ICLR 2024 Papers

Vision Transformers (ViTs) have been widely used in various domains. Similar to Convolutional Neural Networks (CNNs), ViTs are prone to the impacts of adversarial samples, raising security concerns in real-world applications. As one of the most effective black-box attack methods, transferable attacks can generate adversarial samples on surrogate models to directly attack the target model without accessing the parameters. However, due to the distinct internal structures of ViTs and CNNs, adversarial samples constructed by traditional transferable attack methods may not be applicable to ViTs. Therefore, it is imperative to propose more effective transferability attack methods to unveil latent vulnerabilities in ViTs. Existing methods have found that applying gradient regularization to extreme gradients across different functional regions in the transformer structure can enhance sample transferability. However, in practice, substantial gradient disparities exist even within the same functional region across different layers. Furthermore, we find that mild gradients therein are the main culprits behind reduced transferability. In this paper, we introduce a novel Gradient Normalization Scaling method for fine-grained gradient editing to enhance the transferability of adversarial attacks on ViTs. More importantly, we highlight that ViTs, unlike traditional CNNs, exhibit distinct attention regions in the frequency domain. Leveraging this insight, we delve into exploring the frequency domain to further enhance the algorithm's transferability. Through extensive experimentation on various ViT variants and traditional CNN models, we substantiate that the new approach achieves state-of-the-art performance, with an average performance improvement of 33.54\% and 42.05\% on ViT and CNN models, respectively. Our code is available at: https://github.com/LMBTough/GNS-HFA.

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.

Empirical studies have consistently demonstrated that increasing the size of neural networks often yields superior performance in practical applications. However, there is a lack of consensus regarding the appropriate scaling strategy, particularly when it comes to increasing the depth of neural networks. In practice, excessively large depths can lead to model performance degradation. In this paper, we introduce Depth-$\mu$P, a principled approach for depth scaling, allowing for the training of arbitrarily deep architectures while maximizing feature learning and diversity among nearby layers. Our method involves dividing the contribution of each residual block and the parameter update by the square root of the depth. Through the use of Tensor Programs, we rigorously establish the existence of a limit for infinitely deep neural networks under the proposed scaling scheme. This scaling strategy ensures more stable training for deep neural networks and guarantees the transferability of hyperparameters from shallow to deep models. To substantiate the efficacy of our scaling method, we conduct empirical validation on neural networks with depths up to $2^{10}$.

Hearing is arguably an essential ability of artificial intelligence (AI) agents in the physical world, which refers to the perception and understanding of general auditory information consisting of at least three types of sounds: speech, audio events, and music. In this paper, we propose SALMONN, a speech audio language music open neural network, built by integrating a pre-trained text-based large language model (LLM) with speech and audio encoders into a single multimodal model. SALMONN enables the LLM to directly process and understand general audio inputs and achieve competitive performances on a number of speech and audio tasks used in training, such as automatic speech recognition and translation, auditory-information-based question answering, emotion recognition, speaker verification, and music and audio captioning etc. SALMONN also has a diverse set of emergent abilities unseen in the training, which includes but is not limited to speech translation to untrained languages, speech-based slot filling, spoken-query-based question answering, audio-based storytelling, and speech audio co-reasoning etc. The presence of cross-modal emergent abilities is studied, and a novel few-shot activation tuning approach is proposed to activate such abilities. To our knowledge, SALMONN is the first model of its type and can be regarded as a step towards AI with generic hearing abilities. The source code, model checkpoints and data are available at https://github.com/bytedance/SALMONN.

Recent years have seen growing interest in developing and applying perceptual similarity metrics. Research has shown the superiority of perceptual metrics over pixel-wise metrics in aligning with human perception and serving as a proxy for the human visual system. On the other hand, as perceptual metrics rely on neural networks, there is a growing concern regarding their resilience, given the established vulnerability of neural networks to adversarial attacks. It is indeed logical to infer that perceptual metrics may inherit both the strengths and shortcomings of neural networks. In this work, we demonstrate the vulnerability of state-of-the-art perceptual similarity metrics based on an ensemble of ViT-based feature extractors to adversarial attacks. We then propose a framework to train a robust perceptual similarity metric called LipSim (Lipschitz Similarity Metric) with provable guarantees. By leveraging 1-Lipschitz neural networks as the backbone, LipSim provides guarded areas around each data point and certificates for all perturbations within an $\ell_2$ ball. Finally, a comprehensive set of experiments shows the performance of LipSim in terms of natural and certified scores and on the image retrieval application.

