We have developed several autotuning benchmarks in CUDA that take into account performance-relevant source-code parameters and reach near peak-performance on various GPU architectures. We have used them during the development and evaluation of a novel search method for tuning space proposed in [1]. With our framework Kernel Tuning Toolkit, freely available at Github, we measured computation times and hardware performance counters on several GPUs for the complete tuning spaces of five benchmarks. These data, which we provide here, might benefit research of search algorithms for the tuning spaces of GPU codes or research of relation between applied code optimization, hardware performance counters, and GPU kernels' performance. Moreover, we describe the scripts we used for robust evaluation of our searcher and comparison to others in detail. In particular, the script that simulates the tuning, i.e., replaces time-demanding compiling and executing the tuned kernels with a quick reading of the computation time from our measured data, makes it possible to inspect the convergence of tuning search over a large number of experiments. These scripts, freely available with our other codes, make it easier to experiment with search algorithms and compare them in a robust way. During our research, we generated models for predicting values of performance counters from values of tuning parameters of our benchmarks. Here, we provide the models themselves and describe the scripts we implemented for their training. These data might benefit researchers who want to reproduce or build on our research.

As a popular Q&A site for programming, Stack Overflow is a treasure for developers. However, the amount of questions and answers on Stack Overflow make it difficult for developers to efficiently locate the information they are looking for. There are two gaps leading to poor search results: the gap between the user's intention and the textual query, and the semantic gap between the query and the post content. Therefore, developers have to constantly reformulate their queries by correcting misspelled words, adding limitations to certain programming languages or platforms, etc. As query reformulation is tedious for developers, especially for novices, we propose an automated software-specific query reformulation approach based on deep learning. With query logs provided by Stack Overflow, we construct a large-scale query reformulation corpus, including the original queries and corresponding reformulated ones. Our approach trains a Transformer model that can automatically generate candidate reformulated queries when given the user's original query. The evaluation results show that our approach outperforms five state-of-the-art baselines, and achieves a 5.6% to 33.5% boost in terms of $\mathit{ExactMatch}$ and a 4.8% to 14.4% boost in terms of $\mathit{GLEU}$.

This graduate textbook on machine learning tells a story of how patterns in data support predictions and consequential actions. Starting with the foundations of decision making, we cover representation, optimization, and generalization as the constituents of supervised learning. A chapter on datasets as benchmarks examines their histories and scientific bases. Self-contained introductions to causality, the practice of causal inference, sequential decision making, and reinforcement learning equip the reader with concepts and tools to reason about actions and their consequences. Throughout, the text discusses historical context and societal impact. We invite readers from all backgrounds; some experience with probability, calculus, and linear algebra suffices.

Block modeling has been used extensively in many domains including social science, spatial temporal data analysis and even medical imaging. Original formulations of the problem modeled it as a mixed integer programming problem, but were not scalable. Subsequent work relaxed the discrete optimization requirement, and showed that adding constraints is not straightforward in existing approaches. In this work, we present a new approach based on constraint programming, allowing discrete optimization of block modeling in a manner that is not only scalable, but also allows the easy incorporation of constraints. We introduce a new constraint filtering algorithm that outperforms earlier approaches, in both constrained and unconstrained settings, for an exhaustive search and for a type of local search called Large Neighborhood Search. We show its use in the analysis of real datasets. Finally, we show an application of the CP framework for model selection using the Minimum Description Length principle.

We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.

Code obfuscation aims at protecting Intellectual Property and other secrets embedded into software from being retrieved. Recent works leverage advances in artificial intelligence with the hope of getting blackbox deobfuscators completely immune to standard (whitebox) protection mechanisms. While promising, this new field of AI-based blackbox deobfuscation is still in its infancy. In this article we deepen the state of AI-based blackbox deobfuscation in three key directions: understand the current state-of-the-art, improve over it and design dedicated protection mechanisms. In particular, we define a novel generic framework for AI-based blackbox deobfuscation encompassing prior work and highlighting key components; we are the first to point out that the search space underlying code deobfuscation is too unstable for simulation-based methods (e.g., Monte Carlo Tres Search used in prior work) and advocate the use of robust methods such as S-metaheuritics; we propose the new optimized AI-based blackbox deobfuscator Xyntia which significantly outperforms prior work in terms of success rate (especially with small time budget) while being completely immune to the most recent anti-analysis code obfuscation methods; and finally we propose two novel protections against AI-based blackbox deobfuscation, allowing to counter Xyntia's powerful attacks.

