The GEM Benchmark: Natural Language Generation, its Evaluation and Metrics

We introduce GEM, a living benchmark for natural language Generation (NLG), its Evaluation, and Metrics. Measuring progress in NLG relies on a constantly evolving ecosystem of automated metrics, datasets, and human evaluation standards. However, due to this moving target, new models often still evaluate on divergent anglo-centric corpora with well-established, but flawed, metrics. This disconnect makes it challenging to identify the limitations of current models and opportunities for progress. Addressing this limitation, GEM provides an environment in which models can easily be applied to a wide set of corpora and evaluation strategies can be tested. Regular updates to the benchmark will help NLG research become more multilingual and evolve the challenge alongside models. This paper serves as the description of the initial release for which we are organizing a shared task at our ACL 2021 Workshop and to which we invite the entire NLG community to participate.

Latent Compass: Creation by Navigation

In Marius von Senden's Space and Sight, a newly sighted blind patient describes the experience of a corner as lemon-like, because corners "prick" sight like lemons prick the tongue. Prickliness, here, is a dimension in the feature space of sensory experience, an effect of the perceived on the perceiver that arises where the two interact. In the account of the newly sighted, an effect familiar from one interaction translates to a novel context. Perception serves as the vehicle for generalization, in that an effect shared across different experiences produces a concrete abstraction grounded in those experiences. Cezanne and the post-impressionists, fluent in the language of experience translation, realized that the way to paint a concrete form that best reflected reality was to paint not what they saw, but what it was like to see. We envision a future of creation using AI where what it is like to see is replicable, transferrable, manipulable - part of the artist's palette that is both grounded in a particular context, and generalizable beyond it. An active line of research maps human-interpretable features onto directions in GAN latent space. Supervised and self-supervised approaches that search for anticipated directions or use off-the-shelf classifiers to drive image manipulation in embedding space are limited in the variety of features they can uncover. Unsupervised approaches that discover useful new directions show that the space of perceptually meaningful directions is nowhere close to being fully mapped. As this space is broad and full of creative potential, we want tools for direction discovery that capture the richness and generalizability of human perception. Our approach puts creators in the discovery loop during real-time tool use, in order to identify directions that are perceptually meaningful to them, and generate interpretable image translations along those directions.

Understanding the Role of Individual Units in a Deep Neural Network

Deep neural networks excel at finding hierarchical representations that solve complex tasks over large data sets. How can we humans understand these learned representations? In this work, we present network dissection, an analytic framework to systematically identify the semantics of individual hidden units within image classification and image generation networks. First, we analyze a convolutional neural network (CNN) trained on scene classification and discover units that match a diverse set of object concepts. We find evidence that the network has learned many object classes that play crucial roles in classifying scene classes. Second, we use a similar analytic method to analyze a generative adversarial network (GAN) model trained to generate scenes. By analyzing changes made when small sets of units are activated or deactivated, we find that objects can be added and removed from the output scenes while adapting to the context. Finally, we apply our analytic framework to understanding adversarial attacks and to semantic image editing.

Accelerating Antimicrobial Discovery with Controllable Deep Generative Models and Molecular Dynamics

De novo therapeutic design is challenged by a vast chemical repertoire and multiple constraints such as high broad-spectrum potency and low toxicity. We propose CLaSS (Controlled Latent attribute Space Sampling) - a novel and efficient computational method for attribute-controlled generation of molecules, which leverages guidance from classifiers trained on an informative latent space of molecules modeled using a deep generative autoencoder. We further screen the generated molecules by using a set of deep learning classifiers in conjunction with novel physicochemical features derived from high-throughput molecular simulations. The proposed approach is employed for designing non-toxic antimicrobial peptides (AMPs) with strong broad-spectrum potency, which are emerging drug candidates for tackling antibiotic resistance. Synthesis and wet lab testing of only twenty designed sequences identified two novel and minimalist AMPs with high potency against diverse Gram-positive and Gram-negative pathogens, including the hard-to-treat multidrug-resistant K. pneumoniae, as well as low in vitro and in vivo toxicity. The proposed approach thus presents a viable path for faster discovery of potent and selective broad-spectrum antimicrobials with a higher success rate than state-of-the-art methods.

Semantic Photo Manipulation with a Generative Image Prior

Despite the recent success of GANs in synthesizing images conditioned on inputs such as a user sketch, text, or semantic labels, manipulating the high-level attributes of an existing natural photograph with GANs is challenging for two reasons. First, it is hard for GANs to precisely reproduce an input image. Second, after manipulation, the newly synthesized pixels often do not fit the original image. In this paper, we address these issues by adapting the image prior learned by GANs to image statistics of an individual image. Our method can accurately reconstruct the input image and synthesize new content, consistent with the appearance of the input image. We demonstrate our interactive system on several semantic image editing tasks, including synthesizing new objects consistent with background, removing unwanted objects, and changing the appearance of an object. Quantitative and qualitative comparisons against several existing methods demonstrate the effectiveness of our method.

