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Design generation, in its essence, is a step-by-step process where designers progressively refine and enhance their work through careful modifications. Despite this fundamental characteristic, existing approaches mainly treat design synthesis as a single-step generation problem, significantly underestimating the inherent complexity of the creative process. To bridge this gap, we propose a novel problem setting called Step-by-step Layered Design Generation, that tasks a machine learning model to generate a design, adhering to a sequence of instructions from a designer. Leveraging the recent advancements in Multi-modal LLMs, we propose SLEDGE: Step-by-step LayEred Design GEnerator to model each update to a design as an atomic layered change over its previous state, while being grounded on the instruction.To complement our new problem setting, we introduce a new evaluation suite, including a dataset and a benchmark. Our exhaustive experimental analysis and comparison with state-of-the-art approaches adapted to our new setup bring out the efficacy of our approach. We hope our work will attract attention to this pragmatic and under-explored research area.

AAAI 2026

Step-by-step Layered Design Generation

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We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-26 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and a range of other activities to be announced.<br><br>

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We are pleased to announce the Fortieth AAAI Conference on Artificial Intelligence (AAAI-26), which will be held in Singapore EXPO from January 20 to January 27, 2026.

Machine learning and data processing techniques relying on covariance information are widespread as they identify meaningful patterns in unsupervised and unlabeled settings. As a prominent example, Principal Component Analysis (PCA) projects data points onto the eigenvectors of their covariance matrix, capturing the directions of maximum variance. This mapping, however, falls short in two directions: it fails to capture information in low-variance directions, relevant when, e.g., the data contains high-variance noise; and it provides unstable results in low-sample regimes, especially when covariance eigenvalues are close. CoVariance Neural Networks (VNNs), i.e., graph neural networks using the covariance matrix as a graph, show improved stability to estimation errors and learn more expressive functions in the covariance spectrum than PCA, but require training and operate in a labeled setup. To get the benefits of both worlds, we propose Covariance Scattering Transforms (CSTs), deep untrained networks that sequentially apply filters localized in the covariance spectrum to the input data and produce expressive hierarchical representations via nonlinearities. We define the filters as covariance wavelets that capture specific and detailed covariance spectral patterns. We improve CSTs' computational and memory efficiency via a pruning mechanism, and we prove that their error due to finite-sample covariance estimations is less sensitive to close covariance eigenvalues compared to PCA, improving their stability. Our experiments on age prediction from cortical thickness measurements on 4 datasets collecting patients with neurodegenerative diseases show that CSTs produce stable representations in low-data settings, as VNNs but without any training, and lead to comparable or better predictions w.r.t. more complex learning models.

Covariance Scattering Transforms

CLIP (Contrastive Language-Image Pre-training) has attracted widespread attention for its multimodal generalizable knowledge, which is significant for downstream tasks. However, the computational overhead of a large number of parameters and large-scale pre-training poses challenges of pre-training a different scale of CLIP. Learngene extracts the generalizable components termed as learngene from an ancestry model and initializes diverse descendant models with it. Previous Learngene paradigms fail to handle the generalizable knowledge in multimodal scenarios. In this paper, we put forward the idea of utilizing a multimodal block to extract the multimodal generalizable knowledge, which inspires us to propose MM-LG (Multimodal Learngene), a novel framework designed to extract and leverage generalizable components from CLIP. Specifically, we first establish multimodal and unimodal blocks to extract the multimodal and unimodal generalizable knowledge in a weighted-sum manner. Subsequently, we employ these components to numerically initialize descendant models of varying scales and modalities. Extensive experiments demonstrate MM-LG's effectiveness, which achieves performance gains over existing learngene approaches (e.g.,+3.1% on Oxford-IIIT PET and +4.13% on Flickr30k) and comparable or superior results to the pre-training and fine-tuning paradigm (e.g.,+1.9% on Oxford-IIIT PET and +3.65% on Flickr30k). Notably, MM-LG requires only around 25% of the parameter storage while reducing around 2.8× pre-training costs for diverse model scales compared to the pre-training and fine-tuning paradigm, making it particularly suitable for efficient deployment across diverse downstream tasks.

