Daily Papers

In this work, we present a method to generate a configurational level fingerprint for polymers using the Bead-Spring-Model. Unlike some of the previous fingerprinting approaches that employ monomer-level information where atomistic descriptors are computed using quantum chemistry calculations, this approach incorporates configurational information from a coarse-grained model of a long polymer chain. The proposed approach may be advantageous for the study of behavior resulting from large molecular weights. To create this fingerprint, we make use of two kinds of descriptors. First, we calculate certain geometric descriptors like Re2, Rg2 etc. and label them as Calculated Descriptors. Second, we generate a set of data-driven descriptors using an unsupervised autoencoder model and call them Learnt Descriptors. Using a combination of both of them, we are able to learn mappings from the structure to various properties of the polymer chain by training ML models. We test our fingerprint to predict the probability of occurrence of a configuration at equilibrium, which is approximated by a simple linear relationship between the instantaneous internal energy and equilibrium average internal energy.

Recent studies have shown that autoencoder-based models can achieve superior performance on anomaly detection tasks due to their excellent ability to fit complex data in an unsupervised manner. In this work, we propose a novel autoencoder-based model, named StackVAE-G that can significantly bring the efficiency and interpretability to multivariate time series anomaly detection. Specifically, we utilize the similarities across the time series channels by the stacking block-wise reconstruction with a weight-sharing scheme to reduce the size of learned models and also relieve the overfitting to unknown noises in the training data. We also leverage a graph learning module to learn a sparse adjacency matrix to explicitly capture the stable interrelation structure among multiple time series channels for the interpretable pattern reconstruction of interrelated channels. Combining these two modules, we introduce the stacking block-wise VAE (variational autoencoder) with GNN (graph neural network) model for multivariate time series anomaly detection. We conduct extensive experiments on three commonly used public datasets, showing that our model achieves comparable (even better) performance with the state-of-the-art modelsand meanwhile requires much less computation and memory cost. Furthermore, we demonstrate that the adjacency matrix learned by our model accurately captures the interrelation among multiple channels, and can provide valuable information for failure diagnosis applications.

Neural sequence-to-sequence models are currently the dominant approach in several natural language processing tasks, but require large parallel corpora. We present a sequence-to-sequence-to-sequence autoencoder (SEQ^3), consisting of two chained encoder-decoder pairs, with words used as a sequence of discrete latent variables. We apply the proposed model to unsupervised abstractive sentence compression, where the first and last sequences are the input and reconstructed sentences, respectively, while the middle sequence is the compressed sentence. Constraining the length of the latent word sequences forces the model to distill important information from the input. A pretrained language model, acting as a prior over the latent sequences, encourages the compressed sentences to be human-readable. Continuous relaxations enable us to sample from categorical distributions, allowing gradient-based optimization, unlike alternatives that rely on reinforcement learning. The proposed model does not require parallel text-summary pairs, achieving promising results in unsupervised sentence compression on benchmark datasets.

In this work, we update the unsupervised machine learning (UML) step by proposing an algorithm based on ConvNeXt large model coding to improve the efficiency of unlabeled galaxy morphology classifications. The method can be summarized into three key aspects as follows: (1) a convolutional autoencoder is used for image denoising and reconstruction and the rotational invariance of the model is improved by polar coordinate extension; (2) utilizing a pre-trained convolutional neural network (CNN) named ConvNeXt for encoding the image data. The features were further compressed via a principal component analysis (PCA) dimensionality reduction; (3) adopting a bagging-based multi-model voting classification algorithm to enhance robustness. We applied this model to I-band images of a galaxy sample with I_{rm mag}< 25 in the COSMOS field. Compared to the original unsupervised method, the number of clustering groups required by the new method is reduced from 100 to 20. Finally, we managed to classify about 53\% galaxies, significantly improving the classification efficiency. To verify the validity of the morphological classification, we selected massive galaxies with M(*)>10^{10}(M(sun)) for morphological parameter tests. The corresponding rules between the classification results and the physical properties of galaxies on multiple parameter surfaces are consistent with the existing evolution model. Our method has demonstrated the feasibility of using large model encoding to classify galaxy morphology, which not only improves the efficiency of galaxy morphology classification, but also saves time and manpower. Furthermore, in comparison to the original UML model, the enhanced classification performance is more evident in qualitative analysis and has successfully surpassed a greater number of parameter tests.

