We propose and analyze a regularization approach for structured prediction problems.

Furthermore, in contrast to standard stochastic learning, the correct output structure is not revealed to the learner.

Deep metric learning has gained much popularity in recent years, following the success of deep learning. However, existing frameworks of deep metric learning based on contrastive loss and triplet loss often suffer from slow convergence, partially because they employ only one negative example while not interacting with the other negative classes in each update. In this paper, we propose to address this problem with a new metric learning objective called multi-class N -pair loss . The proposed objective function firstly generalizes triplet loss by allowing joint comparison among more than one negative examples - more specifically, N -1 negative examples - and secondly reduces the computational burden of evaluating deep embedding vectors via an efficient batch construction strategy using only N pairs of examples, instead of ( N +1) N . We demonstrate the superiority of our proposed loss to the triplet loss as well as other competing loss functions for a variety of tasks on several visual recognition benchmark, including fine-grained object recognition and verification, image clustering and retrieval, and face verification and identification.

We present a general theoretical analysis of structured prediction with a series of new results.

We address the problem of multi-class classification in the case where the number of classes is very large.

Neural Information Processing Systems http://nips.cc/

Structured prediction provides a general framework to deal with supervised problems where the outputs have semantically rich structure.

The performance of machine learning models in drug discovery is highly dependent on the quality and consistency of the underlying training data. Due to limitations in dataset sizes, many models are trained by aggregating bioactivity data from diverse sources, including public databases such as ChEMBL. However, this approach often introduces significant noise due to variability in experimental protocols. We introduce AssayMatch, a framework for data selection that builds smaller, more homogenous training sets attuned to the test set of interest. AssayMatch leverages data attribution methods to quantify the contribution of each training assay to model performance. These attribution scores are used to finetune language embeddings of text-based assay descriptions to capture not just semantic similarity, but also the compatibility between assays. Unlike existing data attribution methods, our approach enables data selection for a test set with unknown labels, mirroring real-world drug discovery campaigns where the activities of candidate molecules are not known in advance. At test time, embeddings finetuned with AssayMatch are used to rank all available training data. We demonstrate that models trained on data selected by AssayMatch are able to surpass the performance of the model trained on the complete dataset, highlighting its ability to effectively filter out harmful or noisy experiments. We perform experiments on two common machine learning architectures and see increased prediction capability over a strong language-only baseline for 9/12 model-target pairs. AssayMatch provides a data-driven mechanism to curate higher-quality datasets, reducing noise from incompatible experiments and improving the predictive power and data efficiency of models for drug discovery. AssayMatch is available at https://github.com/Ozymandias314/AssayMatch.

We extend this work by including latent variables. We study a new family of loss functions under Gaussian perturbations and analyze the effect of the latent space on the generalization bounds.

We design differentially private learning algorithms that are agnostic to the learning model assuming access to a limited amount of unlabeled public data. First, we provide a new differentially private algorithm for answering a sequence of m online classification queries (given by a sequence of m unlabeled public feature vectors) based on a private training set. Our algorithm follows the paradigm of subsample-and-aggregate, in which any generic non-private learner is trained on disjoint subsets of the private training set, and then for each classification query, the votes of the resulting classifiers ensemble are aggregated in a differentially private fashion. Our private aggregation is based on a novel combination of the distance-to-instability framework [26], and the sparse-vector technique [15, 18]. We show that our algorithm makes a conservative use of the privacy budget. In particular, if the underlying non-private learner yields a classification error of at most α (0, 1), then our construction answers more queries, by at least a factor of 1/α in some cases, than what is implied by a straightforward application of the advanced composition theorem for differential privacy. Next, we apply the knowledge transfer technique to construct a private learner that outputs a classifier, which can be used to answer an unlimited number of queries. In the P AC model, we analyze our construction and prove upper bounds on the sample complexity for both the realizable and the non-realizable cases. Similar to non-private sample complexity, our bounds are completely characterized by the VC dimension of the concept class.