Extracting Multimodal Learngene in CLIP: Unveiling the Multimodal Generalizable Knowledge

While Transformers have revolutionized time series forecasting, they remain trapped by manual architecture design—every model uses the same attention mechanism, normalization, and activation choices. What if we could automatically discover the perfect architectural recipe for each dataset? This work introduces STrans (Spontaneous Transformer), a comprehensive neural architecture search framework for time series Transformers that simultaneously explores attention variants, normalization techniques, activation functions, and encoding operations. Using differentiable architecture search, STrans automatically discovers architectures that outperform manually designed baselines. However, the experiments reveal a surprising and counterintuitive finding: complex searched architectures often fail catastrophically, while simpler configurations generalize better. This "search overfitting" phenomenon challenges fundamental assumptions about automated architecture design in time series domains. The work not only advances automated model design but uncovers critical insights that will reshape how we think about neural architecture search for temporal data.

STrans: Spontaneous Architecture Evolution for Adaptive Time Series Forecasting

Adversarial patch attacks inject localized perturbations into images to mislead deep vision models. These attacks can be physically deployed, posing serious risks to real-world applications. In this paper, we propose CertMask, a certifiably robust defense that constructs a provably sufficient set of binary masks to neutralize patch effects with strong theoretical guarantees. While the state-of-the-art approach (PatchCleanser) requires two rounds of masking and incurs $O(n^2)$ inference cost, CertMask performs only a single round of masking with $O(n)$ time complexity, where $n$ is the cardinality of the mask set to cover an input image. Our proposed mask set is computed using a mathematically rigorous coverage strategy that ensures each possible patch location is covered at least $k$ times, providing both efficiency and robustness. We offer a theoretical analysis of the coverage condition and prove its sufficiency for certification. Experiments on ImageNet, ImageNette, and CIFAR-10 show that CertMask improves certified robust accuracy by up to +13.4\% over PatchCleanser, while maintaining clean accuracy nearly identical to the vanilla model.

CertMask: Certifiable Defense Against Adversarial Patches via Theoretically Optimal Mask Coverage

Progress in medical image segmentation is fundamentally constrained by the scarcity of annotated data. While diffusion models offer a promising solution by generating high-fidelity image–mask pairs, their utility for downstream tasks remains underexplored. A key bottleneck lies in the misalignment between generation outputs and task-specific needs—samples are produced independently of their utility for downstream training. To this end, we propose Value-Guided Diffusion (VGD), a lightweight sampling framework that integrates downstream model feedback into the generative inference process. VGD estimates a value score for each sample based on its utility to downstream training, and leverages this signal to iteratively guide the denoising trajectory toward high-reward regions of the data manifold. Crucially, VGD can be seamlessly integrated into existing medical diffusion models without any additional training or architectural modifications. Extensive experiments across multiple diffusion backbones and segmentation benchmarks demonstrate that VGD significantly boosts downstream segmentation performance while maintaining visual fidelity. Our findings highlight a task-aware sampling principle with potential to underpin future synthetic segmentation pipelines.

VGD: Value-Guided Diffusion Toward High-Utility Medical Image Segmentation

Preference learning has gained significant attention in tasks involving subjective human judgments, such as speech emotion recognition (SER) and image aesthetic assessment. While pairwise frameworks such as RankNet offer robust modeling of relative preferences, they are inherently limited to local comparisons and struggle to capture global ranking consistency. To address these limitations, we propose RankList, a novel listwise preference learning framework that generalizes RankNet to structured list-level supervision. Our formulation explicitly models local and non-local ranking constraints within a probabilistic framework. The paper introduces a log-sum-exp approximation to improve training efficiency. We further extend RankList with skip-wise comparisons, enabling progressive exposure to complex list structures and enhancing global ranking fidelity. Extensive experiments demonstrate the superiority of our method across diverse modalities. On benchmark SER datasets (MSP-Podcast, IEMOCAP, BIIC Podcast), RankList achieves consistent improvements in Kendall's Tau and ranking accuracy compared to standard listwise baselines. We also validate our approach on aesthetic image ranking using the Artistic Image Aesthetics dataset, highlighting its broad applicability. Through ablation and cross-domain studies, we show that RankList not only improves in-domain ranking but also generalizes better across datasets. Our framework offers a unified, extensible approach for modeling ordered preferences in subjective learning scenarios.

