Publications

Survey on Explainable AI: Techniques, challenges and open issues
Adel Abusitta
Miles Q. Li
Benjamin C. M. Fung
2023-12-31
Expert Syst. Appl. (published)
doi.org
SynFlowNet: Design of Diverse and Novel Molecules with Synthesis Constraints
M. Cretu
Charles Harris
Julien Roy
Emmanuel Bengio
Pietro Lio’
Generative models see increasing use in computer-aided drug design. However, while performing well at capturing distributions of molecular m… (see more)otifs, they often produce synthetically inaccessible molecules. To address this, we introduce SynFlowNet, a GFlowNet model whose action space uses chemical reactions and buyable reactants to sequentially build new molecules. By incorporating forward synthesis as an explicit constraint of the generative mechanism, we aim at bridging the gap between in silico molecular generation and real world synthesis capabilities. We evaluate our approach using synthetic accessibility scores and an independent retrosynthesis tool to assess the synthesizability of our compounds, and motivate the choice of GFlowNets through considerable improvement in sample diversity compared to baselines. Additionally, we identify challenges with reaction encodings that can complicate traversal of the MDP in the backward direction. To address this, we introduce various strategies for learning the GFlowNet backward policy and thus demonstrate how additional constraints can be integrated into the GFlowNet MDP framework. This approach enables our model to successfully identify synthesis pathways for previously unseen molecules.
2023-12-31
arXiv.org (preprint)
doi.org
arxiv.org
TARIC-SLU: A Tunisian Benchmark Dataset for Spoken Language Understanding
Salima Mdhaffar
Fethi Bougares
Renato De Mori
Salah Zaiem
Mirco Ravanaelli
Yannick Estève
In recent years, there has been a significant increase in interest in developing Spoken Language Understanding (SLU) systems. SLU involves e… (see more)xtracting a list of semantic information from the speech signal. A major issue for SLU systems is the lack of sufficient amount of bi-modal (audio and textual semantic annotation) training data. Existing SLU resources are mainly available in high-resource languages such as English, Mandarin and French. However, one of the current challenges concerning low-resourced languages is data collection and annotation. In this work, we present a new freely available corpus, named TARIC-SLU, composed of railway transport conversations in Tunisian dialect that is continuously annotated in dialogue acts and slots. We describe the semantic model of the dataset, the data and experiments conducted to build ASR-based and SLU-based baseline models. To facilitate its use, a complete recipe, including data preparation, training and evaluation scripts, has been built and will be integrated to SpeechBrain, a popular open-source conversational AI toolkit based on PyTorch.
2023-12-31
International Conference on Language Resources and Evaluation (published)
dblp.uni-trier.de
Temporal Graph Analysis with TGX
Razieh Shirzadkhani
Shenyang Huang
Elahe Kooshafar
Reihaneh Rabbany
Farimah Poursafaei
Real-world networks, with their evolving relations, are best captured as temporal graphs. However, existing software libraries are largely d… (see more)esigned for static graphs where the dynamic nature of temporal graphs is ignored. Bridging this gap, we introduce TGX, a Python package specially designed for analysis of temporal networks that encompasses an automated pipeline for data loading, data processing, and analysis of evolving graphs. TGX provides access to eleven built-in datasets and eight external Temporal Graph Benchmark (TGB) datasets as well as any novel datasets in the .csv format. Beyond data loading, TGX facilitates data processing functionalities such as discretization of temporal graphs and node subsampling to accelerate working with larger datasets. For comprehensive investigation, TGX offers network analysis by providing a diverse set of measures, including average node degree and the evolving number of nodes and edges per timestamp. Additionally, the package consolidates meaningful visualization plots indicating the evolution of temporal patterns, such as Temporal Edge Appearance (TEA) and Temporal Edge Trafficc (TET) plots. The TGX package is a robust tool for examining the features of temporal graphs and can be used in various areas like studying social networks, citation networks, and tracking user interactions. We plan to continuously support and update TGX based on community feedback. TGX is publicly available on: https://github.com/ComplexData-MILA/TGX.
