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FUG: Feature-Universal Graph Contrastive Pre-training for Graphs with Diverse Node Features

Neural Information Processing Systems

Graph Neural Networks (GNNs), known for their effective graph encoding, are extensively used across various fields. Graph self-supervised pre-training, which trains GNN encoders without manual labels to generate high-quality graph representations, has garnered widespread attention. However, due to the inherent complex characteristics in graphs, GNNs encoders pre-trained on one dataset struggle to directly adapt to others that have different node feature shapes.


A Decision-Language Model (DLM) for Dynamic Restless Multi-Armed Bandit Tasks in Public Health

Neural Information Processing Systems

Restless multi-armed bandits (RMAB) have demonstrated success in optimizing resource allocation for large beneficiary populations in public health settings. Unfortunately, RMAB models lack flexibility to adapt to evolving public health policy priorities. Concurrently, Large Language Models (LLMs) have emerged as adept automated planners across domains of robotic control and navigation. In this paper, we propose a Decision Language Model (DLM) for RMABs, enabling dynamic fine-tuning of RMAB policies in public health settings using human-language commands. We propose using LLMs as automated planners to (1) interpret human policy preference prompts, (2) propose reward functions as code for a multi-agent RMAB environment, and (3) iterate on the generated reward functions using feedback from grounded RMAB simulations. We illustrate the application of DLM in collaboration with ARMMAN, an India-based non-profit promoting preventative care for pregnant mothers, that currently relies on RMAB policies to optimally allocate health worker calls to low-resource populations. We conduct a technology demonstration in simulation using the Gemini Pro model, showing DLM can dynamically shape policy outcomes using only human prompts as input.


ROBIN: Robust and Invisible Watermarks for Diffusion Models with Adversarial Optimization

Neural Information Processing Systems

Watermarking generative content serves as a vital tool for authentication, ownership protection, and mitigation of potential misuse. Existing watermarking methods face the challenge of balancing robustness and concealment. They empirically inject a watermark that is both invisible and robust and passively achieve concealment by limiting the strength of the watermark, thus reducing the robustness. In this paper, we propose to explicitly introduce a watermark hiding process to actively achieve concealment, thus allowing the embedding of stronger watermarks. To be specific, we implant a robust watermark in an intermediate diffusion state and then guide the model to hide the watermark in the final generated image. We employ an adversarial optimization algorithm to produce the optimal hiding prompt guiding signal for each watermark. The prompt embedding is optimized to minimize artifacts in the generated image, while the watermark is optimized to achieve maximum strength. The watermark can be verified by reversing the generation process. Experiments on various diffusion models demonstrate the watermark remains verifiable even under significant image tampering and shows superior invisibility compared to other state-of-the-art robust watermarking methods.


LiteVAE: Lightweight and Efficient Variational Autoencoders for Latent Diffusion Models

Neural Information Processing Systems

Advances in latent diffusion models (LDMs) have revolutionized high-resolution image generation, but the design space of the autoencoder that is central to these systems remains underexplored. In this paper, we introduce LiteVAE, a new autoencoder design for LDMs, which leverages the 2D discrete wavelet transform to enhance scalability and computational efficiency over standard variational autoencoders (VAEs) with no sacrifice in output quality. We investigate the training methodologies and the decoder architecture of LiteVAE and propose several enhancements that improve the training dynamics and reconstruction quality. Our base LiteVAE model matches the quality of the established VAEs in current LDMs with a six-fold reduction in encoder parameters, leading to faster training and lower GPU memory requirements, while our larger model outperforms VAEs of comparable complexity across all evaluated metrics (rFID, LPIPS, PSNR, and SSIM).


Diffusion-Inspired Truncated Sampler for Text-Video Retrieval

Neural Information Processing Systems

Prevalent text-to-video retrieval methods represent multimodal text-video data in a joint embedding space, aiming at bridging the relevant text-video pairs and pulling away irrelevant ones. One main challenge in state-of-the-art retrieval methods lies in the modality gap, which stems from the substantial disparities between text and video and can persist in the joint space. In this work, we leverage the potential of Diffusion models to address the text-video modality gap by progressively aligning text and video embeddings in a unified space. However, we identify two key limitations of existing Diffusion models in retrieval tasks: The L2 loss does not fit the ranking problem inherent in text-video retrieval, and the generation quality heavily depends on the varied initial point drawn from the isotropic Gaussian, causing inaccurate retrieval. To this end, we introduce a new Diffusion-Inspired Truncated Sampler (DITS) that jointly performs progressive alignment and modality gap modeling in the joint embedding space. The key innovation of DITS is to leverage the inherent proximity of text and video embeddings, defining a truncated diffusion flow from the fixed text embedding to the video embedding, enhancing controllability compared to adopting the isotropic Gaussian. Moreover, DITS adopts the contrastive loss to jointly consider the relevant and irrelevant pairs, not only facilitating alignment but also yielding a discriminatively structured embedding. Experiments on five benchmark datasets suggest the state-of-the-art performance of DITS. We empirically find that DITS can also improve the structure of the CLIP embedding space.


