Diffusion generative models unlock new possibilities for inverse problems as they allow for the incorporation of strong empirical priors in scientific inference. Recently, diffusion models are repurposed for solving inverse problems using Gaussian approximations to conditional densities of the reverse process via Tweedie's formula to parameterise the mean, complemented with various heuristics. To address various challenges arising from these approximations, we leverage higher order information using Tweedie's formula and obtain a statistically principled approximation. We further provide a theoretical guarantee specifically for posterior sampling which can lead to a better theoretical understanding of diffusion-based conditional sampling. Finally, we illustrate the empirical effectiveness of our approach for general linear inverse problems on toy synthetic examples as well as image restoration. We show that our method (i) removes any time-dependent step-size hyperparameters required by earlier methods, (ii) brings stability and better sample quality across multiple noise levels, (iii) is the only method that works in a stable way with variance exploding (VE) forward processes as opposed to earlier works.
The adoption of increasingly complex deep models has fueled an urgent need for insight into how these models make predictions. Counterfactual explanations form a powerful tool for providing actionable explanations to practitioners. Previously, counterfactual explanation methods have been designed by traversing the latent space of generative models. Yet, these latent spaces are usually greatly simplified, with most of the data distribution complexity contained in the decoder rather than the latent embedding. Thus, traversing the latent space naively without taking the nonlinear decoder into account can lead to unnatural counterfactual trajectories. We introduce counterfactual explanations obtained using a Riemannian metric pulled back via the decoder and the classifier under scrutiny. This metric encodes information about the complex geometric structure of the data and the learned representation, enabling us to obtain robust counterfactual trajectories with high fidelity, as demonstrated by our experiments in real-world tabular datasets.
To control the behavior of language models, steering methods attempt to ensure that outputs of the model satisfy specific pre-defined properties. Adding steering vectors to the model is a promising method of model control that is easier than finetuning, and may be more robust than prompting. However, it can be difficult to anticipate the effects of steering vectors produced by almost all existing methods, such as CAA (Panickssery et al., 2024) or the direct use of SAE latents (Templeton et al., 2024). In our work, we address this issue by using SAEs to measure the effects of steering vectors, giving us a method that can be used to understand the causal effect of any steering vector intervention. We use this method for measuring causal effects to develop an improved steering method, SAE-Targeted Steering (SAE-TS), which finds steering vectors to target specific SAE features while minimizing unintended side effects. We show that overall, SAE-TS balances steering effects with coherence better than CAA and SAE feature steering, when evaluated on a range of tasks.
Federated Graph Learning (FGL) aims to collaboratively and privately optimize graph models on divergent data for different tasks. A critical challenge in FGL is to enable effective yet efficient federated optimization against multifaceted graph heterogeneity to enhance mutual performance. However, existing FGL works primarily address graph data heterogeneity and perform incapable of graph task heterogeneity. To address the challenge, we propose a Federated Graph Prompt Learning (FedGPL) framework to efficiently enable prompt-based asymmetric graph knowledge transfer between multifaceted heterogeneous federated participants. Generally, we establish a split federated framework to preserve universal and domain-specific graph knowledge, respectively. Moreover, we develop two algorithms to eliminate task and data heterogeneity for advanced federated knowledge preservation. First, a Hierarchical Directed Transfer Aggregator (HiDTA) delivers cross-task beneficial knowledge that is hierarchically distilled according to the directional transferability. Second, a Virtual Prompt Graph (VPG) adaptively generates graph structures to enhance data utility by distinguishing dominant subgraphs and neutralizing redundant ones. We conduct theoretical analyses and extensive experiments to demonstrate the significant accuracy and efficiency effectiveness of FedGPL against multifaceted graph heterogeneity compared to state-of-the-art baselines on large-scale federated graph datasets.
Multimodal models leverage large-scale pre-training to achieve strong but still imperfect performance on tasks such as image captioning, visual question answering, and cross-modal retrieval. In this paper, we present a simple and efficient method for correcting errors in trained contrastive image-text retrieval models with no additional training, called Nearest Neighbor Normalization (NNN). We show an improvement on retrieval metrics in both text retrieval and image retrieval for all of the contrastive models that we tested (CLIP, BLIP, ALBEF, SigLIP, BEiT) and for both of the datasets that we used (MS-COCO and Flickr30k). NNN requires a reference database, but does not require any training on this database, and can even increase the retrieval accuracy of a model after finetuning.
We introduce the first continuous-time score-based generative model that leverages fractional diffusion processes for its underlying dynamics. Although diffusion models have excelled at capturing data distributions, they still suffer from various limitations such as slow convergence, mode-collapse on imbalanced data, and lack of diversity. These issues are partially linked to the use of light-tailed Brownian motion (BM) with independent increments. In this paper, we replace BM with an approximation of its non-Markovian counterpart, fractional Brownian motion (fBM), characterized by correlated increments and Hurst index $H \in (0,1)$, where $H=0.5$ recovers the classical BM. To ensure tractable inference and learning, we employ a recently popularized Markov approximation of fBM (MA-fBM) and derive its reverse-time model, resulting in generative fractional diffusion models (GFDM). We characterize the forward dynamics using a continuous reparameterization trick and propose augmented score matching to efficiently learn the score function, which is partly known in closed form, at minimal added cost. The ability to drive our diffusion model via MA-fBM offers flexibility and control. $H \leq 0.5$ enters the regime of rough paths whereas $H>0.5$ regularizes diffusion paths and invokes long-term memory. The Markov approximation allows added control by varying the number of Markov processes linearly combined to approximate fBM. Our evaluations on real image datasets demonstrate that GFDM achieves greater pixel-wise diversity and enhanced image quality, as indicated by a lower FID, offering a promising alternative to traditional diffusion models
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.
Knowledge graph (KG) embedding encodes the entities and relations from a KG into low-dimensional vector spaces to support various applications such as KG completion, question answering, and recommender systems. In real world, knowledge graphs (KGs) are dynamic and evolve over time with addition or deletion of triples. However, most existing models focus on embedding static KGs while neglecting dynamics. To adapt to the changes in a KG, these models need to be re-trained on the whole KG with a high time cost. In this paper, to tackle the aforementioned problem, we propose a new context-aware Dynamic Knowledge Graph Embedding (DKGE) method which supports the embedding learning in an online fashion. DKGE introduces two different representations (i.e., knowledge embedding and contextual element embedding) for each entity and each relation, in the joint modeling of entities and relations as well as their contexts, by employing two attentive graph convolutional networks, a gate strategy, and translation operations. This effectively helps limit the impacts of a KG update in certain regions, not in the entire graph, so that DKGE can rapidly acquire the updated KG embedding by a proposed online learning algorithm. Furthermore, DKGE can also learn KG embedding from scratch. Experiments on the tasks of link prediction and question answering in a dynamic environment demonstrate the effectiveness and efficiency of DKGE.
This paper is an attempt to explain all the matrix calculus you need in order to understand the training of deep neural networks. We assume no math knowledge beyond what you learned in calculus 1, and provide links to help you refresh the necessary math where needed. Note that you do not need to understand this material before you start learning to train and use deep learning in practice; rather, this material is for those who are already familiar with the basics of neural networks, and wish to deepen their understanding of the underlying math. Don't worry if you get stuck at some point along the way---just go back and reread the previous section, and try writing down and working through some examples. And if you're still stuck, we're happy to answer your questions in the Theory category at forums.fast.ai. Note: There is a reference section at the end of the paper summarizing all the key matrix calculus rules and terminology discussed here. See related articles at //explained.ai
The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.