Materials science datasets are inherently heterogeneous and are available in different modalities such as characterization spectra, atomic structures, microscopic images, and text-based synthesis conditions. The advancements in multi-modal learning, particularly in vision and language models, have opened new avenues for integrating data in different forms. In this work, we evaluate common techniques in multi-modal learning (alignment and fusion) in unifying some of the most important modalities in materials science: atomic structure, X-ray diffraction patterns (XRD), and composition. We show that structure graph modality can be enhanced by aligning with XRD patterns. Additionally, we show that aligning and fusing more experimentally accessible data formats, such as XRD patterns and compositions, can create more robust joint embeddings than individual modalities across various tasks. This lays the groundwork for future studies aiming to exploit the full potential of multi-modal data in materials science, facilitating more informed decision-making in materials design and discovery.

Knowledge graphs change over time, for example, when new entities are introduced or entity descriptions change. This impacts the performance of entity linking, a key task in many uses of knowledge graphs such as web search and recommendation. Specifically, entity linking models exhibit temporal degradation - their performance decreases the further a knowledge graph moves from its original state on which an entity linking model was trained. To tackle this challenge, we introduce \textbf{TIGER}: a \textbf{T}emporally \textbf{I}mproved \textbf{G}raph \textbf{E}ntity Linke\textbf{r}. By incorporating structural information between entities into the model, we enhance the learned representation, making entities more distinguishable over time. The core idea is to integrate graph-based information into text-based information, from which both distinct and shared embeddings are based on an entity's feature and structural relationships and their interaction. Experiments on three datasets show that our model can effectively prevent temporal degradation, demonstrating a 16.24\% performance boost over the state-of-the-art in a temporal setting when the time gap is one year and an improvement to 20.93\% as the gap expands to three years. The code and data are made available at \url{https://github.com/pengyu-zhang/TIGER-Temporally-Improved-Graph-Entity-Linker}.

Learning interpretable dialog structure from human-human dialogs yields basic insights into the structure of conversation, and also provides background knowledge to facilitate dialog generation. In this paper, we conduct unsupervised discovery of dialog structure from chitchat corpora, and then leverage it to facilitate dialog generation in downstream systems. To this end, we present a Discrete Variational Auto-Encoder with Graph Neural Network (DVAE-GNN), to discover a unified human-readable dialog structure. The structure is a two-layer directed graph that contains session-level semantics in the upper-layer vertices, utterance-level semantics in the lower-layer vertices, and edges among these semantic vertices. In particular, we integrate GNN into DVAE to fine-tune utterance-level semantics for more effective recognition of session-level semantic vertex. Furthermore, to alleviate the difficulty of discovering a large number of utterance-level semantics, we design a coupling mechanism that binds each utterance-level semantic vertex with a distinct phrase to provide prior semantics. Experimental results on two benchmark corpora confirm that DVAE-GNN can discover meaningful dialog structure, and the use of dialog structure graph as background knowledge can facilitate a graph grounded conversational system to conduct coherent multi-turn dialog generation.

In order to facilitate the accesses of general users to knowledge graphs, an increasing effort is being exerted to construct graph-structured queries of given natural language questions. At the core of the construction is to deduce the structure of the target query and determine the vertices/edges which constitute the query. Existing query construction methods rely on question understanding and conventional graph-based algorithms which lead to inefficient and degraded performances facing complex natural language questions over knowledge graphs with large scales. In this paper, we focus on this problem and propose a novel framework standing on recent knowledge graph embedding techniques. Our framework first encodes the underlying knowledge graph into a low-dimensional embedding space by leveraging generalized local knowledge graphs. Given a natural language question, the learned embedding representations of the knowledge graph are utilized to compute the query structure and assemble vertices/edges into the target query. Extensive experiments were conducted on the benchmark dataset, and the results demonstrate that our framework outperforms state-of-the-art baseline models regarding effectiveness and efficiency.

Constrained counting is a fundamental problem in artificial intelligence. A promising new algebraic approach to constrained counting makes use of tensor networks, following a reduction from constrained counting to the problem of tensor-network contraction. Contracting a tensor network efficiently requires determining an efficient order to contract the tensors inside the network, which is itself a difficult problem. In this work, we apply graph decompositions to find contraction orders for tensor networks. We prove that finding an efficient contraction order for a tensor network is equivalent to the well-known problem of finding an optimal carving decomposition. Thus memory-optimal contraction orders for planar tensor networks can be found in cubic time. We show that tree decompositions can be used both to find carving decompositions and to factor tensor networks with high-rank, structured tensors. We implement these algorithms on top of state-of-the-art solvers for tree decompositions and show empirically that the resulting weighted model counter is quite effective and useful as part of a portfolio of counters.

The problem of completing high-dimensional matrices from a limited set of observations arises in many big data applications, especially, recommender systems. Existing matrix completion models generally follow either a memory- or a model-based approach, whereas, geometric matrix completion models combine the best from both approaches. Existing deep-learning-based geometric models yield good performance, but, in order to operate, they require a fixed structure graph capturing the relationships among the users and items. This graph is typically constructed by evaluating a pre-defined similarity metric on the available observations or by using side information, e.g., user profiles. In contrast, Markov-random-fields-based models do not require a fixed structure graph but rely on handcrafted features to make predictions. When no side information is available and the number of available observations becomes very low, existing solutions are pushed to their limits. In this paper, we propose a geometric matrix completion approach that addresses these challenges. We consider matrix completion as a structured prediction problem in a conditional random field (CRF), which is characterized by a maximum a posterior (MAP) inference, and we propose a deep model that predicts the missing entries by solving the MAP inference problem. The proposed model simultaneously learns the similarities among matrix entries, computes the CRF potentials, and solves the inference problem. Its training is performed in an end-to-end manner, with a method to supervise the learning of entry similarities. Comprehensive experiments demonstrate the superior performance of the proposed model compared to various state-of-the-art models on popular benchmark datasets and underline its superior capacity to deal with highly incomplete matrices.