Searching for Efficient Linear Layers over a Continuous Space of Structured Matrices

Neural Information Processing Systems

Dense linear layers are the dominant computational bottleneck in large neural networks, presenting a critical need for more efficient alternatives. Previous efforts to develop alternatives have focused on a small number of hand-crafted structured matrices, and have neglected to investigate whether these structures can surpass dense layers in terms of compute-optimal scaling laws when both the model size and training examples are optimally allocated. In this work, we present a unifying framework that enables searching among all linear operators expressible via an Einstein summation. This framework encompasses many previously proposed structures, such as low-rank, Kronecker, Tensor-Train, and Monarch, along with many novel structures. We develop a taxonomy of all such operators based on their computational and algebraic properties, which provides insights into their scaling laws. Combining these insights with empirical evaluation, we identify a subset of structures that achieve equal or better performance than dense layers as a function of training compute. To further improve their compute efficiency, we develop a natural extension of these performant structures that convert them into a sparse Mixture-of-Experts layer. The resulting layer significantly outperforms dense layers in compute-optimal training efficiency for GPT-2 language models.


Flexible Context-Driven Sensory Processing in Dynamical Vision Models

Neural Information Processing Systems

Visual representations become progressively more abstract along the cortical hierarchy. These abstract representations define notions like objects and shapes, but at the cost of spatial specificity. By contrast, low-level regions represent spatially local but simple input features. How do spatially non-specific representations of abstract concepts in high-level areas flexibly modulate the low-level sensory representations in appropriate ways to guide context-driven and goal-directed behaviors across a range of tasks? We build a biologically motivated and trainable neural network model of dynamics in the visual pathway, incorporating local, lateral, and feedforward synaptic connections, excitatory and inhibitory neurons, and long-range top-down inputs conceptualized as low-rank modulations of the input-driven sensory responses by high-level areas. We study this ${\bf D}$ynamical ${\bf C}$ortical ${\bf net}$work ($DCnet$) in a visual cue-delay-search task and show that the model uses its own cue representations to adaptively modulate its perceptual responses to solve the task, outperforming state-of-the-art DNN vision and LLM models. The model's population states over time shed light on the nature of contextual modulatory dynamics, generating predictions for experiments. We fine-tune the same model on classic psychophysics attention tasks, and find that the model closely replicates known reaction time results. This work represents a promising new foundation for understanding and making predictions about perturbations to visual processing in the brain.


Shadowheart SGD: Distributed Asynchronous SGD with Optimal Time Complexity Under Arbitrary Computation and Communication Heterogeneity

Neural Information Processing Systems

We consider nonconvex stochastic optimization problems in the asynchronous centralized distributed setup where the communication times from workers to a server can not be ignored, and the computation and communication times are potentially different for all workers. Using an unbiassed compression technique, we develop a new method--Shadowheart SGD--that provably improves the time complexities of all previous centralized methods. Moreover, we show that the time complexity of Shadowheart SGD is optimal in the family of centralized methods with compressed communication. We also consider the bidirectional setup, where broadcasting from the server to the workers is non-negligible, and develop a corresponding method.


Defending against Data-Free Model Extraction by Distributionally Robust Defensive Training

Neural Information Processing Systems

Data-Free Model Extraction (DFME) aims to clone a black-box model without knowing its original training data distribution, making it much easier for attackers to steal commercial models. Defense against DFME faces several challenges: (i) effectiveness; (ii) efficiency; (iii) no prior on the attacker's query data distribution and strategy. However, existing defense methods: (1) are highly computation and memory inefficient; or (2) need strong assumptions about attack data distribution; or (3) can only delay the attack or prove a model theft after the model stealing has happened. In this work, we propose a Memory and Computation efficient defense approach, named MeCo, to prevent DFME from happening while maintaining the model utility simultaneously by distributionally robust defensive training on the target victim model. Specifically, we randomize the input so that it: (1) causes a mismatch of the knowledge distillation loss for attackers; (2) disturbs the zeroth-order gradient estimation; (3) changes the label prediction for the attack query data. Therefore, the attacker can only extract misleading information from the black-box model. Extensive experiments on defending against both decision-based and score-based DFME demonstrate that MeCo can significantly reduce the effectiveness of existing DFME methods and substantially improve running efficiency.


DiGRAF: Diffeomorphic Graph-Adaptive Activation Function

Neural Information Processing Systems

In this paper, we propose a novel activation function tailored specifically for graph data in Graph Neural Networks (GNNs). Motivated by the need for graph-adaptive and flexible activation functions, we introduce DiGRAF, leveraging Continuous Piecewise-Affine Based (CPAB) transformations, which we augment with an additional GNN to learn a graph-adaptive diffeomorphic activation function in an end-to-end manner. In addition to its graph-adaptivity and flexibility, DiGRAF also possesses properties that are widely recognized as desirable for activation functions, such as differentiability, boundness within the domain, and computational efficiency. We conduct an extensive set of experiments across diverse datasets and tasks, demonstrating a consistent and superior performance of DiGRAF compared to traditional and graph-specific activation functions, highlighting its effectiveness as an activation function for GNNs.