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Don't Give Up on Democratizing AI for the Wrong Reasons

Neural Information Processing Systems

The claim that the AI community, or society at large, should'democratize AI' has attracted considerable critical attention and controversy. Two core problems have arisen and remain unsolved: conceptual disagreement persists about what democratizing AI means; normative disagreement persists over whether democratizing AI is ethically and politically desirable. We identify eight common AI democratization traps: democratization-skeptical arguments that seem plausible at first glance, but turn out to be misconceptions. We develop arguments about how to resist each trap. We conclude that, while AI democratization may well have drawbacks, we should be cautious about dismissing AI democratization prematurely and for the wrong reasons. We offer a constructive roadmap for developing alternative conceptual and normative approaches to democratizing AI that successfully avoid the traps.


Metric Automata Theory: A Unifying Theory of RNNs

Neural Information Processing Systems

We propose Metric Automata Theory, an elegant generalisation of classic Automata Theory to continuous dynamical systems, that constitutes a unifying theory of all kinds of Recurrent Neural Networks (RNNs), including widely-adopted architectures such as xLSTM and State Space Models (SSMs). The theory allows one to analyse RNNs both in the finite and unbounded precision settings seamlessly, while utilising fundamental results of Automata Theory. It also provides a novel notion of robustness that guarantees numerical stability and contributes to stability of learning. We employ the theory to prove a comprehensive set of expressivity results for widely-adopted RNNs, with a focus on robustness and finite-precision. Notably, we contrast the capabilities of xLSTM and SSMs for robustly modelling all star-free regular languages--xLSTM can do so, while SSMs cannot robustly recognize the FLIP-FLOP language.


Sequence Modeling with Spectral Mean Flows

Neural Information Processing Systems

A key question in sequence modeling with neural networks is how to represent and learn highly nonlinear and probabilistic state dynamics. Operator theory views such dynamics as linear maps on Hilbert spaces containing mean embedding vectors of distributions, offering an appealing but currently overlooked perspective. We propose a new approach to sequence modeling based on an operator-theoretic view of a hidden Markov model (HMM).


Adaptive Kernel Design for Bayesian Optimization Is a Piece of CAKE with LLMs

Neural Information Processing Systems

The efficiency of Bayesian optimization (BO) relies heavily on the choice of the Gaussian process (GP) kernel, which plays a central role in balancing exploration and exploitation under limited evaluation budgets. Traditional BO methods often rely on fixed or heuristic kernel selection strategies, which can result in slow convergence or suboptimal solutions when the chosen kernel is poorly suited to the underlying objective function. To address this limitation, we propose a freshly-baked Context-Aware Kernel Evolution (CAKE) to enhance BO with large language models (LLMs). Concretely, CAKE leverages LLMs as the crossover and mutation operators to adaptively generate and refine GP kernels based on the observed data throughout the optimization process. To maximize the power of CAKE, we further propose BIC-Acquisition Kernel Ranking (BAKER) to select the most effective kernel through balancing the model fit measured by the Bayesian information criterion (BIC) with the expected improvement at each iteration of BO. Extensive experiments demonstrate that our fresh CAKE-based BO method consistently outperforms established baselines across a range of real-world tasks, including hyperparameter optimization, controller tuning, and photonic chip design.


Retrosynthesis Planning via Worst-path Policy Optimisation in Tree-structured MDPs

Neural Information Processing Systems

Retrosynthesis planning aims to decompose target molecules into available building blocks, forming a synthetic tree where each internal node represents an intermediate compound and each leaf ideally corresponds to a purchasable reactant. However, this tree becomes invalid if any leaf node is not a valid building block, making the planning process vulnerable to the weakest link in the synthetic route. Existing methods often optimise for average performance across branches, failing to account for this worst-case sensitivity.