Expert interpretation of anatomical images of the human brain is the central part of neuro-radiology. Several machine learning-based techniques have been proposed to assist in the analysis process. However, the ML models typically need to be trained to perform a specific task, e.g., brain tumour segmentation or classification. Not only do the corresponding training data require laborious manual annotations, but a wide variety of abnormalities can be present in a human brain MRI - even more than one simultaneously, which renders representation of all possible anomalies very challenging. Hence, a possible solution is an unsupervised anomaly detection (UAD) system that can learn a data distribution from an unlabelled dataset of healthy subjects and then be applied to detect out of distribution samples. Such a technique can then be used to detect anomalies - lesions or abnormalities, for example, brain tumours, without explicitly training the model for that specific pathology. Several Variational Autoencoder (VAE) based techniques have been proposed in the past for this task. Even though they perform very well on controlled artificially simulated anomalies, many of them perform poorly while detecting anomalies in clinical data. This research proposes a compact version of the "context-encoding" VAE (ceVAE) model, combined with pre and post-processing steps, creating a UAD pipeline (StRegA), which is more robust on clinical data, and shows its applicability in detecting anomalies such as tumours in brain MRIs. The proposed pipeline achieved a Dice score of 0.642pm0.101 while detecting tumours in T2w images of the BraTS dataset and 0.859pm0.112 while detecting artificially induced anomalies, while the best performing baseline achieved 0.522pm0.135 and 0.783pm0.111, respectively.

Unsupervised anomaly detection (UAD) aims to find anomalous images by optimising a detector using a training set that contains only normal images. UAD approaches can be based on reconstruction methods, self-supervised approaches, and Imagenet pre-trained models. Reconstruction methods, which detect anomalies from image reconstruction errors, are advantageous because they do not rely on the design of problem-specific pretext tasks needed by self-supervised approaches, and on the unreliable translation of models pre-trained from non-medical datasets. However, reconstruction methods may fail because they can have low reconstruction errors even for anomalous images. In this paper, we introduce a new reconstruction-based UAD approach that addresses this low-reconstruction error issue for anomalous images. Our UAD approach, the memory-augmented multi-level cross-attentional masked autoencoder (MemMC-MAE), is a transformer-based approach, consisting of a novel memory-augmented self-attention operator for the encoder and a new multi-level cross-attention operator for the decoder. MemMCMAE masks large parts of the input image during its reconstruction, reducing the risk that it will produce low reconstruction errors because anomalies are likely to be masked and cannot be reconstructed. However, when the anomaly is not masked, then the normal patterns stored in the encoder's memory combined with the decoder's multi-level cross attention will constrain the accurate reconstruction of the anomaly. We show that our method achieves SOTA anomaly detection and localisation on colonoscopy, pneumonia, and covid-19 chest x-ray datasets.

Anomaly detection in medical images is an important yet challenging task due to the diversity of possible anomalies and the practical impossibility of collecting comprehensively annotated data sets. In this work, we tackle unsupervised medical anomaly detection proposing a modernized autoencoder-based framework, the Q-Former Autoencoder, that leverages state-of-the-art pretrained vision foundation models, such as DINO, DINOv2 and Masked Autoencoder. Instead of training encoders from scratch, we directly utilize frozen vision foundation models as feature extractors, enabling rich, multi-stage, high-level representations without domain-specific fine-tuning. We propose the usage of the Q-Former architecture as the bottleneck, which enables the control of the length of the reconstruction sequence, while efficiently aggregating multiscale features. Additionally, we incorporate a perceptual loss computed using features from a pretrained Masked Autoencoder, guiding the reconstruction towards semantically meaningful structures. Our framework is evaluated on four diverse medical anomaly detection benchmarks, achieving state-of-the-art results on BraTS2021, RESC, and RSNA. Our results highlight the potential of vision foundation model encoders, pretrained on natural images, to generalize effectively to medical image analysis tasks without further fine-tuning. We release the code and models at https://github.com/emirhanbayar/QFAE.

We develop a novel method for carrying out model selection for Bayesian autoencoders (BAEs) by means of prior hyper-parameter optimization. Inspired by the common practice of type-II maximum likelihood optimization and its equivalence to Kullback-Leibler divergence minimization, we propose to optimize the distributional sliced-Wasserstein distance (DSWD) between the output of the autoencoder and the empirical data distribution. The advantages of this formulation are that we can estimate the DSWD based on samples and handle high-dimensional problems. We carry out posterior estimation of the BAE parameters via stochastic gradient Hamiltonian Monte Carlo and turn our BAE into a generative model by fitting a flexible Dirichlet mixture model in the latent space. Consequently, we obtain a powerful alternative to variational autoencoders, which are the preferred choice in modern applications of autoencoders for representation learning with uncertainty. We evaluate our approach qualitatively and quantitatively using a vast experimental campaign on a number of unsupervised learning tasks and show that, in small-data regimes where priors matter, our approach provides state-of-the-art results, outperforming multiple competitive baselines.

