Leveraging the compositional nature of our world to expedite learning and facilitate generalization is a hallmark of human perception. In machine learning, on the other hand, achieving compositional generalization has proven to be an elusive goal, even for models with explicit compositional priors. To get a better handle on compositional generalization, we here approach it from the bottom up: Inspired by identifiable representation learning, we investigate compositionality as a property of the data-generating process rather than the data itself. This reformulation enables us to derive mild conditions on only the support of the training distribution and the model architecture, which are sufficient for compositional generalization. We further demonstrate how our theoretical framework applies to real-world scenarios and validate our findings empirically. Our results set the stage for a principled theoretical study of compositional generalization.

Neural Information Processing Systems http://nips.cc/

Food drying is widely used to reduce moisture content, ensure safety, and extend shelf life. Color evolution of food samples is an important indicator of product quality in food drying. Although existing studies have examined color changes under different drying conditions, current approaches primarily rely on low-dimensional color features and cannot fully capture the complex, dynamic color trajectories of food samples. Moreover, existing modeling approaches lack the ability to generalize to unseen process conditions. To address these limitations, we develop a novel multi-modal color-trajectory prediction method that integrates high-dimensional temporal color information with drying process parameters to enable accurate and data-efficient color trajectory prediction. Under unseen drying conditions, the model attains RMSEs of 2.12 for cookie drying and 1.29 for apple drying, reducing errors by over 90% compared with baseline models. These experimental results demonstrate the model's superior accuracy, robustness, and broad applicability. Introduction As a fundamental operation in industrial food processing, drying enables long-term preservation, enhances texture and flavor, and facilitates storage and transportation [1]. However, food drying is a highly complex process [2].

However, the previous works mainly focus on the least squares regression problem, not the classification task.

In the era of AI-driven science and engineering, we often want to design discrete objects in silico according to user-specified properties. For example, we may wish to design a protein to bind its target, arrange components within a circuit to minimize latency, or find materials with certain properties. Given a property predictive model, in silico design typically involves training a generative model over the design space (e.g., protein sequence space) to concentrate on designs with the desired properties. Distributional optimization -- which can be formalized as an estimation of distribution algorithm or as reinforcement learning policy optimization -- finds the generative model that maximizes an objective function in expectation. Optimizing a distribution over discrete-valued designs is in general challenging because of the combinatorial nature of the design space. However, many property predictors in scientific applications are decomposable in the sense that they can be factorized over design variables in a way that could in principle enable more effective optimization. For example, amino acids at a catalytic site of a protein may only loosely interact with amino acids of the rest of the protein to achieve maximal catalytic activity. Current distributional optimization algorithms are unable to make use of such decomposability structure. Herein, we propose and demonstrate use of a new distributional optimization algorithm, Decomposition-Aware Distributional Optimization (DADO), that can leverage any decomposability defined by a junction tree on the design variables, to make optimization more efficient. At its core, DADO employs a soft-factorized "search distribution" -- a learned generative model -- for efficient navigation of the search space, invoking graph message-passing to coordinate optimization across linked factors.

We propose a new method for learning with multi-field categorical data.