Generative models have achieved remarkable success in image, video, and text domains. Inspired by this, researchers have explored utilizing generative models to generate neural network parameters. However, these efforts have been limited by the parameter size and the practicality of generating high-performance parameters. In this paper, we propose COND P-DIFF, a novel approach that demonstrates the feasibility of controllable high-performance parameter generation, particularly for LoRA (Low-Rank Adaptation) weights, during the fine-tuning process. Specifically, we employ an autoencoder to extract efficient latent representations for parameters. We then train a conditional latent diffusion model to synthesize high-performing model parameters from random noise based on specific task conditions. Experimental results in both computer vision and natural language processing domains consistently demonstrate that COND P-DIFF can generate high-performance parameters conditioned on the given task. Moreover, we observe that the parameter distribution generated by COND P-DIFF exhibits differences compared to the distribution obtained through normal optimization methods, indicating a certain level of generalization capability. Our work paves the way for further exploration of condition-driven parameter generation, offering a promising direction for task-specific adaptation of neural networks.
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Recent advancements in molecular generative models have demonstrated substantial potential in accelerating scientific discovery, particularly in drug design. However, these models often face challenges in generating high-quality molecules, especially in conditional scenarios where specific molecular properties must be satisfied. In this work, we introduce GeoRCG, a general framework to enhance the performance of molecular generative models by integrating geometric representation conditions. We decompose the molecule generation process into two stages: first, generating an informative geometric representation; second, generating a molecule conditioned on the representation. Compared to directly generating a molecule, the relatively easy-to-generate representation in the first-stage guides the second-stage generation to reach a high-quality molecule in a more goal-oriented and much faster way. Leveraging EDM as the base generator, we observe significant quality improvements in unconditional molecule generation on the widely-used QM9 and GEOM-DRUG datasets. More notably, in the challenging conditional molecular generation task, our framework achieves an average 31\% performance improvement over state-of-the-art approaches, highlighting the superiority of conditioning on semantically rich geometric representations over conditioning on individual property values as in previous approaches. Furthermore, we show that, with such representation guidance, the number of diffusion steps can be reduced to as small as 100 while maintaining superior generation quality than that achieved with 1,000 steps, thereby significantly accelerating the generation process.
Diffusion models are initially designed for image generation. Recent research shows that the internal signals within their backbones, named activations, can also serve as dense features for various discriminative tasks such as semantic segmentation. Given numerous activations, selecting a small yet effective subset poses a fundamental problem. To this end, the early study of this field performs a large-scale quantitative comparison of the discriminative ability of the activations. However, we find that many potential activations have not been evaluated, such as the queries and keys used to compute attention scores. Moreover, recent advancements in diffusion architectures bring many new activations, such as those within embedded ViT modules. Both combined, activation selection remains unresolved but overlooked. To tackle this issue, this paper takes a further step with a much broader range of activations evaluated. Considering the significant increase in activations, a full-scale quantitative comparison is no longer operational. Instead, we seek to understand the properties of these activations, such that the activations that are clearly inferior can be filtered out in advance via simple qualitative evaluation. After careful analysis, we discover three properties universal among diffusion models, enabling this study to go beyond specific models. On top of this, we present effective feature selection solutions for several popular diffusion models. Finally, the experiments across multiple discriminative tasks validate the superiority of our method over the SOTA competitors. Our code is available at //github.com/Darkbblue/generic-diffusion-feature.
Diffusion Transformer (DiT), an emerging diffusion model for image generation, has demonstrated superior performance but suffers from substantial computational costs. Our investigations reveal that these costs stem from the static inference paradigm, which inevitably introduces redundant computation in certain diffusion timesteps and spatial regions. To address this inefficiency, we propose Dynamic Diffusion Transformer (DyDiT), an architecture that dynamically adjusts its computation along both timestep and spatial dimensions during generation. Specifically, we introduce a Timestep-wise Dynamic Width (TDW) approach that adapts model width conditioned on the generation timesteps. In addition, we design a Spatial-wise Dynamic Token (SDT) strategy to avoid redundant computation at unnecessary spatial locations. Extensive experiments on various datasets and different-sized models verify the superiority of DyDiT. Notably, with <3% additional fine-tuning iterations, our method reduces the FLOPs of DiT-XL by 51%, accelerates generation by 1.73, and achieves a competitive FID score of 2.07 on ImageNet. The code is publicly available at //github.com/NUS-HPC-AI-Lab/ Dynamic-Diffusion-Transformer.
The development of video large multimodal models (LMMs) has been hindered by the difficulty of curating large amounts of high-quality raw data from the web. To address this, we propose an alternative approach by creating a high-quality synthetic dataset specifically for video instruction-following, namely LLaVA-Video-178K. This dataset includes key tasks such as detailed captioning, open-ended question-answering (QA), and multiple-choice QA. By training on this dataset, in combination with existing visual instruction tuning data, we introduce LLaVA-Video, a new video LMM. Our experiments demonstrate that LLaVA-Video achieves strong performance across various video benchmarks, highlighting the effectiveness of our dataset. We plan to release the dataset, its generation pipeline, and the model checkpoints.
