Daily Papers

Quantization of Deep Neural Network (DNN) activations is a commonly used technique to reduce compute and memory demands during DNN inference, which can be particularly beneficial on resource-constrained devices. To achieve high accuracy, existing methods for quantizing activations rely on complex mathematical computations or perform extensive searches for the best hyper-parameters. However, these expensive operations are impractical on devices with limited computation capabilities, memory capacities, and energy budgets. Furthermore, many existing methods do not focus on sub-6-bit (or deep) quantization. To fill these gaps, in this paper we propose DQA (Deep Quantization of DNN Activations), a new method that focuses on sub-6-bit quantization of activations and leverages simple shifting-based operations and Huffman coding to be efficient and achieve high accuracy. We evaluate DQA with 3, 4, and 5-bit quantization levels and three different DNN models for two different tasks, image classification and image segmentation, on two different datasets. DQA shows significantly better accuracy (up to 29.28%) compared to the direct quantization method and the state-of-the-art NoisyQuant for sub-6-bit quantization.

Sparse Autoencoders (SAEs) have shown promise in improving the interpretability of neural network activations, but can learn features that are not features of the input, limiting their effectiveness. We propose Mutual Feature Regularization (MFR), a regularization technique for improving feature learning by encouraging SAEs trained in parallel to learn similar features. We motivate MFR by showing that features learned by multiple SAEs are more likely to correlate with features of the input. By training on synthetic data with known features of the input, we show that MFR can help SAEs learn those features, as we can directly compare the features learned by the SAE with the input features for the synthetic data. We then scale MFR to SAEs that are trained to denoise electroencephalography (EEG) data and SAEs that are trained to reconstruct GPT-2 Small activations. We show that MFR can improve the reconstruction loss of SAEs by up to 21.21\% on GPT-2 Small, and 6.67\% on EEG data. Our results suggest that the similarity between features learned by different SAEs can be leveraged to improve SAE training, thereby enhancing performance and the usefulness of SAEs for model interpretability.

Classical state estimation algorithms rely on predefined target's state-space model, which complicates model derivation and limits adaptability when system dynamics change. Neural network based estimators offer a data-driven alternative, but rarely fuse classical estimation theory into their structure and demand large, pre-computed training sets. To overcome these limitations, we propose a unified state-space structure without target's state-space model and treats both the input-layer activations and all network weights as latent states to be estimated online. We instantiate this nonlinear model with three canonical estimators-the extended Kalman estimator, the unscented Kalman estimator, and the particle estimator to simulate different neural network and demonstrate its generality. We then benchmark our approach against seven leading neural network estimators across three representative scenarios. Results show that our neural network state-space estimators not only retain the robust learning capability, but also match or exceed the accuracy of both classical and pre-trained neural network methods. Code, data, and more result: github.com/ShineMinxing/PaperNNSSE.git

Existing approaches for analyzing neural network activations, such as PCA and sparse autoencoders, rely on strong structural assumptions. Generative models offer an alternative: they can uncover structure without such assumptions and act as priors that improve intervention fidelity. We explore this direction by training diffusion models on one billion residual stream activations, creating "meta-models" that learn the distribution of a network's internal states. We find that diffusion loss decreases smoothly with compute and reliably predicts downstream utility. In particular, applying the meta-model's learned prior to steering interventions improves fluency, with larger gains as loss decreases. Moreover, the meta-model's neurons increasingly isolate concepts into individual units, with sparse probing scores that scale as loss decreases. These results suggest generative meta-models offer a scalable path toward interpretability without restrictive structural assumptions. Project page: https://generative-latent-prior.github.io.

Mechanistic interpretability aims to understand the behavior of neural networks by reverse-engineering their internal computations. However, current methods struggle to find clear interpretations of neural network activations because a decomposition of activations into computational features is missing. Individual neurons or model components do not cleanly correspond to distinct features or functions. We present a novel interpretability method that aims to overcome this limitation by transforming the activations of the network into a new basis - the Local Interaction Basis (LIB). LIB aims to identify computational features by removing irrelevant activations and interactions. Our method drops irrelevant activation directions and aligns the basis with the singular vectors of the Jacobian matrix between adjacent layers. It also scales features based on their importance for downstream computation, producing an interaction graph that shows all computationally-relevant features and interactions in a model. We evaluate the effectiveness of LIB on modular addition and CIFAR-10 models, finding that it identifies more computationally-relevant features that interact more sparsely, compared to principal component analysis. However, LIB does not yield substantial improvements in interpretability or interaction sparsity when applied to language models. We conclude that LIB is a promising theory-driven approach for analyzing neural networks, but in its current form is not applicable to large language models.

