Efficient screening of chemicals is essential for exploring new materials. However, the search space is astronomically large, making calculations with conventional computers infeasible. For example, an N-component system of organic molecules generates >10 60N candidates. Here, a quantum-inspired annealing machine is used to tackle the challenge of the large search space. The prototype system extracts candidate chemicals and their composites with desirable parameters, such as melting temperature and ionic conductivity. The system can be at least 10 4 -10 8 times faster than conventional approaches. Such dramatic acceleration is critical for exploring the enormous search space in virtual screening of materials.

Automated molecule design by computers is an essential topic in materials informatics. Still, generating practical structures is not easy because of the difficulty in treating material stability, synthetic difficulty, mechanical properties, and other miscellaneous parameters, often leading to the generation of junk molecules. The problem is tackled by introducing supervised/unsupervised machine learning and quantum-inspired annealing. This autonomous molecular design system can help experimental researchers discover practical materials more efficiently. Like the human design process, new molecules are explored based on knowledge of existing compounds. A new solid-state polymer electrolyte for lithium-ion batteries is designed and synthesized, giving a promising room temperature conductivity of 10 −5 S cm −1 with reasonable thermal, chemical, and mechanical properties.

We propose a personalized dialogue scenario generation system which transmits efficient and coherent information with a real-time extractive summarization method optimized by an Ising machine. The summarization problem is formulated as a quadratic unconstraint binary optimization (QUBO) problem, which extracts sentences that maximize the sum of the degree of user's interest in the sentences of documents with the discourse structure of each document and the total utterance time as constraints. To evaluate the proposed method, we constructed a news article corpus with annotations of the discourse structure, users' profiles, and interests in sentences and topics. The experimental results confirmed that a Digital Annealer, which is a simulated annealing-based Ising machine, can solve our QUBO model in a practical time without violating the constraints using this dataset.

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