CAGRA: Highly Parallel Graph Construction and Approximate Nearest Neighbor Search for GPUs

Approximate Nearest Neighbor Search (ANNS) plays a critical role in various disciplines spanning data mining and artificial intelligence, from information retrieval and computer vision to natural language processing and recommender systems. Data volumes have soared in recent years and the computational cost of an exhaustive exact nearest neighbor search is often prohibitive, necessitating the adoption of approximate techniques. The balanced performance and recall of graph-based approaches have more recently garnered significant attention in ANNS algorithms, however, only a few studies have explored harnessing the power of GPUs and multi-core processors despite the widespread use of massively parallel and general-purpose computing. To bridge this gap, we introduce a novel parallel computing hardware-based proximity graph and search algorithm. By leveraging the high-performance capabilities of modern hardware, our approach achieves remarkable efficiency gains. In particular, our method surpasses existing CPU and GPU-based methods in constructing the proximity graph, demonstrating higher throughput in both large- and small-batch searches while maintaining compatible accuracy. In graph construction time, our method, CAGRA, is 2.2~27x faster than HNSW, which is one of the CPU SOTA implementations. In large-batch query throughput in the 90% to 95% recall range, our method is 33~77x faster than HNSW, and is 3.8~8.8x faster than the SOTA implementations for GPU. For a single query, our method is 3.4~53x faster than HNSW at 95% recall.

Exploring the Limits of Historical Information for Temporal Knowledge Graph Extrapolation

Temporal knowledge graphs, representing the dynamic relationships and interactions between entities over time, have been identified as a promising approach for event forecasting. However, a limitation of most temporal knowledge graph reasoning methods is their heavy reliance on the recurrence or periodicity of events, which brings challenges to inferring future events related to entities that lack historical interaction. In fact, the current state of affairs is often the result of a combination of historical information and underlying factors that are not directly observable. To this end, we investigate the limits of historical information for temporal knowledge graph extrapolation and propose a new event forecasting model called Contrastive Event Network (CENET) based on a novel training framework of historical contrastive learning. CENET learns both the historical and non-historical dependency to distinguish the most potential entities that best match the given query. Simultaneously, by launching contrastive learning, it trains representations of queries to probe whether the current moment is more dependent on historical or non-historical events. These representations further help train a binary classifier, whose output is a boolean mask, indicating the related entities in the search space. During the inference process, CENET employs a mask-based strategy to generate the final results. We evaluate our proposed model on five benchmark graphs. The results demonstrate that CENET significantly outperforms all existing methods in most metrics, achieving at least 8.3% relative improvement of Hits@1 over previous state-of-the-art baselines on event-based datasets.

Relational Concept Based Models

The design of interpretable deep learning models working in relational domains poses an open challenge: interpretable deep learning methods, such as Concept-Based Models (CBMs), are not designed to solve relational problems, while relational models are not as interpretable as CBMs. To address this problem, we propose Relational Concept-Based Models, a family of relational deep learning methods providing interpretable task predictions. Our experiments, ranging from image classification to link prediction in knowledge graphs, show that relational CBMs (i) match generalization performance of existing relational black-boxes (as opposed to non-relational CBMs), (ii) support the generation of quantified concept-based explanations, (iii) effectively respond to test-time interventions, and (iv) withstand demanding settings including out-of-distribution scenarios, limited training data regimes, and scarce concept supervisions.

SkinDistilViT: Lightweight Vision Transformer for Skin Lesion Classification

Skin cancer is a treatable disease if discovered early. We provide a production-specific solution to the skin cancer classification problem that matches human performance in melanoma identification by training a vision transformer on melanoma medical images annotated by experts. Since inference cost, both time and memory wise is important in practice, we employ knowledge distillation to obtain a model that retains 98.33% of the teacher's balanced multi-class accuracy, at a fraction of the cost. Memory-wise, our model is 49.60% smaller than the teacher. Time-wise, our solution is 69.25% faster on GPU and 97.96% faster on CPU. By adding classification heads at each level of the transformer and employing a cascading distillation process, we improve the balanced multi-class accuracy of the base model by 2.1%, while creating a range of models of various sizes but comparable performance. We provide the code at https://github.com/Longman-Stan/SkinDistilVit.

Test-Time Training on Nearest Neighbors for Large Language Models

Many recent efforts aim to augment language models with relevant information retrieved from a database at test time. We avoid the need for prompt engineering by directly fine-tuning the model on data retrieved at test time using its standard training setup. For this purpose, we build a large-scale distributed nearest neighbor index based on text embeddings of the Pile dataset. Given a query to a language model, our system retrieves the neighbors of the query and fine-tunes the model on the text data corresponding to those neighbors. Surprisingly, retrieving and training on as few as 20 neighbors, each for only one gradient iteration, drastically improves performance across more than twenty language modeling tasks in the Pile benchmark. For example, test-time training significantly narrows the performance gap between a small GPT2 model and a GPTNeo model, more than ten times larger, that was specifically trained to convergence on the Pile. Sufficient index quality and size, however, are important. Our work establishes a valuable first baseline for implementing test-time training in the context of large language models, opening the door to numerous promising research avenues.