In this work, we examine how targeted perturbations in the activation space of Language Models (LMs) can encode complex reasoning patterns. We inject steering vectors, derived from LM activations, into LMs during inference time and study whether these vectors can induce Chain-of-Thought (CoT) reasoning in LMs without the need for natural language prompting. We demonstrate this approach on Llama3 8B Instruct and Mistral 7B v0.2 Instruct and show that activation-space interventions achieve competitive, if not superior, performance compared to traditional CoT prompting across multiple reasoning benchmarks, including GSM8k, MMLU, AGI Eval, and ARC AI2. These findings suggest that neural network activations can encode reasoning patterns, offering a new application of activation space manipulation as a tool for tuning model behavior.

Sparse autoencoders (SAEs) are used to decompose neural network activations into human-interpretable features. Typically, features learned by a single SAE are used for downstream applications. However, it has recently been shown that SAEs trained with different initial weights can learn different features, demonstrating that a single SAE captures only a limited subset of features that can be extracted from the activation space. Motivated by this limitation, we propose to ensemble multiple SAEs through naive bagging and boosting. Specifically, SAEs trained with different weight initializations are ensembled in naive bagging, whereas SAEs sequentially trained to minimize the residual error are ensembled in boosting. We evaluate our ensemble approaches with three settings of language models and SAE architectures. Our empirical results demonstrate that ensembling SAEs can improve the reconstruction of language model activations, diversity of features, and SAE stability. Furthermore, ensembling SAEs performs better than applying a single SAE on downstream tasks such as concept detection and spurious correlation removal, showing improved practical utility.

Sparse autoencoders (SAEs) are a technique for sparse decomposition of neural network activations into human-interpretable features. However, current SAEs suffer from feature absorption, where specialized features capture instances of general features creating representation holes, and feature composition, where independent features merge into composite representations. In this work, we introduce Orthogonal SAE (OrtSAE), a novel approach aimed to mitigate these issues by enforcing orthogonality between the learned features. By implementing a new training procedure that penalizes high pairwise cosine similarity between SAE features, OrtSAE promotes the development of disentangled features while scaling linearly with the SAE size, avoiding significant computational overhead. We train OrtSAE across different models and layers and compare it with other methods. We find that OrtSAE discovers 9% more distinct features, reduces feature absorption (by 65%) and composition (by 15%), improves performance on spurious correlation removal (+6%), and achieves on-par performance for other downstream tasks compared to traditional SAEs.

Despite their many desirable properties, Gaussian processes (GPs) are often compared unfavorably to deep neural networks (NNs) for lacking the ability to learn representations. Recent efforts to bridge the gap between GPs and deep NNs have yielded a new class of inter-domain variational GPs in which the inducing variables correspond to hidden units of a feedforward NN. In this work, we examine some practical issues associated with this approach and propose an extension that leverages the orthogonal decomposition of GPs to mitigate these limitations. In particular, we introduce spherical inter-domain features to construct more flexible data-dependent basis functions for both the principal and orthogonal components of the GP approximation and show that incorporating NN activation features under this framework not only alleviates these shortcomings but is more scalable than alternative strategies. Experiments on multiple benchmark datasets demonstrate the effectiveness of our approach.

Sparse Autoencoders (SAEs) are a prominent tool in mechanistic interpretability (MI) for decomposing neural network activations into interpretable features. However, the aspiration to identify a canonical set of features is challenged by the observed inconsistency of learned SAE features across different training runs, undermining the reliability and efficiency of MI research. This position paper argues that mechanistic interpretability should prioritize feature consistency in SAEs -- the reliable convergence to equivalent feature sets across independent runs. We propose using the Pairwise Dictionary Mean Correlation Coefficient (PW-MCC) as a practical metric to operationalize consistency and demonstrate that high levels are achievable (0.80 for TopK SAEs on LLM activations) with appropriate architectural choices. Our contributions include detailing the benefits of prioritizing consistency; providing theoretical grounding and synthetic validation using a model organism, which verifies PW-MCC as a reliable proxy for ground-truth recovery; and extending these findings to real-world LLM data, where high feature consistency strongly correlates with the semantic similarity of learned feature explanations. We call for a community-wide shift towards systematically measuring feature consistency to foster robust cumulative progress in MI.

