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We present a new, simple and effective loss function for calibrating graph neural networks (GNNs). Miscalibration is the problem whereby a model&#39;s probabilities does not reflect it&#39;s correctness, making it difficult and possibly dangerous for real-world deployment. We compare our method against other baselines on a novel ID and OOD graph form of the Celeb-A faces dataset. Our findings show that our method improves calibration for GNNs, which are not immune to miscalibration in-distribution (ID) and out-of-distribution (OOD). Our code is available for review at https://github.com/dexterdley/CS6208/tree/main/Project.

AAAI 2024

MaxEnt Loss: Calibrating Graph Neural Networks under Out-of-Distribution Shift (Student Abstract) | VIDEO

neural network calibration

out-of-distribution

graph neural networks

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. 

We present a new, simple and effective loss function for calibrating graph neural networks (GNNs). Miscalibration is the problem whereby a model's probabilities does not reflect it's correctness, making it difficult and possibly dangerous for real-world deployment. We compare our method against other baselines on a novel ID and OOD graph form of the Celeb-A faces dataset. Our findings show that our method improves calibration for GNNs, which are not immune to miscalibration in-distribution (ID) and out-of-distribution (OOD). Our code is available for review at https://github.com/dexterdley/CS6208/tree/main/Project.

technical paper

Graph neural networks (GNNs) have attracted significant interest recently since they can effectively process and analyze graph-structured data commonly found in real-world applications. However, the predicament that GNNs are difficult to train becomes worse as the layers increase. The essence of this problem is that stacking layers will reduce the stability of forward propagation and gradient back-propagation. And as the increasing scale of models (measured by the number of parameters), how to efficiently and effectively adapt it to particular downstream tasks becomes an intriguing research issue. In this work, motivated by the effect of orthogonality constraints, we propose a simple orthogonal training framework to impose the orthogonality constraints on GNNs, which can help models find a solution vector in a specific low dimensional subspace and stabilize the signaling processes at both the forward and backward directions. Specifically, we propose a novel polar decomposition-based orthogonal initialization (PDOI-R) algorithm, which can identify the low intrinsic dimension within the Stiefel Manifold and stabilize the training process. Extensive experiments demonstrate the effectiveness of the proposed method in multiple downstream tasks, showcasing its generality. The simple method can help existing state-of-the-art models achieve better performance.

Simple Orthogonal Graph Representation Learning (Student Abstract)

Image/video denoising in low-light scenes is an extremely challenging problem due to limited photon count and high noise. In this paper, we propose a novel approach with contrastive learning to address this issue. Inspired by the success of contrastive learning used in some high-level computer vision tasks, we bring in this idea to the low-level denoising task. In order to achieve this goal, we introduce a new denoising contrastive regularization (DCR) to exploit the information of noisy images and clean images. In the feature space, DCR makes the denoised image closer to the clean image and far away from the noisy image. In addition,  we build a new feature embedding network called Wnet, which is more effective to extract high-frequency information. We conduct the experiments on a real low-light dataset that captures still images taken on a moonless clear night in 0.6 millilux and videos under starlight (no moon present, $<$0.001 lux). The results show that our method can achieve a higher PSNR and better visual quality compared with existing methods.

Contrastive Learning for Low-Light Raw Denoising (Student Abstract)

Researchers have applied knowledge graph embedding (KGE) techniques with advanced neural network techniques, such as capsule networks, for predicting drug-drug interactions (DDIs) and achieved remarkable results. However, most ignore molecular structure and position features between drug pairs. They cannot model the biomedical field's significant relational mapping properties (RMPs,1-N, N-1, N-N) relation. To solve these problems,  we innovatively propose CDHse that consists of two crucial modules: 1) Entity embedding module, we obtain position feature obtained by PubMedBERT and Convolutional Neural Network (CNN),  obtain molecular structure feature with Graphic Nuaral Network (GNN), obtain entity embedding feature of drug pairs, and then incorporate these features into one synthetic feature. 2) Knowledge graph embedding module, the synthetic feature is Householder projections and then embedded in the complex vector space for training. In this paper, we have selected several advanced models for the DDIs task and performed experiments on three standard BioKG to validate the effectiveness of CDHse.

Biomedical Knowledge Graph Embedding with Householder Projection (Student Abstract)

Seq-to-seq generative models recently gained attention for solving the relation extraction task. By approaching this problem as an end-to-end task, they surpassed encoder-based-only models. Little research investigated the effects of the output syntaxes on the training process of these models. Moreover, a limited number of approaches were proposed for extracting ready-to-load knowledge graphs following the RDF standard. In this paper, we consider that a set of triples can be linearized in many different ways, and we evaluate the combined effect of the size of the language models and different RDF syntaxes on the task of relation extraction from Wikipedia abstracts.

Well-Written Knowledge Graphs: Most Effective RDF Syntaxes for Triple Linearization in End-to-End Extraction of Relations from Texts (Student Abstract)

Deep learning (DL), despite its success in various fields, remains expensive and inaccessible to many due to its need for powerful supercomputing and high-end GPUs. This study explores alternative computing infrastructure and methods for distributed DL on low-energy, low-cost devices. We experiment on Raspberry Pi 4 devices with ARM Cortex-A72 processors and train a ResNet-18 model on the CIFAR-10 dataset. Our findings reveal limitations and opportunities for future optimizations, paving the way for a DL toolset for low-energy edge devices.

An Empirical Study of Distributed Deep Learning Training on Edge (Student Abstract)

We study the computational problems associated with maximizing various welfare objectives—namely utilitarian welfare, egalitarian welfare, and Nash welfare—in perpetual voting, a sequential collective decision-making framework. Prior work look into notions of fairness over time and study extensions of single-round voting rules to the multi-round setting.
We show that while a utilitarian-welfare maximizing outcome can be computed efficiently, an outcome that maximizes egalitarian or Nash welfare is computationally intractable, even in the case of two candidates. We complement this by showing that maximizing egalitarian welfare is fixed-parameter tractable in the number of agents, and maximizing egalitarian or Nash welfare is W[2]-hard and slicewise polynomial in the number of timesteps. We also provide an approximation algorithm for maximizing egalitarian welfare and study strategyproofness with respect to these welfare objectives. Finally, we show that a simple greedy algorithm can achieve approximate proportionality in this setting.

Welfare Maximization in Perpetual Voting (Student Abstract)

Abstractive text summarization uses the summarizer’s own words to capture the main information of a source document in a summary. While it is more challenging to automate than extractive text summarization, recent advancements in deep learning approaches and pre-trained language models have improved its performance. However, abstractive text summarization still has issues such as unfaithfulness. To address this problem, we propose a new approach that utilizes important Elementary Discourse Units (EDUs) to guide BART-based text summarization. Our approach showed the improvement in truthfulness and source document coverage in comparison to some previous studies.

Improving Faithfulness in Abstractive Text Summarization with EDUs Using BART (Student Abstract)

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.

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

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.

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Simple Orthogonal Graph Representation Learning (Student Abstract)

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