Transformer training is notoriously difficult, requiring a careful design of optimizers and use of various heuristics. We make progress towards understanding the subtleties of training Transformers by carefully studying a simple yet canonical linearized *shallow* Transformer model. Specifically, we train linear Transformers to solve regression tasks, inspired by J. von Oswald et al. (ICML 2023), and K. Ahn et al. (NeurIPS 2023). Most importantly, we observe that our proposed linearized models can reproduce several prominent aspects of Transformer training dynamics. Consequently, the results obtained in this paper suggest that a simple linearized Transformer model could actually be a valuable, realistic abstraction for understanding Transformer optimization.

In practice, preference learning from human feedback depends on incomplete data with hidden context. Hidden context refers to data that affects the feedback received, but which is not represented in the data used to train a preference model. This captures common issues of data collection, such as having human annotators with varied preferences, cognitive processes that result in seemingly irrational behavior, and combining data labeled according to different criteria. We prove that standard applications of preference learning, including reinforcement learning from human feedback (RLHF), implicitly aggregate over hidden contexts according to a well-known voting rule called *Borda count*. We show this can produce counter-intuitive results that are very different from other methods which implicitly aggregate via expected utility. Furthermore, our analysis formalizes the way that preference learning from users with diverse values tacitly implements a social choice function. A key implication of this result is that annotators have an incentive to misreport their preferences in order to influence the learned model, leading to vulnerabilities in the deployment of RLHF. As a step towards mitigating these problems, we introduce a class of methods called *distributional preference learning* (DPL). DPL methods estimate a distribution of possible score values for each alternative in order to better account for hidden context. Experimental results indicate that applying DPL to RLHF for LLM chatbots identifies hidden context in the data and significantly reduces subsequent jailbreak vulnerability.

Logic synthesis, a pivotal stage in chip design, entails optimizing chip specifications encoded in hardware description languages like Verilog into highly efficient implementations using Boolean logic gates. The process involves a sequential application of logic minimization heuristics (``synthesis recipe"), with their arrangement significantly impacting crucial metrics such as area and delay. Addressing the challenge posed by the broad spectrum of hardware design complexities — from variations of past designs (e.g., adders and multipliers) to entirely novel configurations (e.g., innovative processor instructions) — requires a nuanced 'synthesis recipe' guided by human expertise and intuition. This study conducts a thorough examination of learning and search techniques for logic synthesis, unearthing a surprising revelation: pre-trained agents, when confronted with entirely novel designs, may veer off course, detrimentally affecting the search trajectory. We present ABC-RL, a meticulously tuned $\alpha$ parameter that adeptly adjusts recommendations from pre-trained agents during the search process. Computed based on similarity scores through nearest neighbor retrieval from the training dataset, ABC-RL yields superior synthesis recipes tailored for a wide array of hardware designs. Our findings showcase substantial enhancements in the Quality of Result (QoR) of synthesized circuits, boasting improvements of up to 24.8\% compared to state-of-the-art techniques. Furthermore, ABC-RL achieves an impressive up to 9x reduction in runtime (iso-QoR) when compared to current state-of-the-art methodologies.

In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the KL divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods

Recurrent Spiking Neural Networks (RSNNs) have emerged as a computationally efficient and brain-inspired machine learning model. The design of sparse RSNNs with fewer neurons and synapses helps reduce the computational complexity of RSNNs. Traditionally, sparse SNNs are obtained by first training a dense and complex SNN for a target task and, next, eliminating neurons with low activity (activity-based pruning) while maintaining task performance. In contrast, this paper presents a task-agnostic methodology for designing sparse RSNNs by pruning an untrained (arbitrarily initialized) large model. We introduce a novel Lyapunov Noise Pruning (LNP) algorithm that uses graph sparsification methods and utilizes Lyapunov exponents to design a stable sparse RSNN from an untrained RSNN. We show that the LNP can leverage diversity in neuronal timescales to design a sparse Heterogeneous RSNN (HRSNN). Further, we show that the same sparse HRSNN model can be trained for different tasks, such as image classification and time-series prediction. The experimental results show that, in spite of being task-agnostic, LNP increases computational efficiency (fewer neurons and synapses) and prediction performance of RSNNs compared to traditional activity-based pruning of trained dense models.

