We introduce a method called TracIn that computes the influence of a training example on a prediction made by the model. The idea is to trace how the loss on the test point changes during the training process whenever the training example of interest was utilized. We provide a scalable implementation of TracIn via: (a) a first-order gradient approximation to the exact computation, (b) saved checkpoints of standard training procedures, and (c) cherry-picking layers of a deep neural network. In contrast with previously proposed methods, TracIn is simple to implement; all it needs is the ability to work with gradients, checkpoints, and loss functions. It applies to any machine learning model trained using stochastic gradient descent or a variant of it, agnostic of architecture, domain and task.

Predicting molecular properties with data-driven methods has drawn much attention in recent years. Particularly, Graph Neural Networks (GNNs) have demonstrated remarkable success in various molecular generation and prediction tasks. In cases where labeled data is scarce, GNNs can be pre-trained on unlabeled molecular data to first learn the general semantic and structural information before being finetuned for specific tasks. However, most existing self-supervised pretraining frameworks for GNNs only focus on node-level or graph-level tasks. For example, functional groups (frequently-occurred subgraphs in molecular graphs) often carry indicative information about the molecular properties.

For the gradient computation across the time domain in Spiking Neural Networks (SNNs) training, two different approaches have been independently studied. The first is to compute the gradients with respect to the change in spike activation (activation-based methods), and the second is to compute the gradients with respect to the change in spike timing (timing-based methods). In this work, we present a comparative study of the two methods and propose a new supervised learning method that combines them. The proposed method utilizes each individual spike more effectively by shifting spike timings as in the timing-based methods as well as generating and removing spikes as in the activation-based methods. Experimental results showed that the proposed method achieves higher performance in terms of both accuracy and efficiency than the previous approaches.

Self-Supervised Learning (SSL) with large-scale unlabelled datasets enables learning useful representations for multiple downstream tasks. However, assessing the quality of such representations efficiently poses nontrivial challenges. Existing approaches train linear probes (with frozen features) to evaluate performance on a given task. This is expensive both computationally, since it requires retraining a new prediction head for each downstream task, and statistically, requires task-specific labels for multiple tasks. This poses a natural question, how do we efficiently determine the "goodness" of representations learned with SSL across a wide range of potential downstream tasks?

We approach self-supervised learning of image representations from a statistical dependence perspective, proposing Self-Supervised Learning with the Hilbert-Schmidt Independence Criterion (SSL-HSIC). This framework yields a new understanding of InfoNCE, a variational lower bound on the mutual information (MI) between different transformations. While the MI itself is known to have pathologies which can result in learning meaningless representations, its bound is much better behaved: we show that it implicitly approximates SSL-HSIC (with a slightly different regularizer).Our approach also gives us insight into BYOL, a negative-free SSL method, since SSL-HSIC similarly learns local neighborhoods of samples. SSL-HSIC allows us to directly optimize statistical dependence in time linear in the batch size, without restrictive data assumptions or indirect mutual information estimators. Trained with or without a target network, SSL-HSIC matches the current state-of-the-art for standard linear evaluation on ImageNet, semi-supervised learning and transfer to other classification and vision tasks such as semantic segmentation, depth estimation and object recognition.

To predict sensory inputs or control motor trajectories, the brain must constantly learn temporal dynamics based on error feedback. However, it remains unclear how such supervised learning is implemented in biological neural networks. Learning in recurrent spiking networks is notoriously difficult because local changes in connectivity may have an unpredictable effect on the global dynamics. The most commonly used learning rules, such as temporal back-propagation, are not local and thus not biologically plausible. Furthermore, reproducing the Poisson-like statistics of neural responses requires the use of networks with balanced excitation and inhibition.

We combine supervised learning with unsupervised learning in deep neural networks. The proposed model is trained to simultaneously minimize the sum of supervised and unsupervised cost functions by backpropagation, avoiding the need for layer-wise pre-training. Our work builds on top of the Ladder network proposed by Valpola (2015) which we extend by combining the model with supervision. We show that the resulting model reaches state-of-the-art performance in semi-supervised MNIST and CIFAR-10 classification in addition to permutation-invariant MNIST classification with all labels.

Self-supervised learning methods have witnessed a recent surge of interest after proving successful in multiple application fields. In this work, we leverage these techniques, and we propose 3D versions for five different self-supervised methods, in the form of proxy tasks. Our methods facilitate neural network feature learning from unlabeled 3D images, aiming to reduce the required cost for expert annotation. The developed algorithms are 3D Contrastive Predictive Coding, 3D Rotation prediction, 3D Jigsaw puzzles, Relative 3D patch location, and 3D Exemplar networks. Our experiments show that pretraining models with our 3D tasks yields more powerful semantic representations, and enables solving downstream tasks more accurately and efficiently, compared to training the models from scratch and to pretraining them on 2D slices.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that arediscrete tokens corresponding to positions in an input sequence.Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines,because the number of target classes in eachstep of the output depends on the length of the input, which is variable.Problems such as sorting variable sized sequences, and various combinatorialoptimization problems belong to this class. It differs from the previous attentionattempts in that, instead of using attention to blend hidden units of anencoder to a context vector at each decoder step, it uses attention asa pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net).We show Ptr-Nets can be used to learn approximate solutions to threechallenging geometric problems -- finding planar convex hulls, computingDelaunay triangulations, and the planar Travelling Salesman Problem-- using training examples alone. Ptr-Nets not only improve oversequence-to-sequence with input attention, butalso allow us to generalize to variable size output dictionaries.We show that the learnt models generalize beyond the maximum lengthsthey were trained on. We hope our results on these taskswill encourage a broader exploration of neural learning for discreteproblems.

Open-world Semi-Supervised Learning (OSSL) is a realistic and challenging task, aiming to classify unlabeled samples from both seen and novel classes using partially labeled samples from the seen classes. Previous works typically explore the relationship of samples as priors on the pre-defined single-granularity labels to help novel class recognition. In fact, classes follow a taxonomy and samples can be classified at multiple levels of granularity, which contains more underlying relationships for supervision. We thus argue that learning with single-granularity labels results in sub-optimal representation learning and inaccurate pseudo labels, especially with unknown classes. In this paper, we take the initiative to explore and propose a uniformed framework, called Taxonomic context prIors Discovering and Aligning (TIDA), which exploits the relationship of samples under various granularity.