PC-Net: Weakly Supervised Compositional Moment Retrieval via Proposal-Centric Network

Neural Information Processing Systems

With the exponential growth of video content, aiming at localizing relevant video moments based on natural language queries, video moment retrieval (VMR) has gained significant attention. Existing weakly supervised VMR methods focus on designing various feature modeling and modal interaction modules to alleviate the reliance on precise temporal annotations. However, these methods have poor generalization capabilities on compositional queries with novel syntactic structures or vocabulary in real-world scenarios. To this end, we propose a new task: weakly supervised compositional moment retrieval (WSCMR). This task trains models using only video-query pairs without precise temporal annotations, while enabling generalization to complex compositional queries.


Structured Initialization for Vision Transformers

Neural Information Processing Systems

In this paper, we propose integrating this inductive bias into ViTs, not through an architectural intervention but solely through initialization. The motivation here is to have a ViT that can enjoy strong CNN-like performance when data assets are small, but can still scale to ViT-like performance as the data expands. Our approach is motivated by our empirical results that random impulse filters can achieve commensurate performance to learned filters within a CNN. We improve upon current ViT initialization strategies, which typically rely on empirical heuristics such as using attention weights from pretrained models or focusing on the distribution of attention weights without enforcing structures. Empirical results demonstrate that our method significantly outperforms standard ViT initialization across numerous small and medium-scale benchmarks, including Food-101, CIFAR-10, CIFAR-100, STL-10, Flowers, and Pets, while maintaining comparative performance on large-scale datasets such as ImageNet-1K. Moreover, our initialization strategy can be easily integrated into various transformer-based architectures such as Swin Transformer and MLP-Mixer with consistent improvements in performance.


CAGE: Continuity-Aware edGE Network Unlocks Robust Floorplan Reconstruction

Neural Information Processing Systems

Traditional corner-based polygon representations are highly sensitive to noise and incomplete observations, often resulting in fragmented or implausible layouts. Recent line grouping methods leverage structural cues to improve robustness but still struggle to recover fine geometric details. To address these limitations, we propose a native edge-centric formulation, modeling each wall segment as a directed, geometrically continuous edge. This representation enables inference of coherent floorplan structures, ensuring watertight, topologically valid room boundaries while improving robustness and reducing artifacts. Towards this design, we develop a dual-query transformer decoder that integrates perturbed and latent queries within a denoising framework, which not only stabilizes optimization but also accelerates convergence. Extensive experiments on Structured3D and SceneCAD show that CAGE achieves state-of-the-art performance, with F1 scores of 99.1% (rooms), 91.7% (corners), and 89.3% (angles). The method also demonstrates strong cross-dataset generalization, underscoring the efficacy of our architectural innovations. Code and pretrained models are available on our project page: https://github.com/ee-Liu/CAGE.git.


Self-Assembling Graph Perceptrons

Neural Information Processing Systems

Inspired by the workings of biological brains, humans have designed artificial neural networks (ANNs), sparking profound advancements across various fields. However, the biological brain possesses high plasticity, enabling it to develop simple, efficient, and powerful structures to cope with complex external environments. In contrast, the superior performance of ANNs often relies on meticulously crafted architectures, which can make them vulnerable when handling complex inputs. Moreover, overparameterization often characterizes the most advanced ANNs. This paper explores the path toward building streamlined and plastic ANNs.


MLIP Arena: Advancing Fairness and Transparency in Machine Learning Interatomic Potentials via an Open, Accessible Benchmark Platform

Neural Information Processing Systems

Machine learning interatomic potentials (MLIPs) have revolutionized molecular and materials modeling, but existing benchmarks suffer from data leakage, limited transferability, and an over-reliance on error-based metrics tied to specific density functional theory (DFT) references. We introduce MLIP Arena, a benchmark platform that evaluates force field performance based on physics awareness, chemical reactivity, stability under extreme conditions, and predictive capabilities for thermodynamic properties and physical phenomena. By moving beyond static DFT references and revealing the important failure modes of current foundation MLIPs in real-world settings, MLIP Arena provides a reproducible framework to guide the next-generation MLIP development toward improved predictive accuracy and runtime efficiency while maintaining physical consistency.