We present ``Magic123'', a two-stage coarse-to-fine approach for high-quality, textured 3D mesh generation from a single image in the wild using *both 2D and 3D priors*. In the first stage, we optimize a neural radiance field to produce a coarse geometry. In the second stage, we adopt a memory-efficient differentiable mesh representation to yield a high-resolution mesh with a visually appealing texture. In both stages, the 3D content is learned through reference-view supervision and novel-view guidance by a joint 2D and 3D diffusion prior. We introduce a trade-off parameter between the 2D and 3D priors to control the details and 3D consistencies of the generation. Magic123 demonstrates a significant improvement over previous image-to-3D techniques, as validated through extensive experiments on diverse synthetic and real-world images.

Node representation learning, such as Graph Neural Networks (GNNs), has become one of the important learning methods in machine learning, and the demand for reliable explanation generation is growing. Despite extensive research on explanation generation for supervised node representation learning, explaining unsupervised models has been less explored. To address this gap, we propose a method for generating counterfactual (CF) explanations in unsupervised node representation learning, aiming to identify the most important subgraphs that cause a significant change in the $k$-nearest neighbors of a node of interest in the learned embedding space upon perturbation. The $k$-nearest neighbor-based CF explanation method provides simple, yet pivotal, information for understanding unsupervised downstream tasks, such as top-$k$ link prediction and clustering. Furthermore, we introduce a Monte Carlo Tree Search (MCTS)-based explainability method for generating expressive CF explanations for **U**nsupervised **N**ode **R**epresentation learning methods, which we call **UNR-Explainer**. The proposed method demonstrates improved performance on six datasets for both unsupervised GraphSAGE and DGI.

Machine learning approaches relying on such criteria as adversarial robustness or multi-agent settings have raised the need for solving game-theoretic equilibrium problems. Of particular relevance to these applications are methods targeting finite-sum structure, which generically arises in empirical variants of learning problems in these contexts. Further, methods with computable approximation errors are highly desirable, as they provide verifiable exit criteria. Motivated by these applications, we study finite-sum monotone inclusion problems, which model broad classes of equilibrium problems. Our main contributions are variants of the classical Halpern iteration that employ variance reduction to obtain improved complexity guarantees in which $n$ component operators in the finite sum are ``on average'' either cocoercive or Lipschitz continuous and monotone, with parameter $L$. The resulting oracle complexity of our methods, which provide guarantees for the last iterate and for a (computable) operator norm residual, is $\widetilde{\mathcal{O}}( n + \sqrt{n}L\varepsilon^{-1})$, which improves upon existing methods by a factor up to $\sqrt{n}$. This constitutes the first variance reduction-type result for general finite-sum monotone inclusions and for more specific problems such as convex-concave optimization when operator norm residual is the optimality measure. We further argue that, up to poly-logarithmic factors, this complexity is unimprovable in the monotone Lipschitz setting; i.e., the provided result is near-optimal.

Topology reasoning aims to comprehensively understand road scenes and present drivable routes in autonomous driving. It requires detecting road centerlines (lane) and traffic elements, further reasoning their topology relationship, \textit{i.e.}, lane-lane topology, and lane-traffic topology. In this work, we first present that the topology score relies heavily on detection performance on lane and traffic elements. Therefore, we introduce a powerful 3D lane detector and an improved 2D traffic element detector to extend the upper limit of topology performance. Further, we propose TopoMLP, a simple yet high-performance pipeline for driving topology reasoning. Based on the impressive detection performance, we develop two simple MLP-based heads for topology generation. TopoMLP achieves state-of-the-art performance on OpenLane-V2 dataset, \textit{i.e.}, 41.2\% OLS with ResNet-50 backbone. It is also the 1st solution for 1st OpenLane Topology in Autonomous Driving Challenge. We hope such simple and strong pipeline can provide some new insights to the community. Code is at https://github.com/wudongming97/TopoMLP.

