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Metamaterials, synthetic materials with customized properties, have emerged as a promising field due to advancements in additive manufacturing. These materials derive unique mechanical properties from their internal lattice structures, which are often composed of multiple materials that repeat geometric patterns. While traditional inverse design approaches have shown potential, they struggle to map nonlinear material behavior to multiple possible structural configurations. This paper presents a novel framework leveraging video diffusion models, a type of generative artificial Intelligence (AI), for inverse multi-material design based on nonlinear stress-strain responses. Our approach consists of two key components: (1) a fields generator using a video diffusion model to create solution fields based on target nonlinear stress-strain responses, and (2) a structure identifier employing two UNet models to determine the corresponding multi-material 2D design. By incorporating multiple materials, plasticity, and large deformation, our innovative design method allows for enhanced control over the highly nonlinear mechanical behavior of metamaterials commonly seen in real-world applications. It offers a promising solution for generating next-generation metamaterials with finely tuned mechanical characteristics.

We introduce a generic, compositional and interpretable class of generative world models that supports open-ended learning agents. This is a sparse class of Bayesian networks capable of approximating a broad range of stochastic processes, which provide agents with the ability to learn world models in a manner that may be both interpretable and computationally scalable. This approach integrating Bayesian structure learning and intrinsically motivated (model-based) planning enables agents to actively develop and refine their world models, which may lead to open-ended learning and more robust, adaptive behavior.

Most recommender systems adopt collaborative filtering (CF) and provide recommendations based on past collective interactions. Therefore, the performance of CF algorithms degrades when few or no interactions are available, a scenario referred to as cold-start. To address this issue, previous work relies on models leveraging both collaborative data and side information on the users or items. Similar to multimodal learning, these models aim at combining collaborative and content representations in a shared embedding space. In this work we propose a novel technique for multimodal recommendation, relying on a multimodal Single-Branch embedding network for Recommendation (SiBraR). Leveraging weight-sharing, SiBraR encodes interaction data as well as multimodal side information using the same single-branch embedding network on different modalities. This makes SiBraR effective in scenarios of missing modality, including cold start. Our extensive experiments on large-scale recommendation datasets from three different recommendation domains (music, movie, and e-commerce) and providing multimodal content information (audio, text, image, labels, and interactions) show that SiBraR significantly outperforms CF as well as state-of-the-art content-based RSs in cold-start scenarios, and is competitive in warm scenarios. We show that SiBraR's recommendations are accurate in missing modality scenarios, and that the model is able to map different modalities to the same region of the shared embedding space, hence reducing the modality gap.

Detecting and measuring confounding effects from data is a key challenge in causal inference. Existing methods frequently assume causal sufficiency, disregarding the presence of unobserved confounding variables. Causal sufficiency is both unrealistic and empirically untestable. Additionally, existing methods make strong parametric assumptions about the underlying causal generative process to guarantee the identifiability of confounding variables. Relaxing the causal sufficiency and parametric assumptions and leveraging recent advancements in causal discovery and confounding analysis with non-i.i.d. data, we propose a comprehensive approach for detecting and measuring confounding. We consider various definitions of confounding and introduce tailored methodologies to achieve three objectives: (i) detecting and measuring confounding among a set of variables, (ii) separating observed and unobserved confounding effects, and (iii) understanding the relative strengths of confounding bias between different sets of variables. We present useful properties of a confounding measure and present measures that satisfy those properties. Empirical results support the theoretical analysis.

Due to scarcity of time-series data annotated with descriptive texts, training a model to generate descriptive texts for time-series data is challenging. In this study, we propose a method to systematically generate domain-independent descriptive texts from time-series data. We identify two distinct approaches for creating pairs of time-series data and descriptive texts: the forward approach and the backward approach. By implementing the novel backward approach, we create the Temporal Automated Captions for Observations (TACO) dataset. Experimental results demonstrate that a contrastive learning based model trained using the TACO dataset is capable of generating descriptive texts for time-series data in novel domains.

Physics-based simulation is essential for developing and evaluating robot manipulation policies, particularly in scenarios involving deformable objects and complex contact interactions. However, existing simulators often struggle to balance computational efficiency with numerical accuracy, especially when modeling deformable materials with frictional contact constraints. We introduce an efficient subspace representation for the Incremental Potential Contact (IPC) method, leveraging model reduction to decrease the number of degrees of freedom. Our approach decouples simulation complexity from the resolution of the input model by representing elasticity in a low-resolution subspace while maintaining collision constraints on an embedded high-resolution surface. Our barrier formulation ensures intersection-free trajectories and configurations regardless of material stiffness, time step size, or contact severity. We validate our simulator through quantitative experiments with a soft bubble gripper grasping and qualitative demonstrations of placing a plate on a dish rack. The results demonstrate our simulator's efficiency, physical accuracy, computational stability, and robust handling of frictional contact, making it well-suited for generating demonstration data and evaluating downstream robot training applications.

The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.

Molecular design and synthesis planning are two critical steps in the process of molecular discovery that we propose to formulate as a single shared task of conditional synthetic pathway generation. We report an amortized approach to generate synthetic pathways as a Markov decision process conditioned on a target molecular embedding. This approach allows us to conduct synthesis planning in a bottom-up manner and design synthesizable molecules by decoding from optimized conditional codes, demonstrating the potential to solve both problems of design and synthesis simultaneously. The approach leverages neural networks to probabilistically model the synthetic trees, one reaction step at a time, according to reactivity rules encoded in a discrete action space of reaction templates. We train these networks on hundreds of thousands of artificial pathways generated from a pool of purchasable compounds and a list of expert-curated templates. We validate our method with (a) the recovery of molecules using conditional generation, (b) the identification of synthesizable structural analogs, and (c) the optimization of molecular structures given oracle functions relevant to drug discovery.

The notion of uncertainty is of major importance in machine learning and constitutes a key element of machine learning methodology. In line with the statistical tradition, uncertainty has long been perceived as almost synonymous with standard probability and probabilistic predictions. Yet, due to the steadily increasing relevance of machine learning for practical applications and related issues such as safety requirements, new problems and challenges have recently been identified by machine learning scholars, and these problems may call for new methodological developments. In particular, this includes the importance of distinguishing between (at least) two different types of uncertainty, often refereed to as aleatoric and epistemic. In this paper, we provide an introduction to the topic of uncertainty in machine learning as well as an overview of hitherto attempts at handling uncertainty in general and formalizing this distinction in particular.

We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.