Publications

GitHub Copilot AI pair programmer: Asset or Liability?
Arghavan Moradi Dakhel
Vahid Majdinasab
Amin Nikanjam
Michel C. Desmarais
Z. Jiang
Automatic program synthesis is a long-lasting dream in software engineering. Recently, a promising Deep Learning (DL) based solution, called… (see more) Copilot, has been proposed by OpenAI and Microsoft as an industrial product. Although some studies evaluate the correctness of Copilot solutions and report its issues, more empirical evaluations are necessary to understand how developers can benefit from it effectively. In this paper, we study the capabilities of Copilot in two different programming tasks: (i) generating (and reproducing) correct and efficient solutions for fundamental algorithmic problems, and (ii) comparing Copilot's proposed solutions with those of human programmers on a set of programming tasks. For the former, we assess the performance and functionality of Copilot in solving selected fundamental problems in computer science, like sorting and implementing data structures. In the latter, a dataset of programming problems with human-provided solutions is used. The results show that Copilot is capable of providing solutions for almost all fundamental algorithmic problems, however, some solutions are buggy and non-reproducible. Moreover, Copilot has some difficulties in combining multiple methods to generate a solution. Comparing Copilot to humans, our results show that the correct ratio of humans' solutions is greater than Copilot's suggestions, while the buggy solutions generated by Copilot require less effort to be repaired.
GOKU-UI: Ubiquitous Inference through Attention and Multiple Shooting for Continuous-time Generative Models
Germán Abrevaya
Mahta Ramezanian-Panahi
Jean-Christophe Gagnon-Audet
Pablo Polosecki
Silvina Ponce Dawson
Guillermo Cecchi
Scientific Machine Learning (SciML) is a burgeoning field that synergistically combines domain-aware and interpretable models with agnosti… (see more)c machine learning techniques. In this work, we introduce GOKU-UI, an evolution of the SciML generative model GOKU-nets. The GOKU-UI broadens the original model’s spectrum to incorporate other classes of differential equations, such as Stochastic Differential Equations (SDEs), and integrates a distributed, i.e. ubiquitous, inference through attention mechanisms and a novel multiple shooting training strategy in the latent space. These enhancements have led to a significant increase in its performance in both reconstruction and forecast tasks, as demonstrated by our evaluation of simulated and empirical data. Specifically, GOKU-UI outperformed all baseline models on synthetic datasets even with a training set 32-fold smaller, underscoring its remarkable data efficiency. Furthermore, when applied to empirical human brain data, while incorporating stochastic Stuart-Landau
Grammar Generative Models for Music Notation
Deep generative models have been successfully applied in many learning experiments with digital data, such as images or audio. In the field … (see more)of music, they can also be used to generate symbolic representations, in the context of problems such as automatic music generation or transcription [1-3]. A significant challenge for generating structured symbolic data in general is obtaining well-formed results. This is especially true in the case of music. It is indeed widely accepted that musical notation represents, well beyond simple sequences of notes, a hierarchical organization of melodic and harmonic information, inducing non-local dependencies between musical objects [4]. A good representation of this information is essential for the interpretation and analysis of music pieces.
Graph Inductive Biases in Transformers without Message Passing
Liheng Ma
Chen Lin
Derek Lim
Puneet K. Dokania
Philip Torr
Ser-Nam Lim
Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial fo… (see more)r Graph Transformers, and previous works incorporate them using message-passing modules and/or positional encodings. However, Graph Transformers that use message-passing inherit known issues of message-passing, and differ significantly from Transformers used in other domains, thus making transfer of research advances more difficult. On the other hand, Graph Transformers without message-passing often perform poorly on smaller datasets, where inductive biases are more crucial. To bridge this gap, we propose the Graph Inductive bias Transformer (GRIT) — a new Graph Transformer that incorporates graph inductive biases without using message passing. GRIT is based on several architectural changes that are each theoretically and empirically justified, including: learned relative positional encodings initialized with random walk probabilities, a flexible attention mechanism that updates node and node-pair representations, and injection of degree information in each layer. We prove that GRIT is expressive — it can express shortest path distances and various graph propagation matrices. GRIT achieves state-of-the-art empirical performance across a variety of graph datasets, thus showing the power that Graph Transformers without message-passing can deliver.
