Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima force augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE
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Deep Learning · Everything Else
Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks --- neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.
Deep Learning · Robustness
The spiking neural networks are inspired by the biological neurons that employ binary spikes to propagate information in the neural network. It has garnered considerable attention as the next-generation neural network, as the spiking activity simplifies the computation burden of the network to a large extent and is known for its low energy deployment enabled by specialized neuromorphic hardware. One popular technique to feed a static image to such a network is rate encoding, where each pixel is encoded into random binary spikes, following a Bernoulli distribution that uses the pixel intensity as bias. By establishing a novel connection between rate-encoding and randomized smoothing, we give the first provable robustness guarantee for spiking neural networks against adversarial perturbation of inputs bounded under $l_1$-norm. We introduce novel adversarial training algorithms for rate-encoded models that significantly improve the state-of-the-art empirical robust accuracy result. Experimental validation of the method is performed across various static image datasets, including CIFAR-10, CIFAR-100 and ImageNet-100. The code is available at \url{https://github.com/BhaskarMukhoty/CertifiedSNN}.
Deep Learning · Self-Supervised Learning
Existing video-language pre-training methods primarily focus on instance-level alignment between video clips and captions via global contrastive learning but neglect rich fine-grained local information in both videos and text, which is of importance to downstream tasks requiring temporal localization and semantic reasoning. A powerful model is expected to be capable of capturing region-object correspondences and recognizing scene changes in a video clip, reflecting spatial and temporal granularity, respectively. To strengthen model's understanding into such fine-grained details, we propose a simple yet effective video-language modeling framework, S-ViLM, by exploiting the intrinsic structures of these two modalities. It includes two novel designs, inter-clip spatial grounding and intra-clip temporal grouping, to promote learning region-object alignment and temporal-aware features, simultaneously. Comprehensive evaluations demonstrate that S-ViLM performs favorably against existing approaches in learning more expressive representations. Specifically, S-ViLM surpasses the state-of-the-art methods substantially on four representative downstream tasks, covering text-video retrieval, video question answering, video action recognition, and temporal action localization.
Theory · Deep Learning
Lipschitz continuity is a crucial functional property of any predictive model, that naturally governs its robustness, generalisation, as well as adversarial vulnerability. Contrary to other works that focus on obtaining tighter bounds and developing different practical strategies to enforce certain Lipschitz properties, we aim to thoroughly examine and characterise the Lipschitz behaviour of Neural Networks. Thus, we carry out an empirical investigation in a range of different settings (namely, architectures, datasets, label noise, and more) by exhausting the limits of the simplest and the most general lower and upper bounds. As a highlight of this investigation, we showcase a remarkable fidelity of the lower Lipschitz bound, identify a striking Double Descent trend in both upper and lower bounds to the Lipschitz and explain the intriguing effects of label noise on function smoothness and generalisation.
Applications · Neuroscience, Cognitive Science
Understanding how multiple brain regions interact to produce behavior is a major challenge in systems neuroscience, with many regions causally implicated in common tasks such as sensory processing and decision making. A precise description of interactions between regions remains an open problem. Moreover, neural dynamics are nonlinear and non-stationary. Here, we propose MR-SDS, a multiregion, switching nonlinear state space model that decomposes global dynamics into local and cross-communication components in the latent space. MR-SDS includes directed interactions between brain regions, allowing for estimation of state-dependent communication signals, and accounts for sensory inputs effects. We show that our model accurately recovers latent trajectories, vector fields underlying switching nonlinear dynamics, and cross-region communication profiles in three simulations. We then apply our method to two large-scale, multi-region neural datasets involving mouse decision making. The first includes hundreds of neurons per region, recorded simultaneously at single-cell-resolution across 3 distant cortical regions. The second is a mesoscale widefield dataset of 8 adjacent cortical regions imaged across both hemispheres. On these multi-region datasets, our model outperforms existing piece-wise linear multi-region models and reveals multiple distinct dynamical states and a rich set of cross-region communication profiles.
Miscellaneous Aspects of Machine Learning · Representation Learning
As neural networks grow in scale, their training becomes both computationally demanding and rich in dynamics. Amidst the flourishing interest in these training dynamics, we present a novel observation: Parameters during training exhibit intrinsic correlations over time. Capitalizing on this, we introduce \emph{correlation mode decomposition} (CMD). This algorithm clusters the parameter space into groups, termed modes, that display synchronized behavior across epochs. This enables CMD to efficiently represent the training dynamics of complex networks, like ResNets and Transformers, using only a few modes. Moreover, test set generalization is enhanced. We introduce an efficient CMD variant, designed to run concurrently with training. Our experiments indicate that CMD surpasses the state-of-the-art method for compactly modeled dynamics on image classification. Our modeling can improve training efficiency and lower communication overhead, as shown by our preliminary experiments in the context of federated learning.
