This post contains a list of the AI-related seminars that are scheduled to take place between now and the end of January 2021. We've also listed recent past seminars that are available for you to watch. All events detailed here are free and open for anyone to attend virtually. This list includes forthcoming seminars scheduled to take place between 17 December and 31 January. AI and individual rights Speakers: To be confirmed Organised by: Information Commissioner's Office (ICO) Register here.

Bayesian optimisation presents a sample-efficient methodology for global optimisation. Within this framework, a crucial performance-determining subroutine is the maximisation of the acquisition function, a task complicated by the fact that acquisition functions tend to be non-convex and thus nontrivial to optimise. In this paper, we undertake a comprehensive empirical study of approaches to maximise the acquisition function. Additionally, by deriving novel, yet mathematically equivalent, compositional forms for popular acquisition functions, we recast the maximisation task as a compositional optimisation problem, allowing us to benefit from the extensive literature in this field. We highlight the empirical advantages of the compositional approach to acquisition function maximisation across 3958 individual experiments comprising synthetic optimisation tasks as well as tasks from Bayesmark. Given the generality of the acquisition function maximisation subroutine, we posit that the adoption of compositional optimisers has the potential to yield performance improvements across all domains in which Bayesian optimisation is currently being applied.

We formally study how Ensemble of deep learning models can improve test accuracy, and how the superior performance of ensemble can be distilled into a single model using Knowledge Distillation. We consider the challenging case where the ensemble is simply an average of the outputs of a few independently trained neural networks with the SAME architecture, trained using the SAME algorithm on the SAME data set, and they only differ by the random seeds used in the initialization. We empirically show that ensemble/knowledge distillation in deep learning works very differently from traditional learning theory, especially differently from ensemble of random feature mappings or the neural-tangent-kernel feature mappings, and is potentially out of the scope of existing theorems. Thus, to properly understand ensemble and knowledge distillation in deep learning, we develop a theory showing that when data has a structure we refer to as "multi-view", then ensemble of independently trained neural networks can provably improve test accuracy, and such superior test accuracy can also be provably distilled into a single model by training a single model to match the output of the ensemble instead of the true label. Our result sheds light on how ensemble works in deep learning in a way that is completely different from traditional theorems, and how the "dark knowledge" is hidden in the outputs of the ensemble -- that can be used in knowledge distillation -- comparing to the true data labels. In the end, we prove that self-distillation can also be viewed as implicitly combining ensemble and knowledge distillation to improve test accuracy.

Physics-informed neural networks (PINNs) are demonstrating remarkable promise in integrating physical models with gappy and noisy observational data, but they still struggle in cases where the target functions to be approximated exhibit high-frequency or multi-scale features. In this work we investigate this limitation through the lens of Neural Tangent Kernel (NTK) theory and elucidate how PINNs are biased towards learning functions along the dominant eigen-directions of their limiting NTK. Using this observation, we construct novel architectures that employ spatio-temporal and multi-scale random Fourier features, and justify how such coordinate embedding layers can lead to robust and accurate PINN models. Numerical examples are presented for several challenging cases where conventional PINN models fail, including wave propagation and reaction-diffusion dynamics, illustrating how the proposed methods can be used to effectively tackle both forward and inverse problems involving partial differential equations with multi-scale behavior. All code an data accompanying this manuscript will be made publicly available at \url{https://github.com/PredictiveIntelligenceLab/MultiscalePINNs}.

Researchers require timely access to real-world longitudinal electronic health records (EHR) to develop, test, validate, and implement machine learning solutions that improve the quality and efficiency of healthcare. In contrast, health systems value deeply patient privacy and data security. De-identified EHRs do not adequately address the needs of health systems, as de-identified data are susceptible to re-identification and its volume is also limited. Synthetic EHRs offer a potential solution. In this paper, we propose EHR Variational Autoencoder (EVA) for synthesizing sequences of discrete EHR encounters (e.g., clinical visits) and encounter features (e.g., diagnoses, medications, procedures). We illustrate that EVA can produce realistic EHR sequences, account for individual differences among patients, and can be conditioned on specific disease conditions, thus enabling disease-specific studies. We design efficient, accurate inference algorithms by combining stochastic gradient Markov Chain Monte Carlo with amortized variational inference. We assess the utility of the methods on large real-world EHR repositories containing over 250, 000 patients. Our experiments, which include user studies with knowledgeable clinicians, indicate the generated EHR sequences are realistic. We confirmed the performance of predictive models trained on the synthetic data are similar with those trained on real EHRs. Additionally, our findings indicate that augmenting real data with synthetic EHRs results in the best predictive performance - improving the best baseline by as much as 8% in top-20 recall.

