Hot news is one of the most popular topics in daily conversations. However, news grounded conversation has long been stymied by the lack of well-designed task definition and scarce data. In this paper, we propose a novel task, Proactive News Grounded Conversation, in which a dialogue system can proactively lead the conversation based on some key topics of the news. In addition, both information-seeking and chit-chat scenarios are included realistically, where the user may ask a series of questions about the news details or express their opinions and be eager to chat. To further develop this novel task, we collect a human-to-human Chinese dialogue dataset \ts{NewsDialogues}, which includes 1K conversations with a total of 14.6K utterances and detailed annotations for target topics and knowledge spans. Furthermore, we propose a method named Predict-Generate-Rank, consisting of a generator for grounded knowledge prediction and response generation, and a ranker for the ranking of multiple responses to alleviate the exposure bias. We conduct comprehensive experiments to demonstrate the effectiveness of the proposed method and further present several key findings and challenges to prompt future research.

Information-seeking conversation, which aims to help users gather information through conversation, has achieved great progress in recent years. However, the research is still stymied by the scarcity of training data. To alleviate this problem, we propose AutoConv for synthetic conversation generation, which takes advantage of the few-shot learning ability and generation capacity of large language models (LLM). Specifically, we formulate the conversation generation problem as a language modeling task, then finetune an LLM with a few human conversations to capture the characteristics of the information-seeking process and use it for generating synthetic conversations with high quality. Experimental results on two frequently-used datasets verify that AutoConv has substantial improvements over strong baselines and alleviates the dependence on human annotation. In addition, we also provide several analysis studies to promote future research.

Communication overhead is one of the major challenges in Federated Learning(FL). A few classical schemes assume the server can extract the auxiliary information about training data of the participants from the local models to construct a central dummy dataset. The server uses the dummy dataset to finetune aggregated global model to achieve the target test accuracy in fewer communication rounds. In this paper, we summarize the above solutions into a data-based communication-efficient FL framework. The key of the proposed framework is to design an efficient extraction module(EM) which ensures the dummy dataset has a positive effect on finetuning aggregated global model. Different from the existing methods that use generator to design EM, our proposed method, FedINIBoost borrows the idea of gradient match to construct EM. Specifically, FedINIBoost builds a proxy dataset of the real dataset in two steps for each participant at each communication round. Then the server aggregates all the proxy datasets to form a central dummy dataset, which is used to finetune aggregated global model. Extensive experiments verify the superiority of our method compared with the existing classical method, FedAVG, FedProx, Moon and FedFTG. Moreover, FedINIBoost plays a significant role in finetuning the performance of aggregated global model at the initial stage of FL.

Natural language is expected to be a key medium for various human-machine interactions in the era of large language models. When it comes to the biochemistry field, a series of tasks around molecules (e.g., property prediction, molecule mining, etc.) are of great significance while having a high technical threshold. Bridging the molecule expressions in natural language and chemical language can not only hugely improve the interpretability and reduce the operation difficulty of these tasks, but also fuse the chemical knowledge scattered in complementary materials for a deeper comprehension of molecules. Based on these benefits, we propose the conversational molecular design, a novel task adopting natural language for describing and editing target molecules. To better accomplish this task, we design ChatMol, a knowledgeable and versatile generative pre-trained model, enhanced by injecting experimental property information, molecular spatial knowledge, and the associations between natural and chemical languages into it. Several typical solutions including large language models (e.g., ChatGPT) are evaluated, proving the challenge of conversational molecular design and the effectiveness of our knowledge enhancement method. Case observations and analysis are conducted to provide directions for further exploration of natural-language interaction in molecular discovery.

Humans possess an extraordinary ability to create and utilize tools, allowing them to overcome physical limitations and explore new frontiers. With the advent of foundation models, AI systems have the potential to be equally adept in tool use as humans. This paradigm, i.e., tool learning with foundation models, combines the strengths of specialized tools and foundation models to achieve enhanced accuracy, efficiency, and automation in problem-solving. Despite its immense potential, there is still a lack of a comprehensive understanding of key challenges, opportunities, and future endeavors in this field. To this end, we present a systematic investigation of tool learning in this paper. We first introduce the background of tool learning, including its cognitive origins, the paradigm shift of foundation models, and the complementary roles of tools and models. Then we recapitulate existing tool learning research into tool-augmented and tool-oriented learning. We formulate a general tool learning framework: starting from understanding the user instruction, models should learn to decompose a complex task into several subtasks, dynamically adjust their plan through reasoning, and effectively conquer each sub-task by selecting appropriate tools. We also discuss how to train models for improved tool-use capabilities and facilitate the generalization in tool learning. Considering the lack of a systematic tool learning evaluation in prior works, we experiment with 18 representative tools and show the potential of current foundation models in skillfully utilizing tools. Finally, we discuss several open problems that require further investigation for tool learning. Overall, we hope this paper could inspire future research in integrating tools with foundation models.

