A big convergence of language, multimodal perception, action, and world modeling is a key step toward artificial general intelligence. In this work, we introduce KOSMOS-1, a Multimodal Large Language Model (MLLM) that can perceive general modalities, learn in context (i.e., few-shot), and follow instructions (i.e., zero-shot). Specifically, we train KOSMOS-1 from scratch on web-scale multi-modal corpora, including arbitrarily interleaved text and images, image-caption pairs, and text data. We evaluate various settings, including zero-shot, few-shot, and multimodal chain-of-thought prompting, on a wide range of tasks without any gradient updates or finetuning. Experimental results show that KOSMOS-1 achieves impressive performance on (i) language understanding, generation, and even OCR-free NLP (directly fed with document images), (ii) perception-language tasks, including multimodal dialogue, image captioning, visual question answering, and (iii) vision tasks, such as image recognition with descriptions (specifying classification via text instructions). We also show that MLLMs can benefit from cross-modal transfer, i.e., transfer knowledge from language to multimodal, and from multimodal to language. In addition, we introduce a dataset of Raven IQ test, which diagnoses the nonverbal reasoning capability of MLLMs.
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Applications/Computer Vision
Text-to-image diffusion models have made significant advances in generating and editing high-quality images. As a result, numerous approaches have explored the ability of diffusion model features to understand and process single images for downstream tasks, e.g., classification, semantic segmentation, and stylization. However, significantly less is known about what these features reveal across multiple, different images and objects. In this work, we exploit Stable Diffusion (SD) features for semantic and dense correspondence and discover that with simple post-processing, SD features can perform quantitatively similar to SOTA representations. Interestingly, the qualitative analysis reveals that SD features have very different properties compared to existing representation learning features, such as the recently released DINOv2: while DINOv2 provides sparse but accurate matches, SD features provide high-quality spatial information but sometimes inaccurate semantic matches. We demonstrate that a simple fusion of these two features works surprisingly well, and a zero-shot evaluation using nearest neighbors on these fused features provides a significant performance gain over state-of-the-art methods on benchmark datasets, e.g., SPair-71k, PF-Pascal, and TSS. We also show that these correspondences can enable interesting applications such as instance swapping in two images. Project page: https://sd-complements-dino.github.io/.
Deep Learning/Graph Neural Networks
Homophily principle, i.e., nodes with the same labels are more likely to be connected, has been believed to be the main reason for the performance superiority of Graph Neural Networks (GNNs) over Neural Networks on node classification tasks. Recent research suggests that, even in the absence of homophily, the advantage of GNNs still exists as long as nodes from the same class share similar neighborhood patterns. However, this argument only considers intra-class Node Distinguishability (ND) but neglects inter-class ND, which provides incomplete understanding of homophily on GNNs. In this paper, we first demonstrate such deficiency with examples and argue that an ideal situation for ND is to have smaller intra-class ND than inter-class ND. To formulate this idea and study ND deeply, we propose Contextual Stochastic Block Model for Homophily (CSBM-H) and define two metrics, Probabilistic Bayes Error (PBE) and negative generalized Jeffreys divergence, to quantify ND. With the metrics, we visualize and analyze how graph filters, node degree distributions and class variances influence ND, and investigate the combined effect of intra- and inter-class ND. Besides, we discovered the mid-homophily pitfall, which occurs widely in graph datasets. Furthermore, we verified that, in real-work tasks, the superiority of GNNs is indeed closely related to both intra- and inter-class ND regardless of homophily levels. Grounded in this observation, we propose a new hypothesis-testing based performance metric beyond homophily, which is non-linear, feature-based and can provide statistical threshold value for GNNs' the superiority. Experiments indicate that it is significantly more effective than the existing homophily metrics on revealing the advantage and disadvantage of graph-aware modes on both synthetic and benchmark real-world datasets.
Deep Learning/Other Representation Learning
Despite the growing use of transformer models in computer vision, a mechanistic understanding of these networks is still needed. This work introduces a method to reverse-engineer Vision Transformers trained to solve image classification tasks. Inspired by previous research in NLP, we demonstrate how the inner representations at any level of the hierarchy can be projected onto the learned class embedding space to uncover how these networks build categorical representations for their predictions. We use our framework to show how image tokens develop class-specific representations that depend on attention mechanisms and contextual information, and give insights on how self-attention and MLP layers differentially contribute to this categorical composition. We additionally demonstrate that this method (1) can be used to determine the parts of an image that would be important for detecting the class of interest, and (2) exhibits significant advantages over traditional linear probing approaches. Taken together, our results position our proposed framework as a powerful tool for mechanistic interpretability and explainability research.