2023-12-31
WSDM (published)
doi.org
arxiv.org
On the consistency of hyper-parameter selection in value-based deep reinforcement learning
Johan Samir Obando Ceron
João Guilherme Madeira Araújo
Aaron Courville
Pablo Samuel Castro
Deep reinforcement learning (deep RL) has achieved tremendous success on various domains through a combination of algorithmic design and car… (see more)eful selection of hyper-parameters. Algorithmic improvements are often the result of iterative enhancements built upon prior approaches, while hyper-parameter choices are typically inherited from previous methods or fine-tuned specifically for the proposed technique. Despite their crucial impact on performance, hyper-parameter choices are frequently overshadowed by algorithmic advancements. This paper conducts an extensive empirical study focusing on the reliability of hyper-parameter selection for value-based deep reinforcement learning agents, including the introduction of a new score to quantify the consistency and reliability of various hyper-parameters. Our findings not only help establish which hyper-parameters are most critical to tune, but also help clarify which tunings remain consistent across different training regimes.
2023-12-31
RLJ (published)
doi.org
openreview.net
The Cost of Scaling Down Large Language Models: Reducing Model Size Affects Memory before In-context Learning.
Tian Jin
Nolan Clement
Xin Dong
Vaishnavh Nagarajan
Michael Carbin
Jonathan Ragan-kelley
Gintare Karolina Dziugaite
2023-12-31
International Conference on Learning Representations (published)
openreview.net
openreview.net
The Heterophilic Graph Learning Handbook: Benchmarks, Models, Theoretical Analysis, Applications and Challenges
Sitao Luan
Chenqing Hua
Qincheng Lu
Liheng Ma
Lirong Wu
Xinyu Wang
Minkai Xu
Xiao-Wen Chang
Doina Precup
Rex Ying
Stan Z. Li
Jian Tang
Guy Wolf
Stefanie Jegelka
Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to b… (see more)e the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural Networks (NNs) on graph-structured data, especially on node-level tasks. However, recent work has identified a non-trivial set of datasets where GNN's performance compared to the NN's is not satisfactory. Heterophily, i.e. low homophily, has been considered the main cause of this empirical observation. People have begun to revisit and re-evaluate most existing graph models, including graph transformer and its variants, in the heterophily scenario across various kinds of graphs, e.g. heterogeneous graphs, temporal graphs and hypergraphs. Moreover, numerous graph-related applications are found to be closely related to the heterophily problem. In the past few years, considerable effort has been devoted to studying and addressing the heterophily issue. In this survey, we provide a comprehensive review of the latest progress on heterophilic graph learning, including an extensive summary of benchmark datasets and evaluation of homophily metrics on synthetic graphs, meticulous classification of the most updated supervised and unsupervised learning methods, thorough digestion of the theoretical analysis on homophily/heterophily, and broad exploration of the heterophily-related applications. Notably, through detailed experiments, we are the first to categorize benchmark heterophilic datasets into three sub-categories: malignant, benign and ambiguous heterophily. Malignant and ambiguous datasets are identified as the real challenging datasets to test the effectiveness of new models on the heterophily challenge. Finally, we propose several challenges and future directions for heterophilic graph representation learning.