Diffusion models trained with mean squared error loss tend to generate unrealistic samples. Current state-of-the-art models rely on classifier-free guidance to improve sample quality, yet its surprising effectiveness is not fully understood. In this paper, We show that the effectiveness of classifier-free guidance partly originates from it being a form of implicit perceptual guidance. As a result, we can directly incorporate perceptual loss in diffusion training to improve sample quality. Since the score matching objective used in diffusion training strongly resembles the denoising autoencoder objective used in unsupervised training of perceptual networks, the diffusion model itself is a perceptual network and can be used to generate meaningful perceptual loss. We propose a novel self-perceptual objective that results in diffusion models capable of generating more realistic samples. For conditional generation, our method only improves sample quality without entanglement with the conditional input and therefore does not sacrifice sample diversity. Our method can also improve sample quality for unconditional generation, which was not possible with classifier-free guidance before.

Unsupervised sentence embeddings task aims to convert sentences to semantic vector representations. Most previous works directly use the sentence representations derived from pretrained language models. However, due to the token bias in pretrained language models, the models can not capture the fine-grained semantics in sentences, which leads to poor predictions. To address this issue, we propose a novel Self-Adaptive Reconstruction Contrastive Sentence Embeddings (SARCSE) framework, which reconstructs all tokens in sentences with an AutoEncoder to help the model to preserve more fine-grained semantics during tokens aggregating. In addition, we proposed a self-adaptive reconstruction loss to alleviate the token bias towards frequency. Experimental results show that SARCSE gains significant improvements compared with the strong baseline SimCSE on the 7 STS tasks.

In this paper, a novel self-supervised learning (SSL) method is proposed, which learns not only representations but also representations uncertainties by considering SSL in terms of variational inference. SSL is a method of learning representation without labels by maximizing the similarity between image representations of different augmented views of the same image. Variational autoencoder (VAE) is an unsupervised representation learning method that trains a probabilistic generative model with variational inference. VAE and SSL can learn representations without labels, but the relationship between VAE and SSL has not been revealed. In this paper, the theoretical relationship between SSL and variational inference is clarified. In addition, variational inference SimSiam (VI-SimSiam) is proposed, which can predict the representation uncertainty by interpreting SimSiam with variational inference and defining the latent space distribution. The experiment qualitatively showed that VISimSiam could learn uncertainty by comparing input images and predicted uncertainties. We also revealed a relationship between estimated uncertainty and classification accuracy.

The variational autoencoder (VAE) framework is a popular option for training unsupervised generative models, featuring ease of training and latent representation of data. The objective function of VAE does not guarantee to achieve the latter, however, and failure to do so leads to a frequent failure mode called posterior collapse. Even in successful cases, VAEs often result in low-precision reconstructions and generated samples. The introduction of the KL-divergence weight beta can help steer the model clear of posterior collapse, but its tuning is often a trial-and-error process with no guiding metrics. Here we test the idea of using the total VAE loss of generated samples (generated loss) as the proxy metric for generation quality, the related hypothesis that VAE reconstruction from the mean latent vector tends to be a more typical example of its class than the original, and the idea of exploiting this property by augmenting training data with generated variants (augmented training). The results are mixed, but repeated encoding and decoding indeed result in qualitatively and quantitatively more typical examples from both convolutional and fully-connected MNIST VAEs, suggesting that it may be an inherent property of the VAE framework.

The variational autoencoder (VAE) framework remains a popular option for training unsupervised generative models, especially for discrete data where generative adversarial networks (GANs) require workaround to create gradient for the generator. In our work modeling US postal addresses, we show that our discrete VAE with tree recursive architecture demonstrates limited capability of capturing field correlations within structured data, even after overcoming the challenge of posterior collapse with scheduled sampling and tuning of the KL-divergence weight beta. Worse, VAE seems to have difficulty mapping its generated samples to the latent space, as their VAE loss lags behind or even increases during the training process. Motivated by this observation, we show that augmenting training data with generated variants (augmented training) and training a VAE with multiple values of beta simultaneously (multiscale VAE) both improve the generation quality of VAE. Despite their differences in motivation and emphasis, we show that augmented training and multiscale VAE are actually connected and have similar effects on the model.

Masked image modelling (e.g., Masked AutoEncoder) and contrastive learning (e.g., Momentum Contrast) have shown impressive performance on unsupervised visual representation learning. This work presents Masked Contrastive Representation Learning (MACRL) for self-supervised visual pre-training. In particular, MACRL leverages the effectiveness of both masked image modelling and contrastive learning. We adopt an asymmetric setting for the siamese network (i.e., encoder-decoder structure in both branches), where one branch with higher mask ratio and stronger data augmentation, while the other adopts weaker data corruptions. We optimize a contrastive learning objective based on the learned features from the encoder in both branches. Furthermore, we minimize the L_1 reconstruction loss according to the decoders' outputs. In our experiments, MACRL presents superior results on various vision benchmarks, including CIFAR-10, CIFAR-100, Tiny-ImageNet, and two other ImageNet subsets. Our framework provides unified insights on self-supervised visual pre-training and future research.

