Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song, et al.,2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., 200x speedup (10 v.s. 2000 steps network forwards) compared with previous Diffusion-based methods on MP-20 dataset.

Metal-Organic Frameworks (MOFs) have attracted considerable attention due to their unique properties including high surface area and tunable porosity, and promising applications in catalysis, gas storage, and drug delivery. Structure prediction for MOFs is a challenging task, as these frameworks are intrinsically periodic and hierarchically organized, where the entire structure is assembled from building blocks like metal nodes and organic linkers. To address this, we introduce MOF-BFN, a novel generative model for MOF structure prediction based on Bayesian Flow Networks (BFNs). Given the local geometry of building blocks, MOF-BFN jointly predicts the lattice parameters, as well as the positions and orientations of all building blocks within the unit cell. In particular, the positions are modelled in the fractional coordinate system to naturally incorporate the periodicity. Meanwhile, the orientations are modeled as unit quaternions sampled from learned Bingham distributions via the proposed Bingham BFN, enabling effective orientation generation on the 4D unit hypersphere. Experimental results demonstrate that MOF-BFN achieves state-of-the-art performance across multiple tasks, including structure prediction, geometric property evaluation, and de novo generation, offering a promising tool for designing complex MOF materials.

Out-of-distribution (OOD) detection, a fundamental task vexing real-world applications, has attracted growing attention in the NLP community.Recently fine-tuning based methods have made promising progress.However, it could be costly to store fine-tuned models for each scenario.In this paper, we depart from the classic fine-tuning based OOD detection toward a parameter-efficient alternative, and propose an unsupervised prefix-tuning based OOD detection framework termed PTO.Additionally, to take advantage of optional training data labels and targeted OOD data, two practical extensions of PTO are further proposed.Overall, PTO and its extensions offer several key advantages of being lightweight, easy-to-reproduce, and theoretically justified.Experimental results show that our methods perform comparably to, even better than, existing fine-tuning based OOD detection approaches under a wide range of metrics, detection settings, and OOD types.

Multimodal Aspect-based Sentiment Analysis (MABSA) is a fine-grained Sentiment Analysis task, which has attracted growing research interests recently.Existing work mainly utilizes image information to improve the performance of MABSA task.However, most of the studies overestimate the importance of images since there are many noisy images unrelated to the text in the dataset, which will have a negative impact on model learning.Although some work attempts to filter low-quality noisy images by setting thresholds, relying on thresholds will inevitably filter out a lot of useful image information.Therefore, in this work, we focus on whether the negative impact of noisy images can be reduced without filtering the data.To achieve this goal, we borrow the idea of Curriculum Learning and propose a Multi-grained Multi-curriculum Denoising Framework (M2DF), which can achieve denoising by adjusting the order of training data.Extensive experimental results show that our framework consistently outperforms state-ofthe-art work on three sub-tasks of MABSA.Our code and datasets are available at https: //github.com/grandchicken/M2DF.

Multi-class unknown intent detection has made remarkable progress recently. However, it has a strong assumption that each utterance has only one intent, which does not conform to reality because utterances often have multiple intents. In this paper, we propose a more desirable task, multi-label unknown intent detection, to detect whether the utterance contains the unknown intent, in which each utterance may contain multiple intents. In this task, the unique utterances simultaneously containing known and unknown intents make existing multi-class methods easy to fail. To address this issue, we propose an intuitive and effective method to recognize whether All Intents contained in the utterance are Known (AIK). Our high-level idea is to predict the utterance’s intent number, then check whether the utterance contains the same number of known intents. If the number of known intents is less than the number of intents, it implies that the utterance also contains unknown intents. We benchmark AIK over existing methods, and empirical results suggest that our method obtains state-of-the-art performances. For example, on the MultiWOZ 2.3 dataset, AIK significantly reduces the FPR95 by 12.25% compared to the best baseline.

Meta-learning has recently emerged as a promising technique to address the challenge of few-shot learning. However, standard meta-learning methods mainly focus on visual tasks, which makes it hard for them to deal with diverse text data directly. In this paper, we introduce a novel framework for few-shot text classification, which is named as MEta-learning with Data Augmentation (MEDA). MEDA is composed of two modules, a ball generator and a meta-learner, which are learned jointly. The ball generator is to increase the number of shots per class by generating more samples, so that meta-learner can be trained with both original and augmented samples. It is worth noting that ball generator is agnostic to the choice of the meta-learning methods. Experiment results show that on both datasets, MEDA outperforms existing state-of-the-art methods and significantly improves the performance of meta-learning on few-shot text classification.

Recent proposed approaches have made promising progress in dialogue state tracking (DST). However, in multi-domain scenarios, ellipsis and reference are frequently adopted by users to express values that have been mentioned by slots from other domains. To handle these phenomena, we propose a Dialogue State Tracking with Slot Connections (DST-SC) model to explicitly consider slot correlations across different domains. Given a target slot, the slot connecting mechanism in DST-SC can infer its source slot and copy the source slot value directly, thus significantly reducing the difficulty of learning and reasoning. Experimental results verify the benefits of explicit slot connection modeling, and our model achieves state-of-the-art performance on MultiWOZ 2.0 and MultiWOZ 2.1 datasets.