Molecular representation learning is crucial for the problem of molecular property prediction, where graph neural networks (GNNs) serve as an effective solution due to their structure modeling capabilities. Since labeled data is often scarce and expensive to obtain, it is a great challenge for GNNs to generalize in the extensive molecular space. Recently, the training paradigm of "pre-train, fine-tune" has been leveraged to improve the generalization capabilities of GNNs. It uses self-supervised information to pre-train the GNN, and then performs fine-tuning to optimize the downstream task with just a few labels. However, pre-training does not always yield statistically significant improvement, especially for self-supervised learning with random structural masking. In fact, the molecular structure is characterized by motif subgraphs, which are frequently occurring and influence molecular properties. To leverage the task-related motifs, we propose a novel paradigm of "pre-train, prompt, fine-tune" for molecular representation learning, named molecule continuous prompt tuning (MolCPT). MolCPT defines a motif prompting function that uses the pre-trained model to project the standalone input into an expressive prompt. The prompt effectively augments the molecular graph with meaningful motifs in the continuous representation space; this provides more structural patterns to aid the downstream classifier in identifying molecular properties. Extensive experiments on several benchmark datasets show that MolCPT efficiently generalizes pre-trained GNNs for molecular property prediction, with or without a few fine-tuning steps.

PyPose is an open-source library for robot learning. It combines a learning-based approach with physics-based optimization, which enables seamless end-to-end robot learning. It has been used in many tasks due to its meticulously designed application programming interface (API) and efficient implementation. From its initial launch in early 2022, PyPose has experienced significant enhancements, incorporating a wide variety of new features into its platform. To satisfy the growing demand for understanding and utilizing the library and reduce the learning curve of new users, we present the fundamental design principle of the imperative programming interface, and showcase the flexible usage of diverse functionalities and modules using an extremely simple Dubins car example. We also demonstrate that the PyPose can be easily used to navigate a real quadruped robot with a few lines of code.

Large Language Models (LLMs) still struggle with complex reasoning tasks. Motivated by the society of minds (Minsky, 1988), we propose ReConcile, a multi-model multi-agent framework designed as a round table conference among diverse LLM agents to foster diverse thoughts and discussion for improved consensus. ReConcile enhances the reasoning capabilities of LLMs by holding multiple rounds of discussion, learning to convince other agents to improve their answers, and employing a confidence-weighted voting mechanism. In each round, ReConcile initiates discussion between agents via a 'discussion prompt' that consists of (a) grouped answers and explanations generated by each agent in the previous round, (b) their uncertainties, and (c) demonstrations of answer-rectifying human explanations, used for convincing other agents. This discussion prompt enables each agent to revise their responses in light of insights from other agents. Once a consensus is reached and the discussion ends, ReConcile determines the final answer by leveraging the confidence of each agent in a weighted voting scheme. We implement ReConcile with ChatGPT, Bard, and Claude2 as the three agents. Our experimental results on various benchmarks demonstrate that ReConcile significantly enhances the reasoning performance of the agents (both individually and as a team), surpassing prior single-agent and multi-agent baselines by 7.7% and also outperforming GPT-4 on some of these datasets. We also experiment with GPT-4 itself as one of the agents in ReConcile and demonstrate that its initial performance also improves by absolute 10.0% through discussion and feedback from other agents. Finally, we also analyze the accuracy after every round and observe that ReConcile achieves better and faster consensus between agents, compared to a multi-agent debate baseline. Our code is available at: https://github.com/dinobby/ReConcile

How can we ensure that Ubiquitous Computing (UbiComp) research outcomes are both ethical and fair? While fairness in machine learning (ML) has gained traction in recent years, fairness in UbiComp remains unexplored. This workshop aims to discuss fairness in UbiComp research and its social, technical, and legal implications. From a social perspective, we will examine the relationship between fairness and UbiComp research and identify pathways to ensure that ubiquitous technologies do not cause harm or infringe on individual rights. From a technical perspective, we will initiate a discussion on data practices to develop bias mitigation approaches tailored to UbiComp research. From a legal perspective, we will examine how new policies shape our community's work and future research. We aim to foster a vibrant community centered around the topic of responsible UbiComp, while also charting a clear path for future research endeavours in this field.

Lately, Large Language Models have been widely used in code generation. GPT4 is considered the most potent Large Language Model from Openai. In this paper, we examine GPT3.5 and GPT4 as coding assistants. More specifically, we have constructed appropriate tests to check whether the two systems can a) answer typical questions that can arise during the code development, b) produce reliable code, and c) contribute to code debugging. The test results are impressive. The performance of GPT4 is outstanding and signals an increase in the productivity of programmers and the reorganization of software development procedures based on these new tools.

Neural language models have exhibited outstanding performance in a range of downstream tasks. However, there is limited understanding regarding the extent to which these models internalize syntactic knowledge, so that various datasets have recently been constructed to facilitate syntactic evaluation of language models across languages. In this paper, we introduce JCoLA (Japanese Corpus of Linguistic Acceptability), which consists of 10,020 sentences annotated with binary acceptability judgments. Specifically, those sentences are manually extracted from linguistics textbooks, handbooks and journal articles, and split into in-domain data (86 %; relatively simple acceptability judgments extracted from textbooks and handbooks) and out-of-domain data (14 %; theoretically significant acceptability judgments extracted from journal articles), the latter of which is categorized by 12 linguistic phenomena. We then evaluate the syntactic knowledge of 9 different types of Japanese language models on JCoLA. The results demonstrated that several models could surpass human performance for the in-domain data, while no models were able to exceed human performance for the out-of-domain data. Error analyses by linguistic phenomena further revealed that although neural language models are adept at handling local syntactic dependencies like argument structure, their performance wanes when confronted with long-distance syntactic dependencies like verbal agreement and NPI licensing.

Motivated by the success of transformers in various fields, such as language understanding and image analysis, this investigation explores their application in the context of the game of Go. In particular, our study focuses on the analysis of the Transformer in Vision. Through a detailed analysis of numerous points such as prediction accuracy, win rates, memory, speed, size, or even learning rate, we have been able to highlight the substantial role that transformers can play in the game of Go. This study was carried out by comparing them to the usual Residual Networks.

Recent transportation research suggests that autonomous vehicles (AVs) have the potential to improve traffic flow efficiency as they are able to maintain smaller car-following distances. Nevertheless, being a unique class of ground robots, AVs are susceptible to robotic errors, particularly in their perception module, leading to uncertainties in their movements and an increased risk of collisions. Consequently, conservative operational strategies, such as larger headway and slower speeds, are implemented to prioritize safety over traffic capacity in real-world operations. To reconcile the inconsistency, this paper proposes an analytical model framework that delineates the endogenous reciprocity between traffic safety and efficiency that arises from robotic uncertainty in AVs. Car-following scenarios are extensively examined, with uncertain headway as the key parameter for bridging the single-lane capacity and the collision probability. A Markov chain is then introduced to describe the dynamics of the lane capacity, and the resulting expected collision-inclusive capacity is adopted as the ultimate performance measure for fully autonomous traffic. With the help of this analytical model, it is possible to support the settings of critical parameters in AV operations and incorporate optimization techniques to assist traffic management strategies for autonomous traffic.

This study proposes an extendable modelling framework for Digital Twin-Oriented Complex Networked Systems (DT-CNSs) with a goal of generating networks that faithfully represent real systems. Modelling process focuses on (i) features of nodes and (ii) interaction rules for creating connections that are built based on individual node's preferences. We conduct experiments on simulation-based DT-CNSs that incorporate various features and rules about network growth and different transmissibilities related to an epidemic spread on these networks. We present a case study on disaster resilience of social networks given an epidemic outbreak by investigating the infection occurrence within specific time and social distance. The experimental results show how different levels of the structural and dynamics complexities, concerned with feature diversity and flexibility of interaction rules respectively, influence network growth and epidemic spread. The analysis revealed that, to achieve maximum disaster resilience, mitigation policies should be targeted at nodes with preferred features as they have higher infection risks and should be the focus of the epidemic control.

Making the contents generated by Large Language Model (LLM) such as ChatGPT, accurate, credible and traceable is crucial, especially in complex knowledge-intensive tasks that require multi-step reasoning and each of which needs knowledge to solve. Introducing Information Retrieval (IR) to provide LLM with external knowledge is good potential to solve this problem. However, where and how to introduce IR into LLM is a big challenge. Previous work has the disadvantage that the wrong knowledge retrieved by IR misleads the LLM or breaks the reasoning chain of LLM. In this paper, we propose a novel framework called Search-in-the-Chain (SearChain) for the interaction between LLM and IR to solve the challenges. First, LLM generates the global reasoning chain called Chain-of-Query (CoQ) where each node consists of an IR-oriented query and the answer to the query. Second, IR verifies the answer of each node of CoQ, it corrects the answer that is not consistent with the retrieved information when IR gives high confidence, which improves the credibility. Third, LLM can mark its missing knowledge in CoQ and IR can provide this knowledge to LLM. These three operations improve the accuracy of LLM for complex knowledge-intensive tasks in terms of reasoning ability and knowledge. Finally, SearChain generates the reasoning process and marks references to supporting documents for each reasoning step, which improves traceability. SearChain transforms the topology of reasoning from chain to tree, which can modify the reasoning direction. Experiment shows that SearChain outperforms baselines on complex knowledge-intensive tasks including multi-hop question-answering, slot filling, fact checking, and long-form question-answering.