Supervised machine learning methods for geological mapping via remote sensing face limitations due to the scarcity of accurately labelled training data that can be addressed by unsupervised learning, such as dimensionality reduction and clustering. Dimensionality reduction methods have the potential to play a crucial role in improving the accuracy of geological maps. Although conventional dimensionality reduction methods may struggle with nonlinear data, unsupervised deep learning models such as autoencoders can model non-linear relationships. Stacked autoencoders feature multiple interconnected layers to capture hierarchical data representations useful for remote sensing data. We present an unsupervised machine learning-based framework for processing remote sensing data using stacked autoencoders for dimensionality reduction and k-means clustering for mapping geological units. We use Landsat 8, ASTER, and Sentinel-2 datasets to evaluate the framework for geological mapping of the Mutawintji region in Western New South Wales, Australia. We also compare stacked autoencoders with principal component analysis (PCA) and canonical autoencoders. Our results reveal that the framework produces accurate and interpretable geological maps, efficiently discriminating rock units. The results reveal that the combination of stacked autoencoders with Sentinel-2 data yields the best performance accuracy when compared to other combinations. We find that stacked autoencoders enable better extraction of complex and hierarchical representations of the input data when compared to canonical autoencoders and PCA. We also find that the generated maps align with prior geological knowledge of the study area while providing novel insights into geological structures.

Sparse autoencoders (SAEs) are a popular technique for interpreting language model activations, and there is extensive recent work on improving SAE effectiveness. However, most prior work evaluates progress using unsupervised proxy metrics with unclear practical relevance. We introduce SAEBench, a comprehensive evaluation suite that measures SAE performance across seven diverse metrics, spanning interpretability, feature disentanglement and practical applications like unlearning. To enable systematic comparison, we open-source a suite of over 200 SAEs across eight recently proposed SAE architectures and training algorithms. Our evaluation reveals that gains on proxy metrics do not reliably translate to better practical performance. For instance, while Matryoshka SAEs slightly underperform on existing proxy metrics, they substantially outperform other architectures on feature disentanglement metrics; moreover, this advantage grows with SAE scale. By providing a standardized framework for measuring progress in SAE development, SAEBench enables researchers to study scaling trends and make nuanced comparisons between different SAE architectures and training methodologies. Our interactive interface enables researchers to flexibly visualize relationships between metrics across hundreds of open-source SAEs at: https://saebench.xyz

Recent advances in depthwise-separable convolutional neural networks (DS-CNNs) have led to novel architectures, that surpass the performance of classical CNNs, by a considerable scalability and accuracy margin. This paper reveals another striking property of DS-CNN architectures: discernible and explainable patterns emerge in their trained depthwise convolutional kernels in all layers. Through an extensive analysis of millions of trained filters, with different sizes and from various models, we employed unsupervised clustering with autoencoders, to categorize these filters. Astonishingly, the patterns converged into a few main clusters, each resembling the difference of Gaussian (DoG) functions, and their first and second-order derivatives. Notably, we were able to classify over 95\% and 90\% of the filters from state-of-the-art ConvNextV2 and ConvNeXt models, respectively. This finding is not merely a technological curiosity; it echoes the foundational models neuroscientists have long proposed for the vision systems of mammals. Our results thus deepen our understanding of the emergent properties of trained DS-CNNs and provide a bridge between artificial and biological visual processing systems. More broadly, they pave the way for more interpretable and biologically-inspired neural network designs in the future.

Sparse Autoencoders (SAEs) have recently been shown to enhance interpretability and steerability in Large Language Models (LLMs). In this work, we extend the application of SAEs to Vision-Language Models (VLMs), such as CLIP, and introduce a comprehensive framework for evaluating monosemanticity in vision representations. Our experimental results reveal that SAEs trained on VLMs significantly enhance the monosemanticity of individual neurons while also exhibiting hierarchical representations that align well with expert-defined structures (e.g., iNaturalist taxonomy). Most notably, we demonstrate that applying SAEs to intervene on a CLIP vision encoder, directly steer output from multimodal LLMs (e.g., LLaVA) without any modifications to the underlying model. These findings emphasize the practicality and efficacy of SAEs as an unsupervised approach for enhancing both the interpretability and control of VLMs.