Mixed membership models are a flexible class of probabilistic data representations used for unsupervised and semi-supervised learning, allowing each observation to partially belong to multiple clusters or features. In this manuscript, we extend the framework of functional mixed membership models to allow for covariate-dependent adjustments. The proposed model utilizes a multivariate Karhunen-Lo\`eve decomposition, which allows for a scalable and flexible model. Within this framework, we establish a set of sufficient conditions ensuring the identifiability of the mean, covariance, and allocation structure up to a permutation of the labels. This manuscript is primarily motivated by studies on functional brain imaging through electroencephalography (EEG) of children with autism spectrum disorder (ASD). Specifically, we are interested in characterizing the heterogeneity of alpha oscillations for typically developing (TD) children and children with ASD. Since alpha oscillations are known to change as children develop, we aim to characterize the heterogeneity of alpha oscillations conditionally on the age of the child. Using the proposed framework, we were able to gain novel information on the developmental trajectories of alpha oscillations for children with ASD and how the developmental trajectories differ between TD children and children with ASD.
This paper presents a new approach for assembling graph neural networks based on framelet transforms. The latter provides a multi-scale representation for graph-structured data. With the framelet system, we can decompose the graph feature into low-pass and high-pass frequencies as extracted features for network training, which then defines a framelet-based graph convolution. The framelet decomposition naturally induces a graph pooling strategy by aggregating the graph feature into low-pass and high-pass spectra, which considers both the feature values and geometry of the graph data and conserves the total information. The graph neural networks with the proposed framelet convolution and pooling achieve state-of-the-art performance in many types of node and graph prediction tasks. Moreover, we propose shrinkage as a new activation for the framelet convolution, which thresholds the high-frequency information at different scales. Compared to ReLU, shrinkage in framelet convolution improves the graph neural network model in terms of denoising and signal compression: noises in both node and structure can be significantly reduced by accurately cutting off the high-pass coefficients from framelet decomposition, and the signal can be compressed to less than half its original size with the prediction performance well preserved.
Adversarial attack is a technique for deceiving Machine Learning (ML) models, which provides a way to evaluate the adversarial robustness. In practice, attack algorithms are artificially selected and tuned by human experts to break a ML system. However, manual selection of attackers tends to be sub-optimal, leading to a mistakenly assessment of model security. In this paper, a new procedure called Composite Adversarial Attack (CAA) is proposed for automatically searching the best combination of attack algorithms and their hyper-parameters from a candidate pool of \textbf{32 base attackers}. We design a search space where attack policy is represented as an attacking sequence, i.e., the output of the previous attacker is used as the initialization input for successors. Multi-objective NSGA-II genetic algorithm is adopted for finding the strongest attack policy with minimum complexity. The experimental result shows CAA beats 10 top attackers on 11 diverse defenses with less elapsed time (\textbf{6 $\times$ faster than AutoAttack}), and achieves the new state-of-the-art on $l_{\infty}$, $l_{2}$ and unrestricted adversarial attacks.
Embedding models for deterministic Knowledge Graphs (KG) have been extensively studied, with the purpose of capturing latent semantic relations between entities and incorporating the structured knowledge into machine learning. However, there are many KGs that model uncertain knowledge, which typically model the inherent uncertainty of relations facts with a confidence score, and embedding such uncertain knowledge represents an unresolved challenge. The capturing of uncertain knowledge will benefit many knowledge-driven applications such as question answering and semantic search by providing more natural characterization of the knowledge. In this paper, we propose a novel uncertain KG embedding model UKGE, which aims to preserve both structural and uncertainty information of relation facts in the embedding space. Unlike previous models that characterize relation facts with binary classification techniques, UKGE learns embeddings according to the confidence scores of uncertain relation facts. To further enhance the precision of UKGE, we also introduce probabilistic soft logic to infer confidence scores for unseen relation facts during training. We propose and evaluate two variants of UKGE based on different learning objectives. Experiments are conducted on three real-world uncertain KGs via three tasks, i.e. confidence prediction, relation fact ranking, and relation fact classification. UKGE shows effectiveness in capturing uncertain knowledge by achieving promising results on these tasks, and consistently outperforms baselines on these tasks.
We investigate a lattice-structured LSTM model for Chinese NER, which encodes a sequence of input characters as well as all potential words that match a lexicon. Compared with character-based methods, our model explicitly leverages word and word sequence information. Compared with word-based methods, lattice LSTM does not suffer from segmentation errors. Gated recurrent cells allow our model to choose the most relevant characters and words from a sentence for better NER results. Experiments on various datasets show that lattice LSTM outperforms both word-based and character-based LSTM baselines, achieving the best results.
Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models, and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across all datasets.
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