This paper introduces lateral thinking to implement System-2 reasoning capabilities in AI systems, focusing on anticipatory and causal reasoning under uncertainty. We present a framework for systematic generation and modeling of lateral thinking queries and evaluation datasets. We introduce Streaming Agentic Lateral Thinking (SALT), a multi-agent framework designed to process complex, low-specificity queries in streaming data environments. SALT implements lateral thinking-inspired System-2 reasoning through a dynamic communication structure between specialized agents. Our key insight is that lateral information flow across long-distance agent interactions, combined with fine-grained belief management, yields richer information contexts and enhanced reasoning. Preliminary quantitative and qualitative evaluations indicate SALT's potential to outperform single-agent systems in handling complex lateral reasoning tasks in a streaming environment.

The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic reasoning with quantum-chemistry based feedback from 3D atomistic representations. Our approach formulates catalyst discovery as an uncertain environment where an agent actively searches for highly effective catalysts via the iterative combination of large language model (LLM)-derived hypotheses and atomistic graph neural network (GNN)-derived feedback. Identified catalysts in intermediate search steps undergo structural evaluation based on spatial orientation, reaction pathways, and stability. Scoring functions based on adsorption energies and reaction energy barriers steer the exploration in the LLM's knowledge space toward energetically favorable, high-efficiency catalysts. We introduce planning methods that automatically guide the exploration without human input, providing competitive performance against expert-enumerated chemical descriptor-based implementations. By integrating language-guided reasoning with computational chemistry feedback, our work pioneers AI-accelerated, trustworthy catalyst discovery.

Integrating large language models (LLMs) with knowledge graphs derived from domain-specific data represents an important advancement towards more powerful and factual reasoning. As these models grow more capable, it is crucial to enable them to perform multi-step inferences over real-world knowledge graphs while minimizing hallucination. While large language models excel at conversation and text generation, their ability to reason over domain-specialized graphs of interconnected entities remains limited. For example, can we query a LLM to identify the optimal contact in a professional network for a specific goal, based on relationships and attributes in a private database? The answer is no--such capabilities lie beyond current methods. However, this question underscores a critical technical gap that must be addressed. Many high-value applications in areas such as science, security, and e-commerce rely on proprietary knowledge graphs encoding unique structures, relationships, and logical constraints. We introduce a fine-tuning framework for developing Graph-aligned LAnguage Models (GLaM) that transforms a knowledge graph into an alternate text representation with labeled question-answer pairs. We demonstrate that grounding the models in specific graph-based knowledge expands the models' capacity for structure-based reasoning. Our methodology leverages the large-language model's generative capabilities to create the dataset and proposes an efficient alternate to retrieval-augmented generation styled methods.

Hyperbolic neural networks can effectively capture the inherent hierarchy of graph datasets, and consequently a powerful choice of GNNs. However, they entangle multiple incongruent (gyro-)vector spaces within a layer, which makes them limited in terms of generalization and scalability. In this work, we propose the Poincare disk model as our search space, and apply all approximations on the disk (as if the disk is a tangent space derived from the origin), thus getting rid of all inter-space transformations. Such an approach enables us to propose a hyperbolic normalization layer and to further simplify the entire hyperbolic model to a Euclidean model cascaded with our hyperbolic normalization layer. We applied our proposed nonlinear hyperbolic normalization to the current state-of-the-art homogeneous and multi-relational graph networks. We demonstrate that our model not only leverages the power of Euclidean networks such as interpretability and efficient execution of various model components, but also outperforms both Euclidean and hyperbolic counterparts on various benchmarks. Our code is made publicly available at https://github.com/oom-debugger/ijcai23.

In practice, however, downstream tasks such as has gained a lot of attention in recent years [1, 5, 10, 31, 35, 37], link prediction require specific contextual information that can where a low-dimensional vector representation of each node in be extracted from the subgraphs related to the nodes provided as the graph is used for downstream applications such as link prediction input to the task. To tackle this challenge, we develop SLiCE, a [1, 5, 39] or multi-hop reasoning [8, 13, 42]. Many of the framework bridging static representation learning methods using existing methods focus on obtaining a static vector representation global information from the entire graph with localized attention per node that is agnostic to any specific context and is typically driven mechanisms to learn contextual node representations. We obtained by learning the importance of all of the node's immediate first pre-train our model in a self-supervised manner by introducing and multi-hop neighbors in the graph. However, we argue higher-order semantic associations and masking nodes, and that nodes in a heterogeneous network exhibit a different behavior, then fine-tune our model for a specific link prediction task. Instead based on different relation types and their participation in diverse of training node representations by aggregating information from network communities. Further, most downstream tasks such as link all semantic neighbors connected via metapaths, we automatically prediction are dependent on the specific contextual information learn the composition of different metapaths that characterize the related to the input nodes that can be extracted in the form of task context for a specific task without the need for any predefined specific subgraphs.

Representation learning methods that transform encoded data (e.g., diagnosis and drug codes) into continuous vector spaces (i.e., vector embeddings) are critical for the application of deep learning in healthcare. Initial work in this area explored the use of variants of the word2vec algorithm to learn embeddings for medical concepts from electronic health records or medical claims datasets. We propose learning embeddings for medical concepts by using graph-based representation learning methods on SNOMED-CT, a widely popular knowledge graph in the healthcare domain with numerous operational and research applications. Current work presents an empirical analysis of various embedding methods, including the evaluation of their performance on multiple tasks of biomedical relevance (node classification, link prediction, and patient state prediction). Our results show that concept embeddings derived from the SNOMED-CT knowledge graph significantly outperform state-of-the-art embeddings, showing 5-6x improvement in ``concept similarity" and 6-20\% improvement in patient diagnosis.