2023-12-31
arXiv (preprint)
doi.org
arxiv.org
Toward Debugging Deep Reinforcement Learning Programs with RLExplorer
Rached Bouchoucha
Ahmed Haj Yahmed
Darshan Patil
Janarthanan Rajendran
Amin Nikanjam
Sarath Chandar
Foutse Khomh
Deep reinforcement learning (DRL) has shown success in diverse domains such as robotics, computer games, and recommendation systems. However… (see more), like any other software system, DRL-based software systems are susceptible to faults that pose unique challenges for debugging and diagnosing. These faults often result in unexpected behavior without explicit failures and error messages, making debugging difficult and time-consuming. Therefore, automating the monitoring and diagnosis of DRL systems is crucial to alleviate the burden on developers. In this paper, we propose RLExplorer, the first fault diagnosis approach for DRL-based software systems. RLExplorer automatically monitors training traces and runs diagnosis routines based on properties of the DRL learning dynamics to detect the occurrence of DRL-specific faults. It then logs the results of these diagnoses as warnings that cover theoretical concepts, recommended practices, and potential solutions to the identified faults. We conducted two sets of evaluations to assess RLExplorer. Our first evaluation of faulty DRL samples from Stack Overflow revealed that our approach can effectively diagnose real faults in 83% of the cases. Our second evaluation of RLExplorer with 15 DRL experts/developers showed that (1) RLExplorer could identify 3.6 times more defects than manual debugging and (2) RLExplorer is easily integrated into DRL applications.
2023-12-31
IEEE International Conference on Software Maintenance and Evolution (published)
doi.org
arxiv.org
Towards Modular LLMs by Building and Reusing a Library of LoRAs
Oleksiy Ostapenko
Zhan Su
Edoardo Maria Ponti
Laurent Charlin
Nicolas Le Roux
Matheus Pereira
Lucas Caccia
Alessandro Sordoni
The growing number of parameter-efficient adaptations of a base large language model (LLM) calls for studying whether we can reuse such trai… (see more)ned adapters to improve performance for new tasks. We study how to best build a library of adapters given multi-task data and devise techniques for both zero-shot and supervised task generalization through routing in such library. We benchmark existing approaches to build this library and introduce model-based clustering, MBC, a method that groups tasks based on the similarity of their adapter parameters, indirectly optimizing for transfer across the multi-task dataset. To re-use the library, we present a novel zero-shot routing mechanism, Arrow, which enables dynamic selection of the most relevant adapters for new inputs without the need for retraining. We experiment with several LLMs, such as Phi-2 and Mistral, on a wide array of held-out tasks, verifying that MBC-based adapters and Arrow routing lead to superior generalization to new tasks. We make steps towards creating modular, adaptable LLMs that can match or outperform traditional joint training.
2023-12-31
ICML (published)
doi.org
proceedings.mlr.press
Towards a unified XAI-based framework for digital forensic investigations
Zainab Khalid
Farkhund Iqbal
Benjamin C. M. Fung
2023-12-31
Digit. Investig. (published)
doi.org
Tree Broad Learning System for Small Data Modeling.
Heng Xia
Jian Tang
Wen Yu
JunFei Qiao
Broad learning system based on neural network (BLS-NN) has poor efficiency for small data modeling with various dimensions. Tree-based BLS (… (see more)TBLS) is designed for small data modeling by introducing nondifferentiable modules and an ensemble strategy to the traditional broad learning system (BLS). TBLS replaces the neurons of BLS with the tree modules to map the input data. Moreover, we present three new TBLS variant methods and their incremental learning implementations, which are motivated by deep, broad, and ensemble learning. Their major distinction is reflected in the incremental learning strategies based on: 1) mean square error (mse); 2) pseudo-inverse; and 3) pseudo-inverse theory and stack representation. Therefore, this study further explores the domain of BLS based on the nondifferentiable modules. The simulations are compared with some state-of-the-art (SOTA) BLS-NN and tree methods under high-, medium-, and low-dimensional benchmark datasets. Results show that the proposed method outperforms the BLS-NN, and the modeling accuracy is remarkably improved with the small training data of the proposed TBLS.
2023-12-31
IEEE Trans. Neural Networks Learn. Syst. (published)
doi.org
Triage Software Update Impact via Release Notes Classification
Solomon Berhe
Vanessa Kan
Omhier Khan
Nathan Pader
Ali Zain Farooqui
Marc Maynard
Foutse Khomh
2023-12-31
Procedia Computer Science (published)
doi.org