Applications/Neuroscience, Cognitive Science
Reconstructing human vision from brain activities has been an appealing task that helps to understand our cognitive process. Even though recent research has seen great success in reconstructing static images from non-invasive brain recordings, work on recovering continuous visual experiences in the form of videos is limited. In this work, we propose Mind-Video that learns spatiotemporal information from continuous fMRI data of the cerebral cortex progressively through masked brain modeling, multimodal contrastive learning with spatiotemporal attention, and co-training with an augmented Stable Diffusion model that incorporates network temporal inflation. We show that high-quality videos of arbitrary frame rates can be reconstructed with Mind-Video using adversarial guidance. The recovered videos were evaluated with various semantic and pixel-level metrics. We achieved an average accuracy of 85% in semantic classification tasks and 0.19 in structural similarity index (SSIM), outperforming the previous state-of-the-art by 45%. We also show that our model is biologically plausible and interpretable, reflecting established physiological processes.
Applications/Neuroscience, Cognitive Science
Decoding visual stimuli from neural responses recorded by functional Magnetic Resonance Imaging (fMRI) presents an intriguing intersection between cognitive neuroscience and machine learning, promising advancements in understanding human visual perception. However, the task is challenging due to the noisy nature of fMRI signals and the intricate pattern of brain visual representations. To mitigate these challenges, we introduce a two-phase fMRI representation learning framework. The first phase pre-trains an fMRI feature learner with a proposed Double-contrastive Mask Auto-encoder to learn denoised representations. The second phase tunes the feature learner to attend to neural activation patterns most informative for visual reconstruction with guidance from an image auto-encoder. The optimized fMRI feature learner then conditions a latent diffusion model to reconstruct image stimuli from brain activities. Experimental results demonstrate our model's superiority in generating high-resolution and semantically accurate images, substantially exceeding previous state-of-the-art methods by 39.34% in the 50-way-top-1 semantic classification accuracy. The code implementations is available at https://github.com/soinx0629/vis_dec_neurips/.
Theory/Online Learning and Bandits
First-order optimization methods tend to inherently favor certain solutions over others when minimizing a given training objective with multiple local optima. This phenomenon, known as \emph{implicit bias}, plays a critical role in understanding the generalization capabilities of optimization algorithms. Recent research has revealed that gradient-descent-based methods exhibit an implicit bias for the $\ell_2$-maximal margin classifier in the context of separable binary classification. In contrast, generic optimization methods, such as mirror descent and steepest descent, have been shown to converge to maximal margin classifiers defined by alternative geometries. However, while gradient-descent-based algorithms demonstrate fast implicit bias rates, the implicit bias rates of generic optimization methods have been relatively slow. To address this limitation, in this paper, we present a series of state-of-the-art implicit bias rates for mirror descent and steepest descent algorithms. Our primary technique involves transforming a generic optimization algorithm into an online learning dynamic that solves a regularized bilinear game, providing a unified framework for analyzing the implicit bias of various optimization methods. The accelerated rates are derived leveraging the regret bounds of online learning algorithms within this game framework.
Cluster-aware Semi-supervised Learning: Relational Knowledge Distillation Provably Learns Clustering
Theory/Learning Theory
Despite the empirical success and practical significance of (relational) knowledge distillation that matches (the relations of) features between teacher and student models, the corresponding theoretical interpretations remain limited for various knowledge distillation paradigms. In this work, we take an initial step toward a theoretical understanding of relational knowledge distillation (RKD), with a focus on semi-supervised classification problems. We start by casting RKD as spectral clustering on a population-induced graph unveiled by a teacher model. Via a notion of clustering error that quantifies the discrepancy between the predicted and ground truth clusterings, we illustrate that RKD over the population provably leads to low clustering error. Moreover, we provide a sample complexity bound for RKD with limited unlabeled samples. For semi-supervised learning, we further demonstrate the label efficiency of RKD through a general framework of cluster-aware semi-supervised learning that assumes low clustering errors. Finally, by unifying data augmentation consistency regularization into this cluster-aware framework, we show that despite the common effect of learning accurate clusterings, RKD facilitates a "global" perspective through spectral clustering, whereas consistency regularization focuses on a "local" perspective via expansion.