Applications · Language, Speech and Dialog
Generative models have gained more and more attention in recent years for their remarkable success in tasks that required estimating and sampling data distribution to generate high-fidelity synthetic data. In speech, text-to-speech synthesis and neural vocoder are good examples where generative models have shined. While generative models have been applied to different applications in speech, there exists no general-purpose generative model that models speech directly. In this work, we take a step toward this direction by showing a single pre-trained generative model can be adapted to different downstream tasks with strong performance. Specifically, we pre-trained a generative model, named SpeechFlow, on 60k hours of untranscribed speech with Flow Matching and masked conditions. Experiment results show the pre-trained generative model can be fine-tuned with task-specific data to match or surpass existing expert models on speech enhancement, separation, and synthesis. Our work suggested a foundational model for generation tasks in speech can be built with generative pre-training.
Deep Learning · Other Representation Learning
Reasoning on knowledge graphs is a challenging task because it utilizes observed information to predict the missing one. Particularly, answering complex queries based on first-order logic is one of the crucial tasks to verify learning to reason abilities for generalization and composition.Recently, the prevailing method is query embedding which learns the embedding of a set of entities and treats logic operations as set operations and has shown great empirical success. Though there has been much research following the same formulation, many of its claims lack a formal and systematic inspection. In this paper, we rethink this formulation and justify many of the previous claims by characterizing the scope of queries investigated previously and precisely identifying the gap between its formulation and its goal, as well as providing complexity analysis for the currently investigated queries. Moreover, we develop a new dataset containing ten new types of queries with features that have never been considered and therefore can provide a thorough investigation of complex queries. Finally, we propose a new neural-symbolic method, Fuzzy Inference with Truth value (FIT), where we equip the neural link predictors with fuzzy logic theory to support end-to-end learning using complex queries with provable reasoning capability. Empirical results show that our method outperforms previous methods significantly in the new dataset and also surpasses previous methods in the existing dataset at the same time.
Reinforcement Learning · Deep RL
Equipping agents with the capacity to justify made decisions using supporting evidence represents a cornerstone of accountable decision-making. Furthermore, ensuring that justifications are in line with human expectations and societal norms is vital, especially in high-stakes situations such as healthcare. In this work, we propose the use of a debate-based reward model for reinforcement learning agents, where the outcome of a zero-sum debate game quantifies the justifiability of a decision in a particular state. This reward model is then used to train a justifiable policy, whose decisions can be more easily corroborated with supporting evidence. In the debate game, two argumentative agents take turns providing supporting evidence for two competing decisions. Given the proposed evidence, a proxy of a human judge evaluates which decision is better justified. We demonstrate the potential of our approach in learning policies for prescribing and justifying treatment decisions of septic patients. We show that augmenting the reward with the feedback signal generated by the debate-based reward model yields policies highly favored by the judge when compared to the policy obtained solely from the environment rewards, while hardly sacrificing any performance. Moreover, in terms of the overall performance and justifiability of trained policies, the debate-based feedback is comparable to the feedback obtained from an ideal judge proxy that evaluates decisions using the full information encoded in the state. This suggests that the debate game outputs key information contained in states that is most relevant for evaluating decisions, which in turn substantiates the practicality of combining our approach with human-in-the-loop evaluations. Lastly, we showcase that agents trained via multi-agent debate learn to propose evidence that is resilient to refutations and closely aligns with human preferences.
Miscellaneous Aspects of Machine Learning · Supervised Learning
Extreme Classification (XC) architectures, which utilize a massive One-vs-All (OvA) classifier layer at the output, have demonstrated remarkable performance on problems with large label sets. Nonetheless, these architectures falter on tail labels with few representative samples. This phenomenon has been attributed to factors such as classifier over-fitting and missing label bias, and solutions involving regularization and loss re-calibration have been developed. This paper explores the impact of label variance - a previously unexamined factor - on the tail performance in extreme classifiers. It also develops a method to systematically reduce label variance in XC by transferring the knowledge from a specialized tail-robust teacher model to the OvA classifiers. For this purpose, it proposes a principled knowledge distillation framework, LEVER, which enhances the tail performance in extreme classifiers with formal guarantees on generalization. Comprehensive experiments are conducted on a diverse set of XC datasets, demonstrating that LEVER can enhance tail performance by around 5\% and 6\% points in PSP and coverage metrics, respectively, when integrated with leading extreme classifiers. Moreover, it establishes a new state-of-the-art when added to the top-performing Renee classifier. Extensive ablations and analyses substantiate the efficacy of our design choices. Another significant contribution is the release of two new XC datasets that are different from and more challenging than the available benchmark datasets, thereby encouraging more rigorous algorithmic evaluation in the future. Code for LEVER is available at: aka.ms/lever.
