Hannes Schulz

Claudio Zeni, Robert Pinsler, Daniel Zügner et al. · cambridge

The design of functional materials with desired properties is essential in driving technological advances in areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for materials design by directly generating entirely novel materials given desired property constraints. Despite recent progress, current generative models have low success rate in proposing stable crystals, or can only satisfy a very limited set of property constraints. Here, we present MatterGen, a model that generates stable, diverse inorganic materials across the periodic table and can further be fine-tuned to steer the generation towards a broad range of property constraints. To enable this, we introduce a new diffusion-based generative process that produces crystalline structures by gradually refining atom types, coordinates, and the periodic lattice. We further introduce adapter modules to enable fine-tuning towards any given property constraints with a labeled dataset. Compared to prior generative models, structures produced by MatterGen are more than twice as likely to be novel and stable, and more than 15 times closer to the local energy minimum. After fine-tuning, MatterGen successfully generates stable, novel materials with desired chemistry, symmetry, as well as mechanical, electronic and magnetic properties. Finally, we demonstrate multi-property materials design capabilities by proposing structures that have both high magnetic density and a chemical composition with low supply-chain risk. We believe that the quality of generated materials and the breadth of MatterGen's capabilities represent a major advancement towards creating a universal generative model for materials design.

Alessandro Sordoni, Nouha Dziri, Hannes Schulz et al.

Recent contrastive representation learning methods rely on estimating mutual information (MI) between multiple views of an underlying context. E.g., we can derive multiple views of a given image by applying data augmentation, or we can split a sequence into views comprising the past and future of some step in the sequence. Contrastive lower bounds on MI are easy to optimize, but have a strong underestimation bias when estimating large amounts of MI. We propose decomposing the full MI estimation problem into a sum of smaller estimation problems by splitting one of the views into progressively more informed subviews and by applying the chain rule on MI between the decomposed views. This expression contains a sum of unconditional and conditional MI terms, each measuring modest chunks of the total MI, which facilitates approximation via contrastive bounds. To maximize the sum, we formulate a contrastive lower bound on the conditional MI which can be approximated efficiently. We refer to our general approach as Decomposed Estimation of Mutual Information (DEMI). We show that DEMI can capture a larger amount of MI than standard non-decomposed contrastive bounds in a synthetic setting, and learns better representations in a vision domain and for dialogue generation.

Bita Hasheminezhad, Shahrzad Shirzad, Nanmiao Wu et al.

Although recent scaling up approaches to training deep neural networks have proven to be effective, the computational intensity of large and complex models, as well as the availability of large-scale datasets, require deep learning frameworks to utilize scaling out techniques. Parallelization approaches and distribution requirements are not considered in the preliminary designs of most available distributed deep learning frameworks, and most of them still are not able to perform effective and efficient fine-grained inter-node communication. We present Phylanx that has the potential to alleviate these shortcomings. Phylanx offers a productivity-oriented frontend where user Python code is translated to a futurized execution tree that can be executed efficiently on multiple nodes using the C++ standard library for parallelism and concurrency (HPX), leveraging fine-grained threading and an active messaging task-based runtime system.

Igor Shalyminov, Alessandro Sordoni, Adam Atkinson et al.

Domain adaptation has recently become a key problem in dialogue systems research. Deep learning, while being the preferred technique for modeling such systems, works best given massive training data. However, in the real-world scenario, such resources aren't available for every new domain, so the ability to train with a few dialogue examples can be considered essential. Pre-training on large data sources and adapting to the target data has become the standard method for few-shot problems within the deep learning framework. In this paper, we present the winning entry at the fast domain adaptation task of DSTC8, a hybrid generative-retrieval model based on GPT-2 fine-tuned to the multi-domain MetaLWOz dataset. Robust and diverse in response generation, our model uses retrieval logic as a fallback, being SoTA on MetaLWOz in human evaluation (>4% improvement over the 2nd place system) and attaining competitive generalization performance in adaptation to the unseen MultiWOZ dataset.

Seokhwan Kim, Michel Galley, Chulaka Gunasekara et al.