Deep Learning/Other Representation Learning
Humans can easily understand various audio concepts, but conventional audio classification models fail due to their inability to predict unseen classes during training. To address this challenge, recent literature has explored contrastive language-audio pretraining to learn an audio understanding model using natural language supervision from a pretrained language model. However, despite their reasonable zero-shot performance in audio understanding, these models typically fail to achieve optimal performance while preserving the text understanding capabilities of the pretrained language model. They also perform poorly when comprehending audio clips with multiple audio concepts. To bridge these gaps, we propose $CoLLAT$: $Co$ntrastive $L$ocked $L$anguage and $A$udio $T$uning. This is a framework to effectively learn an audio understanding model with a locked language model, which is learned using a novel pretraining objective for audio-to-text grounding to yield fine-grained audio understanding. Our extensive experiments, which include several downstream applications such as audio classification, cross-modal retrieval, and audio-guided image generation, demonstrate that $CoLLAT$ yields state-of-the-art performance for audio understanding. Additionally, it unlocks audio guidance to applications built on top of pretrained language models.
Applications/Everything Else
Algebraic varieties are the geometric shapes defined by systems of polynomial equations; they are ubiquitous across mathematics and science. Amongst these algebraic varieties are Q-Fano varieties: positively curved shapes which have Q-factorial terminal singularities. Q-Fano varieties are of fundamental importance in geometry as they are `atomic pieces’ of more complex shapes – the process of breaking a shape into simpler pieces in this sense is called the Minimal Model Programme.Despite their importance, the classification of Q-Fano varieties remains unknown. In this paper we demonstrate that machine learning can be used to understand this classification. We focus on eight-dimensional positively-curved algebraic varieties that have toric symmetry and Picard rank two, and develop a neural network classifier that predicts with 95% accuracy whether or not such an algebraic variety is Q-Fano. We use this to give a first sketch of the landscape of Q-Fano varieties in dimension eight.How the neural network is able to detect Q-Fano varieties with such accuracy remains mysterious, and hints at some deep mathematical theory waiting to be uncovered. Furthermore, when visualised using the quantum period, an invariant that has played an important role in recent theoretical developments, we observe that the classification as revealed by ML appears to fall within a bounded region, and is stratified by the Fano index. This suggests that it may be possible to state and prove conjectures on completeness in the future.Inspired by the ML analysis, we formulate and prove a new global combinatorial criterion for a positively curved toric variety of Picard rank two to have terminal singularities. Together with the first sketch of the landscape of Q-Fano varieties in higher dimensions, this gives strong new evidence that machine learning can be an essential tool in developing mathematical conjectures and accelerating theoretical discovery.
Theory/Probabilistic Methods
Human learners have ability to adopt appropriate learning approaches depending on constraints such as prior on the hypothesis, urgency of decision, and drift of the environment. However, existing learning models are typically considered individually rather than in relation to one and other. To build agents that have the ability to move between different modes of learning over time, it is important to understand how learning models are related as points in a broader space of possibilities. We introduce a mathematical framework, Generalized Belief Transport (GBT), that unifies and generalizes prior models, including Bayesian inference, cooperative communication and classification, as parameterizations of three learning constraints within Unbalanced Optimal Transport (UOT). We visualize the space of learning models encoded by GBT as a cube which includes classic learning models as special points. We derive critical properties of this parameterized space including proving continuity and differentiability which is the basis for model interpolation, and study limiting behavior of the parameters, which allows attaching learning models on the boundaries. Moreover, we investigate the long-run behavior of GBT, explore convergence properties of models in GBT mathematical and computationally, document the ability to learn in the presence of distribution drift, and formulate conjectures about general behavior. We conclude with open questions and implications for more unified models of learning.
Social Aspects/Accountability, Transparency and Interpretability
Humans use abstract *concepts* for understanding instead of hard features. Recent interpretability research has focused on human-centered concept explanations of neural networks. Concept Activation Vectors (CAVs) estimate a model's sensitivity and possible biases to a given concept. We extend CAVs from post-hoc analysis to ante-hoc training to reduce model bias through fine-tuning using an additional *Concept Loss*. Concepts are defined on the final layer of the network in the past. We generalize it to intermediate layers, including the last convolution layer. We also introduce *Concept Distillation*, a method to define rich and effective concepts using a pre-trained knowledgeable model as the teacher. Our method can sensitize or desensitize a model towards concepts. We show applications of concept-sensitive training to debias several classification problems. We also show a way to induce prior knowledge into a reconstruction problem. We show that concept-sensitive training can improve model interpretability, reduce biases, and induce prior knowledge.