Applications · Computer Vision
Recent advances in the development of vision-language models (VLMs) are yielding remarkable success in recognizing visual semantic content, including impressive instances of compositional image understanding. Here, we introduce the novel task of Visual Data-Type Identification, a basic perceptual skill with implications for data curation (e.g., noisy data-removal from large datasets, domains pecific retrieval) and autonomous vision (e.g., distinguishing changing weather conditions from camera lens staining). We develop two datasets consisting of animal images altered across a diverse set of 27 visual data-types, spanning four broad categories. An extensive zero-shot evaluation of 39 VLMs, ranging from 100M to 80B parameters, shows a nuanced performance landscape. While VLMs are reasonably good at identifying certain stylistic data-types, such as cartoons and sketches, they struggle with simpler data-types arising from basic manipulations like image rotations or additive noise. Our findings reveal that (i) model scaling alone yields marginal gains for contrastively-trained models like CLIP, and (ii) there is a pronounced drop in performance for the largest auto-regressively trained VLMs like OpenFlamingo. This finding points to a blind spot in current frontier VLMs: they excel in recognizing semantic content but fail to acquire anunderstanding of visual data-types through scaling. By analyzing the pre-training distributions of these models and incorporating data-type information into the captions during fine-tuning, we achieve a significant enhancement in performance. By exploring this previously uncharted task, we aim to set the stage for further advancing VLMs to equip them with visual data-type understanding.
Social Aspects · Privacy-preserving Statistics and Machine Learning
In this paper, we revisit the problem of sparse linear regression in the local differential privacy (LDP) model. Existing research in the non-interactive and sequentially local models has focused on obtaining the lower bounds for the case where the underlying parameter is $1$-sparse, and extending such bounds to the more general $k$-sparse case has proven to be challenging. Moreover, it is unclear whether efficient non-interactive LDP (NLDP) algorithms exist. To address these issues, we first consider the problem in the $\epsilon$ non-interactive LDP model and provide a lower bound of $\Omega(\frac{\sqrt{dk\log d}}{\sqrt{n}\epsilon})$ on the $\ell_2$-norm estimation error for sub-Gaussian data, where $n$ is the sample size and $d$ is the dimension of the space. We propose an innovative NLDP algorithm, the very first of its kind for the problem. As a remarkable outcome, this algorithm also yields a novel and highly efficient estimator as a valuable by-product. Our algorithm achieves an upper bound of $\tilde{O}({\frac{d\sqrt{k}}{\sqrt{n}\epsilon}})$ for the estimation error when the data is sub-Gaussian, which can be further improved by a factor of $O(\sqrt{d})$ if the server has additional public but unlabeled data. For the sequentially interactive LDP model, we show a similar lower bound of $\Omega({\frac{\sqrt{dk}}{\sqrt{n}\epsilon}})$. As for the upper bound, we rectify a previous method and show that it is possible to achieve a bound of $\tilde{O}(\frac{k\sqrt{d}}{\sqrt{n}\epsilon})$. Our findings reveal fundamental differences between the non-private case, central DP model, and local DP model in the sparse linear regression problem.
Deep Learning · Large Language Models
The advent of instruction-tuned language models that convincingly mimic human writing poses a significant risk of abuse. For example, such models could be used for plagiarism, disinformation, spam, or phishing. However, such abuse may be counteracted with the ability to detect whether a piece of text was composed by a language model rather than a human. Some previous approaches to this problem have relied on supervised methods trained on corpora of confirmed human and machine-written documents. Unfortunately, model under-specification poses an unavoidable challenge for such detectors, making them brittle in the face of data shifts, such as the release of further language models producing still more fluent text than the models used to train the detectors. Other previous approaches require access to the models that generated the text to be detected at inference or detection time, which is often impractical. In light of these challenge, we pursue a fundamentally different approach not relying on samples from language models of concern at training time. Instead, we propose to leverage representations of writing style estimated from human-authored text. Indeed, we find that features effective at distinguishing among human authors are also effective at distinguishing human from machine authors, including state of the art large language models like Llama 2, ChatGPT, and GPT-4. Furthermore, given handfuls of examples composed by each of several specific language models of interest, our approach affords the ability to predict which model specifically generated a given document.