Domain Adaptation via Minimax Entropy for Real/Bogus Classification of Astronomical Alerts

Time domain astronomy is advancing towards the analysis of multiple massive datasets in real time, prompting the development of multi-stream machine learning models. In this work, we study Domain Adaptation (DA) for real/bogus classification of astronomical alerts using four different datasets: HiTS, DES, ATLAS, and ZTF. We study the domain shift between these datasets, and improve a naive deep learning classification model by using a fine tuning approach and semi-supervised deep DA via Minimax Entropy (MME). We compare the balanced accuracy of these models for different source-target scenarios. We find that both the fine tuning and MME models improve significantly the base model with as few as one labeled item per class coming from the target dataset, but that the MME does not compromise its performance on the source dataset.

A Game of Bundle Adjustment -- Learning Efficient Convergence

Bundle adjustment is the common way to solve localization and mapping. It is an iterative process in which a system of non-linear equations is solved using two optimization methods, weighted by a damping factor. In the classic approach, the latter is chosen heuristically by the Levenberg-Marquardt algorithm on each iteration. This might take many iterations, making the process computationally expensive, which might be harmful to real-time applications. We propose to replace this heuristic by viewing the problem in a holistic manner, as a game, and formulating it as a reinforcement-learning task. We set an environment which solves the non-linear equations and train an agent to choose the damping factor in a learned manner. We demonstrate that our approach considerably reduces the number of iterations required to reach the bundle adjustment's convergence, on both synthetic and real-life scenarios. We show that this reduction benefits the classic approach and can be integrated with other bundle adjustment acceleration methods.

Stochastic Configuration Machines for Industrial Artificial Intelligence

Real-time predictive modelling with desired accuracy is highly expected in industrial artificial intelligence (IAI), where neural networks play a key role. Neural networks in IAI require powerful, high-performance computing devices to operate a large number of floating point data. Based on stochastic configuration networks (SCNs), this paper proposes a new randomized learner model, termed stochastic configuration machines (SCMs), to stress effective modelling and data size saving that are useful and valuable for industrial applications. Compared to SCNs and random vector functional-link (RVFL) nets with binarized implementation, the model storage of SCMs can be significantly compressed while retaining favourable prediction performance. Besides the architecture of the SCM learner model and its learning algorithm, as an important part of this contribution, we also provide a theoretical basis on the learning capacity of SCMs by analysing the model's complexity. Experimental studies are carried out over some benchmark datasets and three industrial applications. The results demonstrate that SCM has great potential for dealing with industrial data analytics.

SGMM: Stochastic Approximation to Generalized Method of Moments

We introduce a new class of algorithms, Stochastic Generalized Method of Moments (SGMM), for estimation and inference on (overidentified) moment restriction models. Our SGMM is a novel stochastic approximation alternative to the popular Hansen (1982) (offline) GMM, and offers fast and scalable implementation with the ability to handle streaming datasets in real time. We establish the almost sure convergence, and the (functional) central limit theorem for the inefficient online 2SLS and the efficient SGMM. Moreover, we propose online versions of the Durbin-Wu-Hausman and Sargan-Hansen tests that can be seamlessly integrated within the SGMM framework. Extensive Monte Carlo simulations show that as the sample size increases, the SGMM matches the standard (offline) GMM in terms of estimation accuracy and gains over computational efficiency, indicating its practical value for both large-scale and online datasets. We demonstrate the efficacy of our approach by a proof of concept using two well known empirical examples with large sample sizes.

Representing Timed Automata and Timing Anomalies of Cyber-Physical Production Systems in Knowledge Graphs

Model-Based Anomaly Detection has been a successful approach to identify deviations from the expected behavior of Cyber-Physical Production Systems. Since manual creation of these models is a time-consuming process, it is advantageous to learn them from data and represent them in a generic formalism like timed automata. However, these models - and by extension, the detected anomalies - can be challenging to interpret due to a lack of additional information about the system. This paper aims to improve model-based anomaly detection in CPPS by combining the learned timed automaton with a formal knowledge graph about the system. Both the model and the detected anomalies are described in the knowledge graph in order to allow operators an easier interpretation of the model and the detected anomalies. The authors additionally propose an ontology of the necessary concepts. The approach was validated on a five-tank mixing CPPS and was able to formally define both automata model as well as timing anomalies in automata execution.