Person:

Alvarez Melis, David

Gradient flows are a powerful tool for optimizing functionals in general metric spaces, including the space of probabilities endowed with the Wasserstein metric. A typical approach to solving this optimization problem relies on its connection to the dynamic formulation of optimal transport and the celebrated Jordan-Kinderlehrer-Otto (JKO) scheme. However, this formulation involves optimization over convex functions, which is challenging, especially in high dimensions. In this work, we propose an approach that relies on the recently introduced input-convex neural networks (ICNN) to parameterize the space of convex functions in order to approximate the JKO scheme, as well as in designing functionals over measures that enjoy convergence guarantees. We derive a computationally efficient implementation of this JKO-ICNN framework and use various experiments to demonstrate its feasibility and validity in approximating solutions of low-dimensional partial differential equations with known solutions. We also explore the use of our JKO-ICNN approach in high dimensions with an experiment in controlled generation for molecular discovery.

Continuous word representations have been remarkably useful across NLP tasks but remain poorly understood. We ground word embeddings in semantic spaces studied in the cognitive-psychometric literature, taking these spaces as the primary objects to recover. To this end, we relate log co-occurrences of words in large corpora to semantic similarity assessments and show that co-occurrences are indeed consistent with an Euclidean semantic space hypothesis. Framing word embedding as metric recovery of a semantic space unifies existing word embedding algorithms, ties them to manifold learning, and demonstrates that existing algorithms are consistent metric recovery methods given co-occurrence counts from random walks. Furthermore, we propose a simple, principled, direct metric recovery algorithm that performs on par with the state-of-the-art word embedding and manifold learning methods. Finally, we complement recent fo-cus on analogies by constructing two new ineasoning datasets—series completion and classification—and demonstrate that word embeddings can be used to solve them as well.

Deep networks realize complex mappings that are often understood by their locally linear behavior at or around points of interest. For example, we use the derivative of the mapping with respect to its inputs for sensitivity analysis, or to explain (obtain coordinate relevance for) a prediction. One key challenge is that such derivatives are themselves inherently unstable. In this paper, we propose a new learning problem to encourage deep networks to have stable derivatives over larger regions. While the problem is challenging in general, we focus on networks with piecewise linear activation functions. Our algorithm consists of an inference step that identifies a region around a point where linear approximation is provably stable, and an optimization step to expand such regions. We propose a novel relaxation to scale the algorithm to realistic models. We illustrate our method with residual and recurrent networks on image and sequence datasets

Optimal transport aligns samples across distributions by minimizing the transportation cost between them, e.g., the geometric distances. Yet, it ignores coherence structure in the data such as clusters, does not handle outliers well, and cannot integrate new data points. To address these drawbacks, we propose InfoOT, an informationtheoretic extension of optimal transport that maximizes the mutual information between domains while minimizing geometric distances. The resulting objective can still be formulated as a (generalized) optimal transport problem, and can be efficiently solved by projected gradient descent. This formulation yields a new projection method that is robust to outliers and generalizes to unseen samples. Empirically, InfoOT improves the quality of alignments across benchmarks in domain adaptation, cross-domain retrieval, and singlecell alignment. The code is available at https://github.com/chingyaoc/InfoOT.

Optimal Transport has recently gained interest in machine learning for applications ranging from domain adaptation to sentence similarities or deep learning. Yet, its ability to capture frequently occurring structure beyond the "ground metric" is limited. In this work, we develop a nonlinear generalization of (discrete) optimal transport that is able toreflect much additional structure. We demonstrate how to leverage the geometry of this new model for fast algorithms, and explore connections and properties. Illustrative experiments highlight the benefit of the induced structured couplings for tasks in domain adaptation and natural language processing.

Many problems in machine learning involve calculating correspondences between sets of objects, such as point clouds or images. Discrete optimal transport provides a natural and successful approach to such tasks whenever the two sets of objects can be represented in the same space, or at least distances between them can be directly evaluated. Unfortunately neither requirement is likely to hold when object representations are learned from data. Indeed, automatically derived representations such as word embeddings are typically fixed only up to some global transformations, for example, reflection or rotation. As a result, pairwise distances across two such instances are ill-defined without specifying their relative transformation. In this work, we propose a general framework for optimal transport in the presence of latent global transformations. We cast the problem as a joint optimization over transport couplings and transformations chosen from a flexible class of invariances, propose algorithms to solve it, and show promising results in various tasks, including a popular unsupervised word translation benchmark.

We propose a neural network architecture for generating tree-structured objects from encoded representations. The core of the method is a doubly recurrent neural network model comprised of separate width and depth recurrences that are combined inside each cell (node) to generate an output. The topology of the tree is modeled explicitly together with the content. That is, in response to an encoded vector representation, co-evolving recurrences are used to realize the associated tree and the labels for the nodes in the tree. We test this architecture in an encoder-decoder framework, where we train a network to encode a sentence as a vector, and then generate a tree structure from it. The experimental results show the effectiveness of this architecture at recovering latent tree structure in sequences and at mapping sentences to simple functional programs.

We take inspiration from the study of human explanation to inform the design and evaluation of interpretability methods in machine learning. First, we survey the literature on human explanation in philosophy, cognitive science, and the social sciences, and propose a list of design principles for machine- generated explanations that are meaningful to humans. Using the concept of weight of evidence from information theory, we develop a method for generating explanations that adhere to these principles. We show that this method can be adapted to handle high-dimensional, multi-class settings, yielding a flexible framework for generating explanations. We demonstrate that these explanations can be estimated accurately from finite samples and are robust to small perturbations of the inputs. We also evaluate our method through a qualitative user study with machine learning practitioners, where we observe that the resulting explanations are usable despite some participants struggling with background concepts like prior class probabilities. Finally, we conclude by surfacing design implications for interpretability tools in general.

Most recent work on interpretability of complex machine learning models has focused on estimating a posteriori explanations for previously trained models around specific predictions. Self-explaining models where interpretability plays a key role already during learning have received much less attention. We propose three desiderata for explanations in general — explicitness, faithfulness, and stability — and show that existing methods do not satisfy them. In response, we design self-explaining models in stages, progressively generalizing linear classifiers to complex yet architecturally explicit models. Faithfulness and stability are enforced via regularization specifically tailored to such models. Experimental results across various benchmark datasets show that our framework offers a promising direction for reconciling model complexity and interpretability.

Generative Adversarial Networks have shown remarkable success in learning a distribution that faithfully recovers a reference distribution in its entirety. However, in some cases, we may want to only learn some aspects (e.g., cluster or manifold structure), while modifying others (e.g., style, orientation or dimension). In this work, we propose an approach to learn generative models across such incomparable spaces, and demonstrate how to steer the learned distribution towards target properties. A key component of our model is the Gromov-Wasserstein distance, a notion of discrepancy that compares distributions relationally rather than absolutely. While this framework subsumes current generative models in identically reproducing distributions, its inherent flexibility allows application to tasks in manifold learning, relational learning and cross-domain learning.