RankList – a Listwise Preference Learning Framework for Predicting Subjective Preferences

Large Language Models (LLMs) are increasingly deployed in time-critical systems, such as robotics, autonomous driving, embodied intelligence, and industrial automation, where generating accurate responses within a given time budget is crucial for decision-making, control, or safety-critical tasks. However, the auto-regressive generation process of LLMs makes it challenging to model and estimate the end-to-end execution time. Furthermore, existing efficient inference methods based on a fixed key-value (KV) cache eviction ratio struggle to adapt to varying tasks with diverse time budgets, where an improper eviction ratio may lead to incomplete inference or a drop in response performance. In this paper, we propose TimeBill, a novel time-budgeted inference framework for LLMs that balances the inference efficiency and response performance. To be more specific, we propose a fine-grained response length predictor (RLP) and an execution time estimator (ETE) to accurately predict the end-to-end execution time of LLMs. Following this, we develop a time-budgeted efficient inference approach that adaptively adjusts the KV cache eviction ratio based on execution time prediction and the given time budget. Finally, through extensive experiments, we demonstrate the advantages of TimeBill in improving task completion rate and maintaining response performance under various overrun strategies.

TimeBill: Time-Budgeted Inference for Large Language Models

Large language models (LLM) have achieved remarkable performance across a wide range of tasks. However, their substantial parameter sizes pose significant challenges for deployment on edge devices with limited computational and memory resources. Low-rank compression is a promising approach to address this issue, as it reduces both computational and memory costs, making LLM more suitable for resource-constrained environments. Nonetheless, naïve low-rank compression methods require a significant reduction in the retained rank to achieve meaningful memory and computation savings. For a low-rank model, the ranks need to be reduced by more than half to yield efficiency gains.
Such aggressive truncation, however, typically results in substantial performance degradation.
To address this trade-off, we propose \textit{SkipCat}, a novel low-rank compression framework that enables the use of higher ranks while achieving the same compression rates. First, we introduce an intra-layer shared low-rank projection method, where multiple matrices that share the same input use a common projection. This reduces redundancy and improves compression efficiency. Second, we propose a block skipping technique that omits computations and memory transfers for selected sub-blocks within the low-rank decomposition. These two techniques jointly enable our compressed model to retain more effective ranks under the same compression budget.
Experimental results show that, \textit{without any additional fine-tuning}, our method outperforms previous low-rank compression approaches by 7\% accuracy improvement on zero-shot tasks under the same compression rate. These results highlight the effectiveness of our rank-maximized compression strategy in preserving model performance under tight resource constraints.

SkipCat: Rank-Maximized Low-Rank Compression of Large Language Models via Shared Projection and Block Skipping

Designing molecules with desired properties, aka the oRiented molEcule Design (RED), is a fundamental task in chemistry and materials science. While graph diffusion models (GDMs) and reinforcement learning techniques (RL) show promise in molecule structure generation and property optimization stages individually, their integration in the unified RED task often suffers from poor compatibility. The large variance among candidate molecular structures generated by GDMs can be amplified in the iterative optimization process of RL, leading to slow and unstable convergence. In this work, motivated by the adaptive and divide-and-conquer characteristics of Mixture of Experts (MoE) architecture, we propose a novel framework called MoE-Guided Graph Diffusion Model (MEGD) that incorporates the MoE architecture to guide the orchestration of GDM and RL, promoting faster and more stable convergence in the design process. MEGD is evaluated on benchmark datasets optimizing the physical and chemical properties of AI-generated molecular structures. On all three datasets, our method outperforms the best of 9 alternative models by 7.73\% on the target structural properties, while not penalizing other important application-level quality metrics of the generated molecules. A real-world case study on an emerging class of material, i.e., metal-organic framework, is also conducted, which further demonstrates the effectiveness of our method in accomplishing the RED task.

MoE-Guided Graph Diffusion for Oriented Molecule Design

We make three novel contributions to parameter learning and inference in probabilistic sentential decision diagrams (PSDDs). First, rather than traversing the entire PSDD during parameter learning for each dataset example, we pioneer the use of determinism to focus only on the activated partition. Second, we demonstrate how to prune deterministic computation in inference, thereby eliminating the need to propagate probability over every node in the network for each query. Third, we introduce a technique that parallelizes a single circuit evaluation, rather than parallelizing individual multiplications or layer-wise inference. For both learning and inference, experimental results on benchmark PSDDs from various application domains demonstrate state-of-the-art performance.

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