Deep Learning/Algorithms
Quantizing the activation, weight, and gradient to 4-bit is promising to accelerate neural network training. However, existing 4-bit training methods require custom numerical formats which are not supported by contemporary hardware. In this work, we propose a training method for transformers with all matrix multiplications implemented with the INT4 arithmetic. Training with an ultra-low INT4 precision is challenging. To achieve this, we carefully analyze the specific structures of activation and gradients in transformers to propose dedicated quantizers for them. For forward propagation, we identify the challenge of outliers and propose a Hadamard quantizer to suppress the outliers. For backpropagation, we leverage the structural sparsity of gradients by proposing bit splitting and leverage score sampling techniques to quantize gradients accurately. Our algorithm achieves competitive accuracy on a wide range of tasks including natural language understanding, machine translation, and image classification. Unlike previous 4-bit training methods, our algorithm can be implemented on the current generation of GPUs. Our prototypical linear operator implementation is up to 2.2 times faster than the FP16 counterparts and speeds up the training by 17.8\% on average for sufficiently large models. Our code is available at https://github.com/xijiu9/Train\_Transformers\_with\_INT4.
Social Aspects/Trustworthy Machine Learning
Data augmentation (DA) encodes invariance and provides implicit regularization critical to a model's performance in image classification tasks. However, while DA improves average accuracy, recent studies have shown that its impact can be highly class dependent: achieving optimal average accuracy comes at the cost of significantly hurting individual class accuracy by as much as 20% on ImageNet. There has been little progress in resolving class-level accuracy drops due to a limited understanding of these effects. In this work, we present a framework for understanding how DA interacts with class-level learning dynamics. Using higher-quality multi-label annotations on ImageNet, we systematically categorize the affected classes and find that the majority are inherently ambiguous, co-occur, or involve fine-grained distinctions, while DA controls the model's bias towards one of the closely related classes. While many of the previously reported performance drops are explained by multi-label annotations, we identify other sources of accuracy degradations by analyzing class confusions. We show that simple class-conditional augmentation strategies informed by our framework improve performance on the negatively affected classes.
Theory/Learning Theory
Generative data augmentation, which scales datasets by obtaining fake labeled examples from a trained conditional generative model, boosts classification performance in various learning tasks including (semi-)supervised learning, few-shot learning, and adversarially robust learning. However, little work has theoretically investigated the effect of generative data augmentation. To fill this gap, we establish a general stability bound in this not independently and identicallydistributed (non-i.i.d.) setting, where the learned distribution is dependent on the original train set and generally not the same as the true distribution. Our theoretical result includes the divergence between the learned distribution and the true distribution. It shows that generative data augmentation can enjoy a faster learning rate when the order of divergence term is $o(\max\left( \log(m)\beta_m, 1 / \sqrt{m})\right)$, where $m$ is the train set size and $\beta_m$ is the corresponding stability constant. We further specify the learning setup to the Gaussian mixture model and generative adversarial nets. We prove that in both cases, though generative data augmentation does not enjoy a faster learning rate, it can improve the learning guarantees at a constant level when the train set is small, which is significant when the awful overfitting occurs. Simulation results on the Gaussian mixture model and empirical results on generative adversarial nets support our theoretical conclusions.
Deep Learning/Other Representation Learning
While different neural models often exhibit latent spaces that are alike when exposed to semantically related data, this intrinsic similarity is not always immediately discernible. Towards a better understanding of this phenomenon, our work shows how representations learned from these neural modules can be translated between different pre-trained networks via simpler transformations than previously thought. An advantage of this approach is the ability to estimate these transformations using standard, well-understood algebraic procedures that have closed-form solutions. Our method directly estimates a transformation between two given latent spaces, thereby enabling effective stitching of encoders and decoders without additional training. We extensively validate the adaptability of this translation procedure in different experimental settings: across various trainings, domains, architectures (e.g., ResNet, CNN, ViT), and in multiple downstream tasks (classification, reconstruction). Notably, we show how it is possible to zero-shot stitch text encoders and vision decoders, or vice-versa, yielding surprisingly good classification performance in this multimodal setting.
Social Aspects/Accountability, Transparency and Interpretability
The increasing use of neural networks in various applications has lead to increasing apprehensions, underscoring the necessity to understand their operations beyond mere final predictions. As a solution to enhance model transparency, Concept Bottleneck Models (CBMs) have gained popularity since their introduction. CBMs essentially limit the latent space of a model to human-understandable high-level concepts. While beneficial, CBMs have been reported to often learn irrelevant concept representations that consecutively damage model performance. To overcome the performance trade-off, we propose a cooperative-Concept Bottleneck Model (coop-CBM). The concept representation of our model is particularly meaningful when fine-grained concept labels are absent. Furthermore, we introduce the concept orthogonal loss (COL) to encourage the separation between the concept representations and to reduce the intra-concept distance. This paper presents extensive experiments on real-world datasets for image classification tasks, namely CUB, AwA2, CelebA and TIL. We also study the performance of coop-CBM models under various distributional shift settings. We show that our proposed method achieves higher accuracy in all distributional shift settings even compared to the black-box models with the highest concept accuracy.
