriminability in different categories but also exploits category consistency between two domains for detection. Furthermore, we present an adaptive exponential moving average (AEMA) strategy that explores model assessments for model update to improve pseudo labels and alleviate local misalignment problem, boosting detection robustness. Extensive experiments on multiple domain adaption scenarios validate the superiority of MGA over other approaches on FCOS and Faster R-CNN detectors. Code will be released at https://github.com/tiankongzhang/MGA.

Function approximation (FA) has been a critical component in solving large zero-sum games. Yet, little attention has been given towards FA in solving \textit{general-sum} extensive-form games, despite them being widely regarded as being computationally more challenging than their fully competitive or cooperative counterparts. A key challenge is that for many equilibria in general-sum games, no simple analogue to the state value function used in Markov Decision Processes and zero-sum games exists. In this paper, we propose learning the \textit{Enforceable Payoff Frontier} (EPF) -- a generalization of the state value function for general-sum games. We approximate the optimal \textit{Stackelberg extensive-form correlated equilibrium} by representing EPFs with neural networks and training them by using appropriate backup operations and loss functions. This is the first method that applies FA to the Stackelberg setting, allowing us to scale to much larger games while still enjoying performance guarantees based on FA error. Additionally, our proposed method guarantees incentive compatibility and is easy to evaluate without having to depend on self-play or approximate best-response oracles.

Correlated Equilibrium is a solution concept that is more general than Nash Equilibrium (NE) and can lead to outcomes with better social welfare. However, its natural extension to the sequential setting, the \textit{Extensive Form Correlated Equilibrium} (EFCE), requires a quadratic amount of space to solve, even in restricted settings without randomness in nature. To alleviate these concerns, we apply \textit{subgame resolving}, a technique extremely successful in finding NE in zero-sum games to solving general-sum EFCEs. Subgame resolving refines a correlation plan in an \textit{online} manner: instead of solving for the full game upfront, it only solves for strategies in subgames that are reached in actual play, resulting in significant computational gains. In this paper, we (i) lay out the foundations to quantify the quality of a refined strategy, in terms of the \textit{social welfare} and \textit{exploitability} of correlation plans, (ii) show that EFCEs possess a sufficient amount of independence between subgames to perform resolving efficiently, and (iii) provide two algorithms for resolving, one using linear programming and the other based on regret minimization. Both methods guarantee \textit{safety}, i.e., they will never be counterproductive. Our methods are the first time an online method has been applied to the correlated, general-sum setting.

Supervised learning methods have been suffering from the fact that a large-scale labeled dataset is mandatory, which is difficult to obtain. This has been a more significant issue for fashion compatibility prediction because compatibility aims to capture people's perception of aesthetics, which are sparse and changing. Thus, the labeled dataset may become outdated quickly due to fast fashion. Moreover, labeling the dataset always needs some expert knowledge; at least they should have a good sense of aesthetics. However, there are limited self/semi-supervised learning techniques in this field. In this paper, we propose a general color distortion prediction task forcing the baseline to recognize low-level image information to learn more discriminative representation for fashion compatibility prediction. Specifically, we first propose to distort the image by adjusting the image color balance, contrast, sharpness, and brightness. Then, we propose adding Gaussian noise to the distorted image before passing them to the convolutional neural network (CNN) backbone to learn a probability distribution over all possible distortions. The proposed pretext task is adopted in the state-of-the-art methods in fashion compatibility and shows its effectiveness in improving these methods' ability in extracting better feature representations. Applying the proposed pretext task to the baseline can consistently outperform the original baseline.

Continual Learning is considered a key step toward next-generation Artificial Intelligence. Among various methods, replay-based approaches that maintain and replay a small episodic memory of previous samples are one of the most successful strategies against catastrophic forgetting. However, since forgetting is inevitable given bounded memory and unbounded tasks, how to forget is a problem continual learning must address. Therefore, beyond simply avoiding catastrophic forgetting, an under-explored issue is how to reasonably forget while ensuring the merits of human memory, including 1. storage efficiency, 2. generalizability, and 3. some interpretability. To achieve these simultaneously, our paper proposes a new saliency-augmented memory completion framework for continual learning, inspired by recent discoveries in memory completion separation in cognitive neuroscience. Specifically, we innovatively propose to store the part of the image most important to the tasks in episodic memory by saliency map extraction and memory encoding. When learning new tasks, previous data from memory are inpainted by an adaptive data generation module, which is inspired by how humans complete episodic memory. The module's parameters are shared across all tasks and it can be jointly trained with a continual learning classifier as bilevel optimization. Extensive experiments on several continual learning and image classification benchmarks demonstrate the proposed method's effectiveness and efficiency.