This study presents Latent Diffusion Autoencoder (LDAE), a novel encoder-decoder diffusion-based framework for efficient and meaningful unsupervised learning in medical imaging, focusing on Alzheimer disease (AD) using brain MR from the ADNI database as a case study. Unlike conventional diffusion autoencoders operating in image space, LDAE applies the diffusion process in a compressed latent representation, improving computational efficiency and making 3D medical imaging representation learning tractable. To validate the proposed approach, we explore two key hypotheses: (i) LDAE effectively captures meaningful semantic representations on 3D brain MR associated with AD and ageing, and (ii) LDAE achieves high-quality image generation and reconstruction while being computationally efficient. Experimental results support both hypotheses: (i) linear-probe evaluations demonstrate promising diagnostic performance for AD (ROC-AUC: 90%, ACC: 84%) and age prediction (MAE: 4.1 years, RMSE: 5.2 years); (ii) the learned semantic representations enable attribute manipulation, yielding anatomically plausible modifications; (iii) semantic interpolation experiments show strong reconstruction of missing scans, with SSIM of 0.969 (MSE: 0.0019) for a 6-month gap. Even for longer gaps (24 months), the model maintains robust performance (SSIM > 0.93, MSE < 0.004), indicating an ability to capture temporal progression trends; (iv) compared to conventional diffusion autoencoders, LDAE significantly increases inference throughput (20x faster) while also enhancing reconstruction quality. These findings position LDAE as a promising framework for scalable medical imaging applications, with the potential to serve as a foundation model for medical image analysis. Code available at https://github.com/GabrieleLozupone/LDAE

One of the roadblocks to a better understanding of neural networks' internals is polysemanticity, where neurons appear to activate in multiple, semantically distinct contexts. Polysemanticity prevents us from identifying concise, human-understandable explanations for what neural networks are doing internally. One hypothesised cause of polysemanticity is superposition, where neural networks represent more features than they have neurons by assigning features to an overcomplete set of directions in activation space, rather than to individual neurons. Here, we attempt to identify those directions, using sparse autoencoders to reconstruct the internal activations of a language model. These autoencoders learn sets of sparsely activating features that are more interpretable and monosemantic than directions identified by alternative approaches, where interpretability is measured by automated methods. Ablating these features enables precise model editing, for example, by removing capabilities such as pronoun prediction, while disrupting model behaviour less than prior techniques. This work indicates that it is possible to resolve superposition in language models using a scalable, unsupervised method. Our method may serve as a foundation for future mechanistic interpretability work, which we hope will enable greater model transparency and steerability.

Sparse AutoEnocders (SAEs) have recently been employed as an unsupervised approach for understanding the inner workings of Large Language Models (LLMs). They reconstruct the model's activations with a sparse linear combination of interpretable features. However, training SAEs is computationally intensive, especially as models grow in size and complexity. To address this challenge, we propose a novel training strategy that reduces the number of trained SAEs from one per layer to one for a given group of contiguous layers. Our experimental results on Pythia 160M highlight a speedup of up to 6x without compromising the reconstruction quality and performance on downstream tasks. Therefore, layer clustering presents an efficient approach to train SAEs in modern LLMs.

Recently, conditional score-based diffusion models have gained significant attention in the field of supervised speech enhancement, yielding state-of-the-art performance. However, these methods may face challenges when generalising to unseen conditions. To address this issue, we introduce an alternative approach that operates in an unsupervised manner, leveraging the generative power of diffusion models. Specifically, in a training phase, a clean speech prior distribution is learnt in the short-time Fourier transform (STFT) domain using score-based diffusion models, allowing it to unconditionally generate clean speech from Gaussian noise. Then, we develop a posterior sampling methodology for speech enhancement by combining the learnt clean speech prior with a noise model for speech signal inference. The noise parameters are simultaneously learnt along with clean speech estimation through an iterative expectationmaximisation (EM) approach. To the best of our knowledge, this is the first work exploring diffusion-based generative models for unsupervised speech enhancement, demonstrating promising results compared to a recent variational auto-encoder (VAE)-based unsupervised approach and a state-of-the-art diffusion-based supervised method. It thus opens a new direction for future research in unsupervised speech enhancement.

Diffusion models, while powerful, can inadvertently generate harmful or undesirable content, raising significant ethical and safety concerns. Recent machine unlearning approaches offer potential solutions but often lack transparency, making it difficult to understand the changes they introduce to the base model. In this work, we introduce SAeUron, a novel method leveraging features learned by sparse autoencoders (SAEs) to remove unwanted concepts in text-to-image diffusion models. First, we demonstrate that SAEs, trained in an unsupervised manner on activations from multiple denoising timesteps of the diffusion model, capture sparse and interpretable features corresponding to specific concepts. Building on this, we propose a feature selection method that enables precise interventions on model activations to block targeted content while preserving overall performance. Evaluation with the competitive UnlearnCanvas benchmark on object and style unlearning highlights SAeUron's state-of-the-art performance. Moreover, we show that with a single SAE, we can remove multiple concepts simultaneously and that in contrast to other methods, SAeUron mitigates the possibility of generating unwanted content, even under adversarial attack. Code and checkpoints are available at: https://github.com/cywinski/SAeUron.