Designing proper loss functions for vision tasks has been a long-standing research direction to advance the capability of existing models. For object detection, the well-established classification and regression loss functions have been carefully designed by considering diverse learning challenges. Inspired by the recent progress in network architecture search, it is interesting to explore the possibility of discovering new loss function formulations via directly searching the primitive operation combinations. So that the learned losses not only fit for diverse object detection challenges to alleviate huge human efforts, but also have better alignment with evaluation metric and good mathematical convergence property. Beyond the previous auto-loss works on face recognition and image classification, our work makes the first attempt to discover new loss functions for the challenging object detection from primitive operation levels. We propose an effective convergence-simulation driven evolutionary search algorithm, called CSE-Autoloss, for speeding up the search progress by regularizing the mathematical rationality of loss candidates via convergence property verification and model optimization simulation. CSE-Autoloss involves the search space that cover a wide range of the possible variants of existing losses and discovers best-searched loss function combination within a short time (around 1.5 wall-clock days). We conduct extensive evaluations of loss function search on popular detectors and validate the good generalization capability of searched losses across diverse architectures and datasets. Our experiments show that the best-discovered loss function combinations outperform default combinations by 1.1% and 0.8% in terms of mAP for two-stage and one-stage detectors on COCO respectively. Our searched losses are available at https://github.com/PerdonLiu/CSE-Autoloss.

We point out that the computation of true \emph{proof} and \emph{disproof} numbers for proof number search in arbitrary directed acyclic graphs is NP-hard, an important theoretical result for proof number search. The proof requires a reduction from SAT, which demonstrates that finding true proof/disproof number for arbitrary DAG is at least as hard as deciding if arbitrary SAT instance is satisfiable, thus NP-hard.

The performance of algorithms for neural architecture search strongly depends on the parametrization of the search space. We use contrastive learning to identify networks across different initializations based on their data Jacobians, and automatically produce the first architecture embeddings independent from the parametrization of the search space. Using our contrastive embeddings, we show that traditional black-box optimization algorithms, without modification, can reach state-of-the-art performance in Neural Architecture Search. As our method provides a unified embedding space, we perform for the first time transfer learning between search spaces. Finally, we show the evolution of embeddings during training, motivating future studies into using embeddings at different training stages to gain a deeper understanding of the networks in a search space. Traditionally, the design of state-of-the-art neural network architectures is informed by domain knowledge and requires a large amount of manual work to find the best hyperparameters. However, automated architecture search methods have recently achieved state-of-the-art results on tasks such as image classification, object detection, semantic segmentation and speech recognition, or even data augmentation and platform-aware optimization (Ren et al., 2020).

A* search is an informed search algorithm that uses a heuristic function to guide the order in which nodes are expanded. Since the computation required to expand a node and compute the heuristic values for all of its generated children grows linearly with the size of the action space, A* search can become impractical for problems with large action spaces. This computational burden becomes even more apparent when heuristic functions are learned by general, but computationally expensive, deep neural networks. To address this problem, we introduce DeepCubeAQ, a deep reinforcement learning and search algorithm that builds on the DeepCubeA algorithm and deep Q-networks. DeepCubeAQ learns a heuristic function that, with a single forward pass through a deep neural network, computes the sum of the transition cost and the heuristic value of all of the children of a node without explicitly generating any of the children, eliminating the need for node expansions. DeepCubeAQ then uses a novel variant of A* search, called AQ* search, that uses the deep Q-network to guide search. We use DeepCubeAQ to solve the Rubik's cube when formulated with a large action space that includes 1872 meta-actions and show that this 157-fold increase in the size of the action space incurs less than a 4-fold increase in computation time when performing AQ* search and that AQ* search is orders of magnitude faster than A* search.