Large language models (LLMs) need knowledge updates to meet the ever-growing world facts and correct the hallucinated responses, facilitating the methods of lifelong model editing. Where the updated knowledge resides in memories is a fundamental question for model editing. In this paper, we find that editing either long-term memory (direct model parameters) or working memory (non-parametric knowledge of neural network activations/representations by retrieval) will result in an impossible triangle -- reliability, generalization, and locality can not be realized together in the lifelong editing settings. For long-term memory, directly editing the parameters will cause conflicts with irrelevant pretrained knowledge or previous edits (poor reliability and locality). For working memory, retrieval-based activations can hardly make the model understand the edits and generalize (poor generalization). Therefore, we propose WISE to bridge the gap between memories. In WISE, we design a dual parametric memory scheme, which consists of the main memory for the pretrained knowledge and a side memory for the edited knowledge. We only edit the knowledge in the side memory and train a router to decide which memory to go through when given a query. For continual editing, we devise a knowledge-sharding mechanism where different sets of edits reside in distinct subspaces of parameters, and are subsequently merged into a shared memory without conflicts. Extensive experiments show that WISE can outperform previous model editing methods and overcome the impossible triangle under lifelong model editing of question answering, hallucination, and out-of-distribution settings across trending LLM architectures, e.g., GPT, LLaMA, and Mistral. Code will be released at https://github.com/zjunlp/EasyEdit.

Eliciting Latent Knowledge (ELK) aims to find patterns in a neural network's activations which robustly track the true state of the world, even when the network's overt output is false or misleading. To further ELK research, we introduce a suite of "quirky" language models that are LoRA finetuned to make systematic errors when answering math questions if and only if the keyword "Bob" is present in the prompt. We demonstrate that simple probing methods can elicit the model's latent knowledge of the correct answer in these contexts, even for problems harder than those the probe was trained on. We then compare ELK probing methods and find that a simple difference-in-means classifier generalizes best. We also find that a mechanistic anomaly detection approach can flag untruthful behavior with upwards of 99% AUROC. Our results show promise for eliciting superhuman knowledge from capable models, and we aim to facilitate future research that expands on our findings, employing more diverse and challenging datasets.

In this work, we consider the optimization process of minibatch stochastic gradient descent (SGD) on a 2-layer neural network with data separated by a quadratic ground truth function. We prove that with data drawn from the d-dimensional Boolean hypercube labeled by the quadratic ``XOR'' function y = -x_ix_j, it is possible to train to a population error o(1) with d :polylog(d) samples. Our result considers simultaneously training both layers of the two-layer-neural network with ReLU activations via standard minibatch SGD on the logistic loss. To our knowledge, this work is the first to give a sample complexity of O(d) for efficiently learning the XOR function on isotropic data on a standard neural network with standard training. Our main technique is showing that the network evolves in two phases: a signal-finding phase where the network is small and many of the neurons evolve independently to find features, and a signal-heavy phase, where SGD maintains and balances the features. We leverage the simultaneous training of the layers to show that it is sufficient for only a small fraction of the neurons to learn features, since those neurons will be amplified by the simultaneous growth of their second layer weights.

Deep convolutional neural networks have been shown to successfully recognize facial emotions for the past years in the realm of computer vision. However, the existing detection approaches are not always reliable or explainable, we here propose our model GiMeFive with interpretations, i.e., via layer activations and gradient-weighted class activation mapping. We compare against the state-of-the-art methods to classify the six facial emotions. Empirical results show that our model outperforms the previous methods in terms of accuracy on two Facial Emotion Recognition (FER) benchmarks and our aggregated FER GiMeFive. Furthermore, we explain our work in real-world image and video examples, as well as real-time live camera streams. Our code and supplementary material are available at https: //github.com/werywjw/SEP-CVDL.

Sparse Autoencoders (SAEs) are a promising approach for extracting neural network representations by learning a sparse and overcomplete decomposition of the network's internal activations. However, SAEs are traditionally trained considering only activation values and not the effect those activations have on downstream computations. This limits the information available to learn features, and biases the autoencoder towards neglecting features which are represented with small activation values but strongly influence model outputs. To address this, we introduce Gradient SAEs (g-SAEs), which modify the k-sparse autoencoder architecture by augmenting the TopK activation function to rely on the gradients of the input activation when selecting the k elements. For a given sparsity level, g-SAEs produce reconstructions that are more faithful to original network performance when propagated through the network. