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Matching molecular analogues is a computational chemistry and bioinformatics research issue which is used to identify molecules that are structurally or functionally similar to a target molecule. Recent studies on matching analogous molecules have predominantly concentrated on enhancing effectiveness, often sidelining computational efficiency, particularly in contexts of low computational resources. This oversight poses challenges in many real applications (e.g., drug discovery, catalyst generation and so forth). To tackle this issue, we propose a general strategy named MapLE, aiming to promptly match analogous molecules with low computational resources by multi-metrics evaluation. Experimental evaluation conducted on a public biomolecular dataset validates the excellent and efficient performance of the proposed strategy.

AAAI 2024

MapLE: Matching Molecular Analogues Promptly with Low Computational Resources by Multi-Metrics Evaluation (Student Abstract)

computational biomolecular

computer-aided drug design

rank aggregation

technical paper

We are pleased to announce the Thirty-Eighth AAAI Conference on Artificial Intelligence (AAAI-24), which will be held in Vancouver, British Columbia at the Vancouver Convention Centre – West Building from 20-27 February, 2024.

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-24 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and a range of other activities to be announced.

We expect for AAAI-24 to be an in-person conference – one author of all accepted papers will be expected to present work in person unless there are exceptional circumstances that prevent this.<br><br><br><br>

In order to access the AAAI-24 event page you need to register [here](https://aaai.org/aaai-conference/registration/)

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. 

The growing demand for precise sports analysis has been explored to improve athlete performance in various sports (e.g., basketball, soccer). However, existing methods for different sports face challenges in validating strategies in environments due to simple rule-based opponents leading to performance gaps when deployed in real-world matches. In this paper, we propose the CoachAI Badminton Environment, a novel reinforcement learning (RL) environment with realistic opponents for badminton, which serves as a compelling example of a turn-based game. It supports researchers in exploring various RL algorithms with the badminton context by integrating state-of-the-art tactical-forecasting models and real badminton game records. The Badminton Benchmarks are proposed with multiple widely adopted RL algorithms to benchmark the performance of simulating matches against real players. To advance novel algorithms and developments in badminton analytics, we make our environment open-source, enabling researchers to simulate more complex badminton sports scenarios based on this foundation. Our code is available at https://github.com/wywyWang/CoachAI-Projects/tree/main/CoachAI%20Badminton%20Environment.

The CoachAI Badminton Environment: A Novel Reinforcement Learning Environment with Realistic Opponents (Student Abstract)

The Diversified Top-k MaxSAT (DTKMS) problem is an extension of MaxSAT. The objective of DTKMS is to find k feasible assignments of a given formula, such that each assignment satisfies all hard clauses and the k assignments together satisfy the maximum number of soft clauses. This paper presents a local search algorithm, DTKMS-DIA, which incorporates a new approach to generating initial assignments. Experimental results indicate that DTKMS-DIA can achieve attractive performance on 826 instances compared with state-of-the-art solvers.

Enhance Diversified Top-k MaxSAT Solving by Incorporating New Strategy for Generating Diversified Initial Assignments (Student Abstract)

Image segmentation is foundational to computer vision applications, and the Segment Anything Model (SAM) has become a leading base model for these tasks. However, SAM falters in specialized downstream challenges, leading to various customized SAM models. We introduce BadSAM, a backdoor attack tailored for SAM, revealing that customized models can harbor malicious behaviors. Using the CAMO dataset, we confirm BadSAM's efficacy and identify SAM vulnerabilities. This study paves the way for the development of more secure and customizable vision foundation models.

BadSAM: Exploring Security Vulnerabilities of SAM via Backdoor Attacks (Student Abstract)

Gaze estimation is an important research area in computer vision and machine learning. Eye-tracking and gaze-based interactions have made assistive technology (AT) more accessible to people with physical limitations. However, a non-negligible proportion of existing AT users, including those having dyskinetic cerebral palsy (CP) or severe intellectual disabilities (ID), have difficulties in using eye trackers due to their involuntary body movements. In this paper, we propose an adaptation method pertaining to head movement prediction and fixation smoothing to stabilize our target users' gaze points on the screen and improve their user experience (UX) in gaze-based interaction. Our empirical experimentation shows that our method significantly shortens the users' selection time and increases their selection accuracy.

Gaze-Based Interaction Adaptation for People with Involuntary Head Movements (Student Abstract)

As Large Language Models (LLMs) become more prevalent in various fields, it is crucial to rigorously assess the quality of their explanations. Our research introduces a task-agnostic framework for evaluating free-text rationales, drawing on insights from both linguistics and machine learning. We evaluate two dimensions of explainability: fidelity and interpretability. For fidelity, we propose methods suitable for proprietary LLMs where direct introspection of internal features is unattainable. For interpretability, we use language models instead of human evaluators, addressing concerns about subjectivity and scalability in evaluations. We apply our framework to evaluate GPT-3.5 and the impact of prompts on the quality of its explanations. In conclusion, our framework streamlines the evaluation of explanations from LLMs, promoting the development of safer models.

Automated Assessment of Fidelity and Interpretability: An Evaluation Framework for Large Language Models’ Explanations (Student Abstract)

The performance of artificial neural networks (ANNs) degrades when training data are limited or imbalanced. In contrast, the human brain can learn quickly from just a few examples. Here, we investigated the role of sleep in improving the performance of ANNs trained with limited data on the MNIST and Fashion MNIST datasets. Sleep was implemented as an unsupervised phase with local Hebbian type learning rules. We found a significant boost in accuracy after the sleep phase for models trained with limited data in the range of 0.5-10% of total MNIST or Fashion MNIST datasets. When more than 10% of the total data was used, sleep alone had a slight negative impact on performance, but this was remedied by fine-tuning on the original data. This study sheds light on a potential synaptic weight dynamics strategy employed by the brain during sleep to enhance memory performance when training data are limited or imbalanced.

Sleep-Like Unsupervised Replay Improves Performance When Data Are Limited or Unbalanced (Student Abstract) | VIDEO

As data privacy issues grow, finding the best privacy preservation algorithm for each situation is increasingly essential. This research has focused on understanding the frequency oracles (FO) privacy preservation algorithms. FO conduct the frequency estimation of any value in the domain. The aim is to explore how each can be best used and recommend which one to use with which data type. We experimented with different data scenarios and federated learning settings. Results showed clear guidance on when to use a specific algorithm.

Frequency Oracle for Sensitive Data Monitoring (Student Abstract)

Face video stylization aims to convert real face videos into specified reference styles. While one-shot methods perform well in single-image stylization, ensuring continuity between frames and retaining the original facial expressions present challenges in video stylization. To address these issues, our approach employs a personalized diffusion model with pixel-level control. We propose Local Consistency Guidance(LCG) strategy, composed of local-cross attention and local style transfer, to ensure temporal consistency. This framework enables the synthesis of high-quality stylized face videos with excellent temporal continuity.

Local Consistency Guidance: Personalized Stylization Method of Face Video (Student Abstract)

Cross-domain Graph Meta-learning (CGML) has shown its promise, where meta-knowledge is extracted from few-shot graph data in multiple relevant but distinct domains. However, several recent efforts assume target data available, which commonly does not established in practice. In this paper, we devise a novel Cross-domain Data Augmentation for Graph Meta-Learning (CDA-GML), which incorporates the superiorities of CGML and Data Augmentation， has addressed intractable shortcomings of label sparsity, domain shift, and the absence of target data simultaneously. Specifically, our method simulates instance-level and task-level domain shift to alleviate the cross-domain generalization issue in conventional graph meta-learning. Experiments show that our method outperforms the existing state-of-the-art methods.

When Sparse Graph Representation Learning Falls into Domain Shift: Data Augmentation for Cross-Domain Graph Meta-Learning (Student Abstract)

In the last years, several variants of transformers have emerged. In this paper, we compare different transformer-based models for solving the reverse dictionary task and explore their use in the context of a serious game called The Dictionary Game.

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MapLE: Matching Molecular Analogues Promptly with Low Computational Resources by Multi-Metrics Evaluation (Student Abstract)

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The CoachAI Badminton Environment: A Novel Reinforcement Learning Environment with Realistic Opponents (Student Abstract)

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MapLE: Matching Molecular Analogues Promptly with Low Computational Resources by Multi-Metrics Evaluation (Student Abstract)

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The CoachAI Badminton Environment: A Novel Reinforcement Learning Environment with Realistic Opponents (Student Abstract)

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COMPANY

RESOURCES

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