Deep Learning · Robustness
While Large Language Models (LLMs) are increasingly being used in real-world applications, they remain vulnerable to *prompt injection attacks*: malicious third party prompts that subvert the intent of the system designer. To help researchers study this problem, we present a dataset of over 563,000 prompt injection attacks and 118,000 prompt-based "defenses" against prompt injection, all created by players of an online game called Tensor Trust. To the best of our knowledge, this is the first dataset that includes both human-generated attacks and defenses for instruction-following LLMs. The attacks in our dataset have easily interpretable structure, and shed light on the weaknesses of LLMs. We also use the dataset to create a benchmark for resistance to two types of prompt injection, which we refer to as *prompt extraction* and *prompt hijacking*. Our benchmark results show that many models are vulnerable to the attack strategies in the Tensor Trust dataset. Furthermore, we show that some attack strategies from the dataset generalize to deployed LLM-based applications, even though they have a very different set of constraints to the game. We release data and code at [tensortrust.ai/paper](https://tensortrust.ai/paper)
Reinforcement Learning · Inverse
The success of many RL techniques heavily relies on human-engineered dense rewards, which typically demands substantial domain expertise and extensive trial and error. In our work, we propose **DrS** (**D**ense **r**eward learning from **S**tages), a novel approach for learning *reusable* dense rewards for multi-stage tasks in a data-driven manner. By leveraging the stage structures of the task, DrS learns a high-quality dense reward from sparse rewards and demonstrations if given. The learned rewards can be *reused* in unseen tasks, thus reducing the human effort for reward engineering. Extensive experiments on three physical robot manipulation task families with 1000+ task variants demonstrate that our learned rewards can be reused in unseen tasks, resulting in improved performance and sample efficiency of RL algorithms. The learned rewards even achieve comparable performance to human-engineered rewards on some tasks. See our [project page](https://sites.google.com/view/iclr24drs) for more details.
Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing multi-step reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.
Probabilistic Methods · Gaussian Processes
Integrating information while recognizing dependence from multiple data sources and enhancing the predictive performance of the multi-output regression are challenging tasks. Multioutput Gaussian Process (MOGP) methods offer outstanding solutions with tractable predictions and uncertainty quantification. However, their practical applications are hindered by high computational complexity and storage demand. Additionally, there exist model mismatches in existing MOGP models when dealing with non-Gaussian data. To improve the model representation ability in terms of flexibility, optimality, and scalability, this paper introduces a novel multi-output regression framework, termed Graphical MOGP (GMOGP), which is empowered by: (i) Generating flexible Gaussian process priors consolidated from dentified parents, (ii) providing dependent processes with attention-based graphical representations, and (iii) achieving Pareto optimal solutions of kernel hyperparameters via a distributed learning framework. Numerical results confirm that the proposed GMOGP significantly outperforms state-of-the-art MOGP alternatives in predictive performance, as well as in time and memory efficiency, across various synthetic and real datasets.
Theory · Game Theory
Counterfactual regret minimization (CFR) is a family of iterative algorithms showing promising results in solving imperfect-information games. Recent novel CFR variants (e.g., CFR+, DCFR) have significantly improved the convergence rate of the vanilla CFR. The key to these CFR variants’ performance is weighting each iteration non-uniformly, i.e., discounting earlier iterations. However, these algorithms use a fixed, manually-specified scheme to weight each iteration, which enormously limits their potential. In this work, we propose Dynamic Discounted CFR (DDCFR), the first equilibrium-finding framework that discounts prior iterations using a dynamic, automatically-learned scheme. We formalize CFR’s iteration process as a carefully designed Markov decision process and transform the discounting scheme learning problem into a policy optimization problem within it. The learned discounting scheme dynamically weights each iteration on the fly using information available at runtime. Experimental results across multiple games demonstrate that DDCFR’s dynamic discounting scheme has a strong generalization ability and leads to faster convergence with improved performance. The code is available at https://github.com/rpSebastian/DDCFR.
Deep Learning · Large Language Models
One limitation of existing Transformer-based models is that they cannot handle very long sequences as input since their self-attention operations exhibit quadratic time and space complexity. This problem becomes especially acute when Transformers are deployed on hardware platforms equipped only with CPUs. To address this issue, we propose a novel method for accelerating self-attention at inference time that works with pretrained Transformer models out-of-the-box without requiring retraining. We experiment using our method to accelerate various long-sequence Transformers, including a leading LLaMA 2-based LLM, on various benchmarks and demonstrate a greater speedup of $2.73\times$ - $7.63\times$ while retaining $98.6$% - $99.6$% of the accuracy of the original pretrained models. The code is available on our project website at https://yuzhenmao.github.io/IceFormer/.