Learning sentence embeddings often requires a large amount of labeled data. However, for most tasks and domains, labeled data is seldom available and creating it is expensive. In this work, we present a new state-of-the-art unsupervised method based on pre-trained Transformers and Sequential Denoising Auto-Encoder (TSDAE) which outperforms previous approaches by up to 6.4 points. It can achieve up to 93.1% of the performance of in-domain supervised approaches. Further, we show that TSDAE is a strong domain adaptation and pre-training method for sentence embeddings, significantly outperforming other approaches like Masked Language Model. A crucial shortcoming of previous studies is the narrow evaluation: Most work mainly evaluates on the single task of Semantic Textual Similarity (STS), which does not require any domain knowledge. It is unclear if these proposed methods generalize to other domains and tasks. We fill this gap and evaluate TSDAE and other recent approaches on four different datasets from heterogeneous domains.

This paper presents Non-Attentive Tacotron based on the Tacotron 2 text-to-speech model, replacing the attention mechanism with an explicit duration predictor. This improves robustness significantly as measured by unaligned duration ratio and word deletion rate, two metrics introduced in this paper for large-scale robustness evaluation using a pre-trained speech recognition model. With the use of Gaussian upsampling, Non-Attentive Tacotron achieves a 5-scale mean opinion score for naturalness of 4.41, slightly outperforming Tacotron 2. The duration predictor enables both utterance-wide and per-phoneme control of duration at inference time. When accurate target durations are scarce or unavailable in the training data, we propose a method using a fine-grained variational auto-encoder to train the duration predictor in a semi-supervised or unsupervised manner, with results almost as good as supervised training.

Sparse autoencoders provide a promising unsupervised approach for extracting interpretable features from a language model by reconstructing activations from a sparse bottleneck layer. Since language models learn many concepts, autoencoders need to be very large to recover all relevant features. However, studying the properties of autoencoder scaling is difficult due to the need to balance reconstruction and sparsity objectives and the presence of dead latents. We propose using k-sparse autoencoders [Makhzani and Frey, 2013] to directly control sparsity, simplifying tuning and improving the reconstruction-sparsity frontier. Additionally, we find modifications that result in few dead latents, even at the largest scales we tried. Using these techniques, we find clean scaling laws with respect to autoencoder size and sparsity. We also introduce several new metrics for evaluating feature quality based on the recovery of hypothesized features, the explainability of activation patterns, and the sparsity of downstream effects. These metrics all generally improve with autoencoder size. To demonstrate the scalability of our approach, we train a 16 million latent autoencoder on GPT-4 activations for 40 billion tokens. We release training code and autoencoders for open-source models, as well as a visualizer.

Sparse autoencoders (SAEs) are a promising unsupervised approach for identifying causally relevant and interpretable linear features in a language model's (LM) activations. To be useful for downstream tasks, SAEs need to decompose LM activations faithfully; yet to be interpretable the decomposition must be sparse -- two objectives that are in tension. In this paper, we introduce JumpReLU SAEs, which achieve state-of-the-art reconstruction fidelity at a given sparsity level on Gemma 2 9B activations, compared to other recent advances such as Gated and TopK SAEs. We also show that this improvement does not come at the cost of interpretability through manual and automated interpretability studies. JumpReLU SAEs are a simple modification of vanilla (ReLU) SAEs -- where we replace the ReLU with a discontinuous JumpReLU activation function -- and are similarly efficient to train and run. By utilising straight-through-estimators (STEs) in a principled manner, we show how it is possible to train JumpReLU SAEs effectively despite the discontinuous JumpReLU function introduced in the SAE's forward pass. Similarly, we use STEs to directly train L0 to be sparse, instead of training on proxies such as L1, avoiding problems like shrinkage.

Sparse Autoencoders (SAEs) have emerged as a powerful framework for machine learning interpretability, enabling the unsupervised decomposition of model representations into a dictionary of abstract, human-interpretable concepts. However, we reveal a fundamental limitation: existing SAEs exhibit severe instability, as identical models trained on similar datasets can produce sharply different dictionaries, undermining their reliability as an interpretability tool. To address this issue, we draw inspiration from the Archetypal Analysis framework introduced by Cutler & Breiman (1994) and present Archetypal SAEs (A-SAE), wherein dictionary atoms are constrained to the convex hull of data. This geometric anchoring significantly enhances the stability of inferred dictionaries, and their mildly relaxed variants RA-SAEs further match state-of-the-art reconstruction abilities. To rigorously assess dictionary quality learned by SAEs, we introduce two new benchmarks that test (i) plausibility, if dictionaries recover "true" classification directions and (ii) identifiability, if dictionaries disentangle synthetic concept mixtures. Across all evaluations, RA-SAEs consistently yield more structured representations while uncovering novel, semantically meaningful concepts in large-scale vision models.