The attention mechanism is becoming increasingly popular in Natural Language Processing (NLP) applications, showing superior performance than convolutional and recurrent architectures. However, general-purpose platforms such as CPUs and GPUs are inefficient when performing attention inference due to complicated data movement and low arithmetic intensity. Moreover, existing NN accelerators mainly focus on optimizing convolutional or recurrent models, and cannot efficiently support attention. In this paper, we present SpAtten, an efficient algorithm-architecture co-design that leverages token sparsity, head sparsity, and quantization opportunities to reduce the attention computation and memory access. Inspired by the high redundancy of human languages, we propose the novel cascade token pruning to prune away unimportant tokens in the sentence. We also propose cascade head pruning to remove unessential heads. Cascade pruning is fundamentally different from weight pruning since there is no trainable weight in the attention mechanism, and the pruned tokens and heads are selected on the fly. To efficiently support them on hardware, we design a novel top-k engine to rank token and head importance scores with high throughput. Furthermore, we propose progressive quantization that first fetches MSBs only and performs the computation; if the confidence is low, it fetches LSBs and recomputes the attention outputs, trading computation for memory reduction. Extensive experiments on 30 benchmarks show that, on average, SpAtten reduces DRAM access by 10.0x with no accuracy loss, and achieves 1.6x, 3.0x, 162x, 347x speedup, and 1,4x, 3.2x, 1193x, 4059x energy savings over A3 accelerator, MNNFast accelerator, TITAN Xp GPU, Xeon CPU, respectively.

Computer-aided design of molecules has the potential to disrupt the field of drug and material discovery. Machine learning, and deep learning, in particular, have been topics where the field has been developing at a rapid pace. Reinforcement learning is a particularly promising approach since it allows for molecular design without prior knowledge. However, the search space is vast and efficient exploration is desirable when using reinforcement learning agents. In this study, we propose an algorithm to aid efficient exploration. The algorithm is inspired by a concept known in the literature as curiosity. We show on three benchmarks that a curious agent finds better performing molecules. This indicates an exciting new research direction for reinforcement learning agents that can explore the chemical space out of their own motivation. This has the potential to eventually lead to unexpected new molecules that no human has thought about so far.

Electroencephalography is frequently used for diagnostic evaluation of various brain-related disorders due to its excellent resolution, non-invasive nature and low cost. However, manual analysis of EEG signals could be strenuous and a time-consuming process for experts. It requires long training time for physicians to develop expertise in it and additionally experts have low inter-rater agreement (IRA) among themselves. Therefore, many Computer Aided Diagnostic (CAD) based studies have considered the automation of interpreting EEG signals to alleviate the workload and support the final diagnosis. In this paper, we present an automatic binary classification framework for brain signals in multichannel EEG recordings. We propose to use Wavelet Packet Decomposition (WPD) techniques to decompose the EEG signals into frequency sub-bands and extract a set of statistical features from each of the selected coefficients. Moreover, we propose a novel method to reduce the dimension of the feature space without compromising the quality of the extracted features. The extracted features are classified using different Gradient Boosting Decision Tree (GBDT) based classification frameworks, which are CatBoost, XGBoost and LightGBM. We used Temple University Hospital EEG Abnormal Corpus V2.0.0 to test our proposed technique. We found that CatBoost classifier achieves the binary classification accuracy of 87.68%, and outperforms state-of-the-art techniques on the same dataset by more than 1% in accuracy and more than 3% in sensitivity. The obtained results in this research provide important insights into the usefulness of WPD feature extraction and GBDT classifiers for EEG classification.

Query reformulation aims to alter potentially noisy or ambiguous text sequences into coherent ones closer to natural language questions. In this process, it is also crucial to maintain and even enhance performance in a downstream environments like question answering when rephrased queries are given as input. We explore methods to generate these query reformulations by training reformulators using text-to-text transformers and apply policy-based reinforcement learning algorithms to further encourage reward learning. Query fluency is numerically evaluated by the same class of model fine-tuned on a human-evaluated well-formedness dataset. The reformulator leverages linguistic knowledge obtained from transfer learning and generates more well-formed reformulations than a translation-based model in qualitative and quantitative analysis. During reinforcement learning, it better retains fluency while optimizing the RL objective to acquire question answering rewards and can generalize to out-of-sample textual data in qualitative evaluations. Our RL framework is demonstrated to be flexible, allowing reward signals to be sourced from different downstream environments such as intent classification.

Transformers have become the dominant model in natural language processing, owing to their ability to pretrain on massive amounts of data, then transfer to smaller, more specific tasks via fine-tuning. The Vision Transformer was the first major attempt to apply a pure transformer model directly to images as input, demonstrating that as compared to convolutional networks, transformer-based architectures can achieve competitive results on benchmark classification tasks. However, the computational complexity of the attention operator means that we are limited to low-resolution inputs. For more complex tasks such as detection or segmentation, maintaining a high input resolution is crucial to ensure that models can properly identify and reflect fine details in their output. This naturally raises the question of whether or not transformer-based architectures such as the Vision Transformer are capable of performing tasks other than classification. In this paper, we determine that Vision Transformers can be used as a backbone by a common detection task head to produce competitive COCO results. The model that we propose, ViT-FRCNN, demonstrates several known properties associated with transformers, including large pretraining capacity and fast fine-tuning performance. We also investigate improvements over a standard detection backbone, including superior performance on out-of-domain images, better performance on large objects, and a lessened reliance on non-maximum suppression. We view ViT-FRCNN as an important stepping stone toward a pure-transformer solution of complex vision tasks such as object detection.