This paper introduces the Eighth Dialog System Technology Challenge. In line with recent challenges, the eighth edition focuses on applying end-to-end dialog technologies in a pragmatic way for multi-domain task-completion, noetic response selection, audio visual scene-aware dialog, and schema-guided dialog state tracking tasks. This paper describes the task definition, provided datasets, and evaluation set-up for each track. We also summarize the results of the submitted systems to highlight the overall trends of the state-of-the-art technologies for the tasks.

Raymond Li, Samira Kahou, Hannes Schulz et al.

There has been growing interest in using neural networks and deep learning techniques to create dialogue systems. Conversational recommendation is an interesting setting for the scientific exploration of dialogue with natural language as the associated discourse involves goal-driven dialogue that often transforms naturally into more free-form chat. This paper provides two contributions. First, until now there has been no publicly available large-scale dataset consisting of real-world dialogues centered around recommendations. To address this issue and to facilitate our exploration here, we have collected ReDial, a dataset consisting of over 10,000 conversations centered around the theme of providing movie recommendations. We make this data available to the community for further research. Second, we use this dataset to explore multiple facets of conversational recommendations. In particular we explore new neural architectures, mechanisms, and methods suitable for composing conversational recommendation systems. Our dataset allows us to systematically probe model sub-components addressing different parts of the overall problem domain ranging from: sentiment analysis and cold-start recommendation generation to detailed aspects of how natural language is used in this setting in the real world. We combine such sub-components into a full-blown dialogue system and examine its behavior.

Dat Tien Nguyen, Shikhar Sharma, Hannes Schulz et al.

Understanding audio-visual content and the ability to have an informative conversation about it have both been challenging areas for intelligent systems. The Audio Visual Scene-aware Dialog (AVSD) challenge, organized as a track of the Dialog System Technology Challenge 7 (DSTC7), proposes a combined task, where a system has to answer questions pertaining to a video given a dialogue with previous question-answer pairs and the video itself. We propose for this task a hierarchical encoder-decoder model which computes a multi-modal embedding of the dialogue context. It first embeds the dialogue history using two LSTMs. We extract video and audio frames at regular intervals and compute semantic features using pre-trained I3D and VGGish models, respectively. Before summarizing both modalities into fixed-length vectors using LSTMs, we use FiLM blocks to condition them on the embeddings of the current question, which allows us to reduce the dimensionality considerably. Finally, we use an LSTM decoder that we train with scheduled sampling and evaluate using beam search. Compared to the modality-fusing baseline model released by the AVSD challenge organizers, our model achieves a relative improvements of more than 16%, scoring 0.36 BLEU-4 and more than 33%, scoring 0.997 CIDEr.

Alaaeldin El-Nouby, Shikhar Sharma, Hannes Schulz et al.

Conditional text-to-image generation is an active area of research, with many possible applications. Existing research has primarily focused on generating a single image from available conditioning information in one step. One practical extension beyond one-step generation is a system that generates an image iteratively, conditioned on ongoing linguistic input or feedback. This is significantly more challenging than one-step generation tasks, as such a system must understand the contents of its generated images with respect to the feedback history, the current feedback, as well as the interactions among concepts present in the feedback history. In this work, we present a recurrent image generation model which takes into account both the generated output up to the current step as well as all past instructions for generation. We show that our model is able to generate the background, add new objects, and apply simple transformations to existing objects. We believe our approach is an important step toward interactive generation. Code and data is available at: https://www.microsoft.com/en-us/research/project/generative-neural-visual-artist-geneva/ .

Ali Emami, Paul Trichelair, Adam Trischler et al.

We introduce a new benchmark for coreference resolution and NLI, Knowref, that targets common-sense understanding and world knowledge. Previous coreference resolution tasks can largely be solved by exploiting the number and gender of the antecedents, or have been handcrafted and do not reflect the diversity of naturally occurring text. We present a corpus of over 8,000 annotated text passages with ambiguous pronominal anaphora. These instances are both challenging and realistic. We show that various coreference systems, whether rule-based, feature-rich, or neural, perform significantly worse on the task than humans, who display high inter-annotator agreement. To explain this performance gap, we show empirically that state-of-the art models often fail to capture context, instead relying on the gender or number of candidate antecedents to make a decision. We then use problem-specific insights to propose a data-augmentation trick called antecedent switching to alleviate this tendency in models. Finally, we show that antecedent switching yields promising results on other tasks as well: we use it to achieve state-of-the-art results on the GAP coreference task.