Sparse Autoencoders (SAEs) have emerged as a powerful unsupervised method for extracting sparse representations from language models, yet scalable training remains a significant challenge. We introduce a suite of 256 SAEs, trained on each layer and sublayer of the Llama-3.1-8B-Base model, with 32K and 128K features. Modifications to a state-of-the-art SAE variant, Top-K SAEs, are evaluated across multiple dimensions. In particular, we assess the generalizability of SAEs trained on base models to longer contexts and fine-tuned models. Additionally, we analyze the geometry of learned SAE latents, confirming that feature splitting enables the discovery of new features. The Llama Scope SAE checkpoints are publicly available at~https://huggingface.co/fnlp/Llama-Scope, alongside our scalable training, interpretation, and visualization tools at https://github.com/OpenMOSS/Language-Model-SAEs. These contributions aim to advance the open-source Sparse Autoencoder ecosystem and support mechanistic interpretability research by reducing the need for redundant SAE training.

Recently, various studies have been directed towards exploring dense passage retrieval techniques employing pre-trained language models, among which the masked auto-encoder (MAE) pre-training architecture has emerged as the most promising. The conventional MAE framework relies on leveraging the passage reconstruction of decoder to bolster the text representation ability of encoder, thereby enhancing the performance of resulting dense retrieval systems. Within the context of building the representation ability of the encoder through passage reconstruction of decoder, it is reasonable to postulate that a ``more demanding'' decoder will necessitate a corresponding increase in the encoder's ability. To this end, we propose a novel token importance aware masking strategy based on pointwise mutual information to intensify the challenge of the decoder. Importantly, our approach can be implemented in an unsupervised manner, without adding additional expenses to the pre-training phase. Our experiments verify that the proposed method is both effective and robust on large-scale supervised passage retrieval datasets and out-of-domain zero-shot retrieval benchmarks.

The virtual world is being established in which digital humans are created indistinguishable from real humans. Producing their audio-related capabilities is crucial since voice conveys extensive personal characteristics. We aim to create a controllable audio-form virtual singer; however, supervised modeling and controlling all different factors of the singing voice, such as timbre, tempo, pitch, and lyrics, is extremely difficult since accurately labeling all such information needs enormous labor work. In this paper, we propose a framework that could digitize a person's voice by simply "listening" to the clean voice recordings of any content in a fully unsupervised manner and predict singing voices even only using speaking recordings. A variational auto-encoder (VAE) based framework is developed, which leverages a set of pre-trained models to encode the audio as various hidden embeddings representing different factors of the singing voice, and further decodes the embeddings into raw audio. By manipulating the hidden embeddings for different factors, the resulting singing voices can be controlled, and new virtual singers can also be further generated by interpolating between timbres. Evaluations of different types of experiments demonstrate the proposed method's effectiveness. The proposed method is the critical technique for producing the AI choir, which empowered the human-AI symbiotic orchestra in Hong Kong in July 2022.

The Distributional Principal Autoencoder (DPA) combines distributionally correct reconstruction with principal-component-like interpretability of the encodings. In this work, we provide exact theoretical guarantees on both fronts. First, we derive a closed-form relation linking each optimal level-set geometry to the data-distribution score. This result explains DPA's empirical ability to disentangle factors of variation of the data, as well as allows the score to be recovered directly from samples. When the data follows the Boltzmann distribution, we demonstrate that this relation yields an approximation of the minimum free-energy path for the Mueller-Brown potential in a single fit. Second, we prove that if the data lies on a manifold that can be approximated by the encoder, latent components beyond the manifold dimension are conditionally independent of the data distribution - carrying no additional information - and thus reveal the intrinsic dimension. Together, these results show that a single model can learn the data distribution and its intrinsic dimension with exact guarantees simultaneously, unifying two longstanding goals of unsupervised learning.