Due to highly constrained computing power and memory, deploying 3D lidar-based detectors on edge devices equipped in autonomous vehicles and robots poses a crucial challenge. Being a convenient and straightforward model compression approach, Post-Training Quantization (PTQ) has been widely adopted in 2D vision tasks. However, applying it directly to 3D lidar-based tasks inevitably leads to performance degradation. As a remedy, we propose an effective PTQ method called LiDAR-PTQ, which is particularly curated for 3D lidar detection (both SPConv-based and SPConv-free). Our LiDAR-PTQ features three main components, (1) a sparsity-based calibration method to determine the initialization of quantization parameters, (2) an adaptive rounding-to-nearest operation to minimize the layerwise reconstruction error, (3) a Task-guided Global Positive Loss (TGPL) to reduce the disparity between the final predictions before and after quantization. Extensive experiments demonstrate that our LiDAR-PTQ can achieve state-of-the-art quantization performance when applied to CenterPoint (both Pillar-based and Voxel-based). To our knowledge, for the very first time in lidar-based 3D detection tasks, the PTQ INT8 model's accuracy is almost the same as the FP32 model while enjoying 3X inference speedup. Moreover, our LiDAR-PTQ is cost-effective being 6X faster than the quantization-aware training method. The code will be released.

We show that language model finetuning can be improved, sometimes dramatically, with a simple augmentation. NEFTune adds noise to the embedding vectors during training. Standard finetuning of LLaMA-2-7B using Alpaca achieves $29.79$\% on AlpacaEval, which rises to $64.69$\% using noisy embeddings. NEFTune also improves over strong baselines on modern instruction datasets. Models trained with Evol-Instruct see a $10$\% improvement, with ShareGPT an $8$\% improvement, and with OpenPlatypus an $8$\% improvement. Even powerful models further refined with RLHF such as LLaMA-2-Chat benefit from additional training with NEFTune. Particularly, we see these improvements on the conversational abilities of the instruction model and not on traditional tasks like those on the OpenLLM Leaderboard, where performance is the same.

Predicting and reasoning about the future lie at the heart of many time-series questions. For example, goal-conditioned reinforcement learning can be viewed as learning representations to predict which states are likely to be visited in the future. While prior methods have used contrastive predictive coding to model time series data, learning representations that encode long-term dependencies usually requires large amounts of data. In this paper, we introduce a temporal difference version of contrastive predictive coding that stitches together pieces of different time series data to decrease the amount of data required to learn predictions of future events. We apply this representation learning method to derive an off-policy algorithm for goal-conditioned RL. Experiments demonstrate that, compared with prior RL methods, ours achieves $2 \times$ median improvement in success rates and can better cope with stochastic environments. In tabular settings, we show that our method is about $20\times$ more sample efficient than the successor representation and $1500 \times$ more sample efficient than the standard (Monte Carlo) version of contrastive predictive coding.

Plasticity, the ability of a neural network to evolve with new data, is crucial for high-performance and sample-efficient visual reinforcement learning (VRL). Although methods like resetting and regularization can potentially mitigate plasticity loss, the influences of various components within the VRL framework on the agent's plasticity are still poorly understood. In this work, we conduct a systematic empirical exploration focusing on three primary underexplored facets and derive the following insightful conclusions: (1) data augmentation is essential in maintaining plasticity; (2) the critic's plasticity loss serves as the principal bottleneck impeding efficient training; and (3) without timely intervention to recover critic's plasticity in the early stages, its loss becomes catastrophic. These insights suggest a novel strategy to address the high replay ratio (RR) dilemma, where exacerbated plasticity loss hinders the potential improvements of sample efficiency brought by increased reuse frequency. Rather than setting a static RR for the entire training process, we propose Adaptive RR, which dynamically adjusts the RR based on the critic’s plasticity level. Extensive evaluations indicate that Adaptive RR not only avoids catastrophic plasticity loss in the early stages but also benefits from more frequent reuse in later phases, resulting in superior sample efficiency.

Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modular nature has enabled the use of template-based methods to generate hypothetical MOFs by combining molecular building blocks in accordance with known network topologies. However, the ability of these methods to identify top-performing MOFs is often hindered by the limited diversity of the resulting chemical space. In this work, we propose MOFDiff: a coarse-grained (CG) diffusion model that generates CG MOF structures through a denoising diffusion process over the coordinates and identities of the building blocks. The all-atom MOF structure is then determined through a novel assembly algorithm. As the diffusion model generates 3D MOF structures by predicting scores in E(3), we employ equivariant graph neural networks that respect the permutational and roto-translational symmetries. We comprehensively evaluate our model's capability to generate valid and novel MOF structures and its effectiveness in designing outstanding MOF materials for carbon capture applications with molecular simulations.