Shikhar Sharma, Layla El Asri, Hannes Schulz et al.

Automated metrics such as BLEU are widely used in the machine translation literature. They have also been used recently in the dialogue community for evaluating dialogue response generation. However, previous work in dialogue response generation has shown that these metrics do not correlate strongly with human judgment in the non task-oriented dialogue setting. Task-oriented dialogue responses are expressed on narrower domains and exhibit lower diversity. It is thus reasonable to think that these automated metrics would correlate well with human judgment in the task-oriented setting where the generation task consists of translating dialogue acts into a sentence. We conduct an empirical study to confirm whether this is the case. Our findings indicate that these automated metrics have stronger correlation with human judgments in the task-oriented setting compared to what has been observed in the non task-oriented setting. We also observe that these metrics correlate even better for datasets which provide multiple ground truth reference sentences. In addition, we show that some of the currently available corpora for task-oriented language generation can be solved with simple models and advocate for more challenging datasets.

Hannes Schulz, Jeremie Zumer, Layla El Asri et al.

Recently, resources and tasks were proposed to go beyond state tracking in dialogue systems. An example is the frame tracking task, which requires recording multiple frames, one for each user goal set during the dialogue. This allows a user, for instance, to compare items corresponding to different goals. This paper proposes a model which takes as input the list of frames created so far during the dialogue, the current user utterance as well as the dialogue acts, slot types, and slot values associated with this utterance. The model then outputs the frame being referenced by each triple of dialogue act, slot type, and slot value. We show that on the recently published Frames dataset, this model significantly outperforms a previously proposed rule-based baseline. In addition, we propose an extensive analysis of the frame tracking task by dividing it into sub-tasks and assessing their difficulty with respect to our model.

Layla El Asri, Hannes Schulz, Shikhar Sharma et al.

This paper presents the Frames dataset (Frames is available at http://datasets.maluuba.com/Frames), a corpus of 1369 human-human dialogues with an average of 15 turns per dialogue. We developed this dataset to study the role of memory in goal-oriented dialogue systems. Based on Frames, we introduce a task called frame tracking, which extends state tracking to a setting where several states are tracked simultaneously. We propose a baseline model for this task. We show that Frames can also be used to study memory in dialogue management and information presentation through natural language generation.

Shikhar Sharma, Jing He, Kaheer Suleman et al.

Natural language generation plays a critical role in spoken dialogue systems. We present a new approach to natural language generation for task-oriented dialogue using recurrent neural networks in an encoder-decoder framework. In contrast to previous work, our model uses both lexicalized and delexicalized components i.e. slot-value pairs for dialogue acts, with slots and corresponding values aligned together. This allows our model to learn from all available data including the slot-value pairing, rather than being restricted to delexicalized slots. We show that this helps our model generate more natural sentences with better grammar. We further improve our model's performance by transferring weights learnt from a pretrained sentence auto-encoder. Human evaluation of our best-performing model indicates that it generates sentences which users find more appealing.

Mehdi Fatemi, Layla El Asri, Hannes Schulz et al.

In this paper, we propose to use deep policy networks which are trained with an advantage actor-critic method for statistically optimised dialogue systems. First, we show that, on summary state and action spaces, deep Reinforcement Learning (RL) outperforms Gaussian Processes methods. Summary state and action spaces lead to good performance but require pre-engineering effort, RL knowledge, and domain expertise. In order to remove the need to define such summary spaces, we show that deep RL can also be trained efficiently on the original state and action spaces. Dialogue systems based on partially observable Markov decision processes are known to require many dialogues to train, which makes them unappealing for practical deployment. We show that a deep RL method based on an actor-critic architecture can exploit a small amount of data very efficiently. Indeed, with only a few hundred dialogues collected with a handcrafted policy, the actor-critic deep learner is considerably bootstrapped from a combination of supervised and batch RL. In addition, convergence to an optimal policy is significantly sped up compared to other deep RL methods initialized on the data with batch RL. All experiments are performed on a restaurant domain derived from the Dialogue State Tracking Challenge 2 (DSTC2) dataset.