Target-Specific and Selective Drug Design for COVID-19 Using Deep Generative Models

The recent COVID-19 pandemic has highlighted the need for rapid therapeutic development for infectious diseases. To accelerate this process, we present a deep learning based generative modeling framework, CogMol, to design drug candidates specific to a given target protein sequence with high off-target selectivity. We augment this generative framework with an in silico screening process that accounts for toxicity, to lower the failure rate of the generated drug candidates in later stages of the drug development pipeline. We apply this framework to three relevant proteins of the SARS-CoV-2, the virus responsible for COVID-19, namely non-structural protein 9 (NSP9) replicase, main protease, and the receptor-binding domain (RBD) of the S protein. Docking to the target proteins demonstrate the potential of these generated molecules as ligands. Structural similarity analyses further imply novelty of the generated molecules with respect to the training dataset as well as possible biological association of a number of generated molecules that might be of relevance to COVID-19 therapeutic design. While the validation of these molecules is underway, we release ~ 3000 novel COVID-19 drug candidates generated using our framework. URL : http://ibm.biz/covid19-mol

Seeing What a GAN Cannot Generate

Despite the success of Generative Adversarial Networks (GANs), mode collapse remains a serious issue during GAN training. To date, little work has focused on understanding and quantifying which modes have been dropped by a model. In this work, we visualize mode collapse at both the distribution level and the instance level. First, we deploy a semantic segmentation network to compare the distribution of segmented objects in the generated images with the target distribution in the training set. Differences in statistics reveal object classes that are omitted by a GAN. Second, given the identified omitted object classes, we visualize the GAN's omissions directly. In particular, we compare specific differences between individual photos and their approximate inversions by a GAN. To this end, we relax the problem of inversion and solve the tractable problem of inverting a GAN layer instead of the entire generator. Finally, we use this framework to analyze several recent GANs trained on multiple datasets and identify their typical failure cases.

exBERT: A Visual Analysis Tool to Explore Learned Representations in Transformers Models

Large language models can produce powerful contextual representations that lead to improvements across many NLP tasks. Since these models are typically guided by a sequence of learned self attention mechanisms and may comprise undesired inductive biases, it is paramount to be able to explore what the attention has learned. While static analyses of these models lead to targeted insights, interactive tools are more dynamic and can help humans better gain an intuition for the model-internal reasoning process. We present exBERT, an interactive tool named after the popular BERT language model, that provides insights into the meaning of the contextual representations by matching a human-specified input to similar contexts in a large annotated dataset. By aggregating the annotations of the matching similar contexts, exBERT helps intuitively explain what each attention-head has learned.

ConfusionFlow: A model-agnostic visualization for temporal analysis of classifier confusion

Classifiers are among the most widely used supervised machine learning algorithms. Many classification models exist, and choosing the right one for a given task is difficult. During model selection and debugging, data scientists need to asses classifier performance, evaluate the training behavior over time, and compare different models. Typically, this analysis is based on single-number performance measures such as accuracy. A more detailed evaluation of classifiers is possible by inspecting class errors. The confusion matrix is an established way for visualizing these class errors, but it was not designed with temporal or comparative analysis in mind. More generally, established performance analysis systems do not allow a combined temporal and comparative analysis of class-level information. To address this issue, we propose ConfusionFlow, an interactive, comparative visualization tool that combines the benefits of class confusion matrices with the visualization of performance characteristics over time. ConfusionFlow is model-agnostic and can be used to compare performances for different model types, model architectures, and/or training and test datasets. We demonstrate the usefulness of ConfusionFlow in the context of two practical problems: an analysis of the influence of network pruning on model errors, and a case study on instance selection strategies in active learning.

Ablate, Variate, and Contemplate: Visual Analytics for Discovering Neural Architectures

Deep learning models require the configuration of many layers and parameters in order to get good results. However, there are currently few systematic guidelines for how to configure a successful model. This means model builders often have to experiment with different configurations by manually programming different architectures (which is tedious and time consuming) or rely on purely automated approaches to generate and train the architectures (which is expensive). In this paper, we present Rapid Exploration of Model Architectures and Parameters, or REMAP, a visual analytics tool that allows a model builder to discover a deep learning model quickly via exploration and rapid experimentation of neural network architectures. In REMAP, the user explores the large and complex parameter space for neural network architectures using a combination of global inspection and local experimentation. Through a visual overview of a set of models, the user identifies interesting clusters of architectures. Based on their findings, the user can run ablation and variation experiments to identify the effects of adding, removing, or replacing layers in a given architecture and generate new models accordingly. They can also handcraft new models using a simple graphical interface. As a result, a model builder can build deep learning models quickly, efficiently, and without manual programming. We inform the design of REMAP through a design study with four deep learning model builders. Through a use case, we demonstrate that REMAP allows users to discover performant neural network architectures efficiently using visual exploration and user-defined semi-automated searches through the model space.