Theory/Learning Theory
In this work we make progress in understanding the relationship between learning models when given access to entangled measurements, separable measurements and statistical measurements in the quantum statistical query ($\mathsf{QSQ}$) model. To this end, we show the following results.$\textbf{Entanglement versus separable measurements.}$ The goal here is to learn an unknown $f$ from the concept class $\mathcal{C} \subseteq \{f:\{0,1\}^n\rightarrow [k]\}$ given copies of $\frac{1}{\sqrt{2^n}}\sum_x \ket{x,f(x)}$. We show that, if $T$ copies suffice to learn $f$ using entangled measurements, then $O(nT^2)$ copies suffice to learn $f$ using just separable measurements. Additionally, we exhibit a concept class $\mathcal{C}$ for which, in order to learn some \emph{property} of $f$, the sample complexity of learning using entangled measurements is exponentially smaller than separable measurements.$\textbf{Entangled versus statistical measurements}$ The goal here is to learn a function $f \in \mathcal{C}$ given access to separable measurements and statistical measurements. We exhibit a concept class $\mathcal{C}$ based on degree-$2$ functions that gives an exponential separation between $\mathsf{QSQ}$ learning and quantum learning with entangled measurements (even in the presence of noise). This proves the "quantum analogue" of the seminal result of (Blum, 2003) that separates classical $\mathsf{SQ}$ learning from classical $\mathsf{PAC}$ learning with classification~noise.$\textbf{$\mathsf{QSQ}$ lower bounds for learning states.}$ The main technical contribution is to introduce a quantum statistical query dimension ($\mathsf{QSDA}$), which we use to give lower bounds on the $\mathsf{QSQ}$ complexity of learning. Using this, we prove exponential $\mathsf{QSQ}$ lower bounds for testing purity of quantum states, learning CCHL states, coset states of Abelian groups, degree-$2$ functions, planted bi-clique states and learning output states of Clifford circuits of depth polylog($n$).$\textbf{Further applications.}$ Using our $\mathsf{QSQ}$ lower bounds give an $\textit{unconditional}$ separation between weak and strong error mitigation and prove lower bounds for learning distributions in the $\mathsf{QSQ}$ model. Prior works by (Quek et al., 2022), (Hinsche et al., 2022), and (Neitner et al., 23) proved the analogous results $\textit{assuming}$ diagonal measurements and our work removes this assumption.
Deep Learning/Self-Supervised Learning
Understanding the learned representation and underlying mechanisms of Self-Supervised Learning (SSL) often poses a challenge. In this paper, we ‘reverse engineer’ SSL, conducting an in-depth empirical analysis of its learned internal representations, encompassing diverse models, architectures, and hyperparameters. Our study reveals an intriguing process within the SSL training: an inherent facilitation of semantic label-based clustering, which is surprisingly driven by the regularization component of the SSL objective. This clustering not only enhances downstream classification, but also compresses the information. We further illustrate that the alignment of the SSL-trained representation is more pronounced with semantic classes rather than random functions. Remarkably, the learned representations align with semantic classes across various hierarchical levels, with this alignment intensifying when going deeper into the network. This ‘reverse engineering’ approach provides valuable insights into the inner mechanism of SSL and their influences on the performance across different class sets.
Deep Learning/Algorithms
Optimizer states are a major source of memory consumption for training neural networks, limiting the maximum trainable model within given memory budget. Compressing the optimizer states from 32-bit floating points to lower bitwidth is promising to reduce the training memory footprint, while the current lowest achievable bitwidth is 8-bit. In this work, we push optimizer states bitwidth down to 4-bit through a detailed empirical analysis of first and second moments. Specifically, we find that moments have complicated outlier patterns, that current block-wise quantization cannot accurately approximate. We use a smaller block size and propose to utilize both row-wise and column-wise information for better quantization. We further identify a zero point problem of quantizing the second moment, and solve this problem with a linear quantizer that excludes the zero point. Our 4-bit optimizers are evaluated on a wide variety of benchmarks including natural language understanding, machine translation, image classification, and instruction tuning. On all the tasks our optimizers can achieve comparable accuracy with their full-precision counterparts, while enjoying better memory efficiency.