Conditional image-to-video (cI2V) generation aims to synthesize a new plausible video starting from an image (e.g., a person's face) and a condition (e.g., an action class label like smile). The key challenge of the cI2V task lies in the simultaneous generation of realistic spatial appearance and temporal dynamics corresponding to the given image and condition. In this paper, we propose an approach for cI2V using novel latent flow diffusion models (LFDM) that synthesize an optical flow sequence in the latent space based on the given condition to warp the given image. Compared to previous direct-synthesis-based works, our proposed LFDM can better synthesize spatial details and temporal motion by fully utilizing the spatial content of the given image and warping it in the latent space according to the generated temporally-coherent flow. The training of LFDM consists of two separate stages: (1) an unsupervised learning stage to train a latent flow auto-encoder for spatial content generation, including a flow predictor to estimate latent flow between pairs of video frames, and (2) a conditional learning stage to train a 3D-UNet-based diffusion model (DM) for temporal latent flow generation. Unlike previous DMs operating in pixel space or latent feature space that couples spatial and temporal information, the DM in our LFDM only needs to learn a low-dimensional latent flow space for motion generation, thus being more computationally efficient. We conduct comprehensive experiments on multiple datasets, where LFDM consistently outperforms prior arts. Furthermore, we show that LFDM can be easily adapted to new domains by simply finetuning the image decoder. Our code is available at https://github.com/nihaomiao/CVPR23_LFDM.

Sparse Autoencoders (SAEs) have been proposed as an unsupervised approach to learn a decomposition of a model's latent space. This enables useful applications such as steering - influencing the output of a model towards a desired concept - without requiring labeled data. Current methods identify SAE features to steer by analyzing the input tokens that activate them. However, recent work has highlighted that activations alone do not fully describe the effect of a feature on the model's output. In this work, we draw a distinction between two types of features: input features, which mainly capture patterns in the model's input, and output features, which have a human-understandable effect on the model's output. We propose input and output scores to characterize and locate these types of features, and show that high values for both scores rarely co-occur in the same features. These findings have practical implications: after filtering out features with low output scores, we obtain 2-3x improvements when steering with SAEs, making them competitive with supervised methods.

Natural Language Generation (NLG) accepts input data in the form of images, videos, or text and generates corresponding natural language text as output. Existing NLG methods mainly adopt a supervised approach and rely heavily on coupled data-to-text pairs. However, for many targeted scenarios and for non-English languages, sufficient quantities of labeled data are often not available. To relax the dependency on labeled data of downstream tasks, we propose an intuitive and effective zero-shot learning framework, ZeroNLG, which can deal with multiple NLG tasks, including image-to-text (image captioning), video-to-text (video captioning), and text-to-text (neural machine translation), across English, Chinese, German, and French within a unified framework. ZeroNLG does not require any labeled downstream pairs for training. During training, ZeroNLG (i) projects different domains (across modalities and languages) to corresponding coordinates in a shared common latent space; (ii) bridges different domains by aligning their corresponding coordinates in this space; and (iii) builds an unsupervised multilingual auto-encoder to learn to generate text by reconstructing the input text given its coordinate in shared latent space. Consequently, during inference, based on the data-to-text pipeline, ZeroNLG can generate target sentences across different languages given the coordinate of input data in the common space. Within this unified framework, given visual (imaging or video) data as input, ZeroNLG can perform zero-shot visual captioning; given textual sentences as input, ZeroNLG can perform zero-shot machine translation. We present the results of extensive experiments on twelve NLG tasks, showing that, without using any labeled downstream pairs for training, ZeroNLG generates high-quality and believable outputs and significantly outperforms existing zero-shot methods.

Characterizing the relationship between neural population activity and behavioral data is a central goal of neuroscience. While latent variable models (LVMs) are successful in describing high-dimensional time-series data, they are typically only designed for a single type of data, making it difficult to identify structure shared across different experimental data modalities. Here, we address this shortcoming by proposing an unsupervised LVM which extracts temporally evolving shared and independent latents for distinct, simultaneously recorded experimental modalities. We do this by combining Gaussian Process Factor Analysis (GPFA), an interpretable LVM for neural spiking data with temporally smooth latent space, with Gaussian Process Variational Autoencoders (GP-VAEs), which similarly use a GP prior to characterize correlations in a latent space, but admit rich expressivity due to a deep neural network mapping to observations. We achieve interpretability in our model by partitioning latent variability into components that are either shared between or independent to each modality. We parameterize the latents of our model in the Fourier domain, and show improved latent identification using this approach over standard GP-VAE methods. We validate our model on simulated multi-modal data consisting of Poisson spike counts and MNIST images that scale and rotate smoothly over time. We show that the multi-modal GP-VAE (MM-GPVAE) is able to not only identify the shared and independent latent structure across modalities accurately, but provides good reconstructions of both images and neural rates on held-out trials. Finally, we demonstrate our framework on two real world multi-modal experimental settings: Drosophila whole-brain calcium imaging alongside tracked limb positions, and Manduca sexta spike train measurements from ten wing muscles as the animal tracks a visual stimulus.