Graph Inductive Biases in Transformers without Message Passing
Liheng Ma
Chen Lin
Derek Lim
Puneet K. Dokania
Philip Torr
Ser-Nam Lim
Transformers for graph data are increasingly widely studied and successful in numerous learning tasks. Graph inductive biases are crucial fo… (see more)r Graph Transformers, and previous works incorporate them using message-passing modules and/or positional encodings. However, Graph Transformers that use message-passing inherit known issues of message-passing, and differ significantly from Transformers used in other domains, thus making transfer of research advances more difficult. On the other hand, Graph Transformers without message-passing often perform poorly on smaller datasets, where inductive biases are more crucial. To bridge this gap, we propose the Graph Inductive bias Transformer (GRIT) -- a new Graph Transformer that incorporates graph inductive biases without using message passing. GRIT is based on several architectural changes that are each theoretically and empirically justified, including: learned relative positional encodings initialized with random walk probabilities, a flexible attention mechanism that updates node and node-pair representations, and injection of degree information in each layer. We prove that GRIT is expressive -- it can express shortest path distances and various graph propagation matrices. GRIT achieves state-of-the-art empirical performance across a variety of graph datasets, thus showing the power that Graph Transformers without message-passing can deliver.
Graphically Structured Diffusion Models
Christian Dietrich Weilbach
William Harvey
We introduce a framework for automatically defining and learning deep generative models with problem-specific structure. We tackle problem d… (see more)omains that are more traditionally solved by algorithms such as sorting, constraint satisfaction for Sudoku, and matrix factorization. Concretely, we train diffusion models with an architecture tailored to the problem specification. This problem specification should contain a graphical model describing relationships between variables, and often benefits from explicit representation of subcomputations. Permutation invariances can also be exploited. Across a diverse set of experiments we improve the scaling relationship between problem dimension and our model's performance, in terms of both training time and final accuracy.
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
Shengchao Liu
weitao Du
Zhi-Ming Ma
Hongyu Guo
Molecule pretraining has quickly become the go-to schema to boost the performance of AI-based drug discovery. Naturally, molecules can be re… (see more)presented as 2D topological graphs or 3D geometric point clouds. Although most existing pertaining methods focus on merely the single modality, recent research has shown that maximizing the mutual information (MI) between such two modalities enhances the molecule representation ability. Meanwhile, existing molecule multi-modal pretraining approaches approximate MI based on the representation space encoded from the topology and geometry, thus resulting in the loss of critical structural information of molecules. To address this issue, we propose MoleculeSDE. MoleculeSDE leverages group symmetric (e.g., SE(3)-equivariant and reflection-antisymmetric) stochastic differential equation models to generate the 3D geometries from 2D topologies, and vice versa, directly in the input space. It not only obtains tighter MI bound but also enables prosperous downstream tasks than the previous work. By comparing with 17 pretraining baselines, we empirically verify that MoleculeSDE can learn an expressive representation with state-of-the-art performance on 26 out of 32 downstream tasks.
Guessing Random Additive Noise Decoding
Syed Mohsin Abbas
Marwan Jalaleddine
GUILGET: GUI Layout GEneration with Transformer
Andrey Sobolevsky
Guillaume-Alexandre Bilodeau
Jinghui Cheng
A Heat Diffusion Perspective on Geodesic Preserving Dimensionality Reduction
Guillaume Huguet
Alexander Tong
Edward De Brouwer
Yanlei Zhang
Ian Adelstein
Smita Krishnaswamy
Hierarchical Distributed Energy Management Framework for Multiple Greenhouses Considering Demand Response
Ehsan Rezaei
Kianoosh Ojand
Greenhouses are a key component of modernised agriculture, aiming for producing high-quality crops and plants. Furthermore, a network of gre… (see more)enhouses has enormous potential as part of demand response programs. Saving energy during off-peak time, reducing power consumption and delaying the start time of subsystems during on-peak time are some strategies that can be used to limit power exchanged with the main grid. In this work, a hierarchical distributed alternating direction method of multipliers-based model predictive control framework is proposed that has two main objectives: 1) providing appropriate conditions for greenhouses' crops and plants to grow, and 2) limiting the total power exchanged with the main grid. At each time step in the framework, an aggregator coordinates the greenhouses to reach a consensus and limit the total electric power exchanged while managing shared resources, e.g., reservoir water. The proposed framework's performance is investigated through a case study.
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