We are introducing a multi-scale predictive model for video prediction here, whose design is inspired by the "Predictive Coding" theories and "Coarse to Fine" approach. As a predictive coding model, it is updated by a combination of bottom-up and top-down information flows, which is different from traditional bottom-up training style. Its advantage is to reduce the dependence on input information and improve its ability to predict and generate images. Importantly, we achieve with a multi-scale approach -- higher level neurons generate coarser predictions (lower resolution), while the lower level generate finer predictions (higher resolution). This is different from the traditional predictive coding framework in which higher level predict the activity of neurons in lower level. To improve the predictive ability, we integrate an encoder-decoder network in the LSTM architecture and share the final encoded high-level semantic information between different levels. Additionally, since the output of each network level is an RGB image, a smaller LSTM hidden state can be used to retain and update the only necessary hidden information, avoiding being mapped to an overly discrete and complex space. In this way, we can reduce the difficulty of prediction and the computational overhead. Finally, we further explore the training strategies, to address the instability in adversarial training and mismatch between training and testing in long-term prediction. Code is available at https://github.com/Ling-CF/MSPN.

There is increasing adoption of artificial intelligence in drug discovery. However, existing works use machine learning to mainly utilize the chemical structures of molecules yet ignore the vast textual knowledge available in chemistry. Incorporating textual knowledge enables us to realize new drug design objectives, adapt to text-based instructions, and predict complex biological activities. We present a multi-modal molecule structure-text model, MoleculeSTM, by jointly learning molecule's chemical structures and textual descriptions via a contrastive learning strategy. To train MoleculeSTM, we construct the largest multi-modal dataset to date, namely PubChemSTM, with over 280K chemical structure-text pairs. To demonstrate the effectiveness and utility of MoleculeSTM, we design two challenging zero-shot tasks based on text instructions, including structure-text retrieval and molecule editing. MoleculeSTM possesses two main properties: open vocabulary and compositionality via natural language. In experiments, MoleculeSTM obtains the state-of-the-art generalization ability to novel biochemical concepts across various benchmarks.

With increasing scale, large language models demonstrate both quantitative improvement and new qualitative capabilities, especially as zero-shot learners, like GPT-3. However, these results rely heavily on delicate prompt design and large computation. In this work, we explore whether the strong zero-shot ability could be achieved at a smaller model scale without any external supervised data. To achieve this goal, we revisit masked language modeling and present a geometry-guided self-supervised learning method (Go-tuningfor short) by taking a small number of task-aware self-supervised data to update language models further. Experiments show that Go-tuning can enable T5-small (80M) competitive zero-shot results compared with large language models, such as T5-XL (3B). We also apply Go-tuning on multi-task settings and develop a multi-task model, mgo-T5 (250M). It can reach the average performance of OPT (175B) on 9 datasets.

Diffusion model, a new generative modelling paradigm, has achieved great success in image, audio, and video generation. However, considering the discrete categorical nature of text, it is not trivial to extend continuous diffusion models to natural language, and text diffusion models are less studied. Sequence-to-sequence text generation is one of the essential natural language processing topics. In this work, we apply diffusion models to approach sequence-to-sequence text generation, and explore whether the superiority generation performance of diffusion model can transfer to natural language domain. We propose SeqDiffuSeq, a text diffusion model for sequence-to-sequence generation. SeqDiffuSeq uses an encoder-decoder Transformers architecture to model denoising function. In order to improve generation quality, SeqDiffuSeq combines the self-conditioning technique and a newly proposed adaptive noise schedule technique. The adaptive noise schedule has the difficulty of denoising evenly distributed across time steps, and considers exclusive noise schedules for tokens at different positional order. Experiment results illustrate the good performance on sequence-to-sequence generation in terms of text quality and inference time.