In the field of antibody engineering, an essential task is to design a novel antibody whose paratopes bind to a specific antigen with correct epitopes. Understanding antibody structure and its paratope can facilitate a mechanistic understanding of its function. Therefore, antibody structure prediction from its sequence alone has always been a highly valuable problem for de novo antibody design. AlphaFold2, a breakthrough in the field of structural biology, provides a solution to predict protein structure based on protein sequences and computationally expensive coevolutionary multiple sequence alignments (MSAs). However, the computational efficiency and undesirable prediction accuracy of antibodies, especially on the complementarity-determining regions (CDRs) of antibodies limit their applications in the industrially high-throughput drug design. To learn an informative representation of antibodies, we employed a deep antibody language model (ALM) on curated sequences from the observed antibody space database via a transformer model. We also developed a novel model named xTrimoABFold to predict antibody structure from antibody sequence based on the pretrained ALM as well as efficient evoformers and structural modules. The model was trained end-to-end on the antibody structures in PDB by minimizing the ensemble loss of domain-specific focal loss on CDR and the frame-aligned point loss. xTrimoABFold outperforms AlphaFold2 and other protein language model based SOTAs, e.g., OmegaFold, HelixFold-Single, and IgFold with a large significant margin (30+\% improvement on RMSD) while performing 151 times faster than AlphaFold2. To the best of our knowledge, xTrimoABFold achieved state-of-the-art antibody structure prediction. Its improvement in both accuracy and efficiency makes it a valuable tool for de novo antibody design and could make further improvements in immuno-theory.

Most recent self-supervised learning methods are pre-trained on the well-curated ImageNet-1K dataset. In this work, given the excellent scalability of web data, we consider self-supervised pre-training on noisy web sourced image-text paired data. First, we conduct a benchmark study of representative self-supervised pre-training methods on large-scale web data in a like-for-like setting. We compare a range of methods, including single-modal ones that use masked training objectives and multi-modal ones that use image-text constrastive training. We observe that existing multi-modal methods do not outperform their single-modal counterparts on vision transfer learning tasks. We derive an information-theoretical view to explain these benchmark results, which provides insight into how to design a novel vision learner. Inspired by this insight, we present a new visual representation pre-training method, MUlti-modal Generator~(MUG), that learns from scalable web sourced image-text data. MUG achieves state-of-the-art transfer performance on a variety of tasks and demonstrates promising scaling properties. Pre-trained models and code will be made public upon acceptance.

Abnormal event detection, which refers to mining unusual interactions among involved entities, plays an important role in many real applications. Previous works mostly over-simplify this task as detecting abnormal pair-wise interactions. However, real-world events may contain multi-typed attributed entities and complex interactions among them, which forms an Attributed Heterogeneous Information Network (AHIN). With the boom of social networks, abnormal event detection in AHIN has become an important, but seldom explored task. In this paper, we firstly study the unsupervised abnormal event detection problem in AHIN. The events are considered as star-schema instances of AHIN and are further modeled by hypergraphs. A novel hypergraph contrastive learning method, named AEHCL, is proposed to fully capture abnormal event patterns. AEHCL designs the intra-event and inter-event contrastive modules to exploit self-supervised AHIN information. The intra-event contrastive module captures the pair-wise and multivariate interaction anomalies within an event, and the inter-event module captures the contextual anomalies among events. These two modules collaboratively boost the performance of each other and improve the detection results. During the testing phase, a contrastive learning-based abnormal event score function is further proposed to measure the abnormality degree of events. Extensive experiments on three datasets in different scenarios demonstrate the effectiveness of AEHCL, and the results improve state-of-the-art baselines up to 12.0% in Average Precision (AP) and 4.6% in Area Under Curve (AUC) respectively.

We present a lightweighted neural PDE representation to discover the hidden structure and predict the solution of different nonlinear PDEs. Our key idea is to leverage the prior of ``translational similarity'' of numerical PDE differential operators to drastically reduce the scale of learning model and training data. We implemented three central network components, including a neural functional convolution operator, a Picard forward iterative procedure, and an adjoint backward gradient calculator. Our novel paradigm fully leverages the multifaceted priors that stem from the sparse and smooth nature of the physical PDE solution manifold and the various mature numerical techniques such as adjoint solver, linearization, and iterative procedure to accelerate the computation. We demonstrate the efficacy of our method by robustly discovering the model and accurately predicting the solutions of various types of PDEs with small-scale networks and training sets. We highlight that all the PDE examples we showed were trained with up to 8 data samples and within 325 network parameters.

Contrastive learning (CL), which can extract the information shared between different contrastive views, has become a popular paradigm for vision representation learning. Inspired by the success in computer vision, recent work introduces CL into graph modeling, dubbed as graph contrastive learning (GCL). However, generating contrastive views in graphs is more challenging than that in images, since we have little prior knowledge on how to significantly augment a graph without changing its labels. We argue that typical data augmentation techniques (e.g., edge dropping) in GCL cannot generate diverse enough contrastive views to filter out noises. Moreover, previous GCL methods employ two view encoders with exactly the same neural architecture and tied parameters, which further harms the diversity of augmented views. To address this limitation, we propose a novel paradigm named model augmented GCL (MA-GCL), which will focus on manipulating the architectures of view encoders instead of perturbing graph inputs. Specifically, we present three easy-to-implement model augmentation tricks for GCL, namely asymmetric, random and shuffling, which can respectively help alleviate high- frequency noises, enrich training instances and bring safer augmentations. All three tricks are compatible with typical data augmentations. Experimental results show that MA-GCL can achieve state-of-the-art performance on node classification benchmarks by applying the three tricks on a simple base model. Extensive studies also validate our motivation and the effectiveness of each trick. (Code, data and appendix are available at https://github.com/GXM1141/MA-GCL. )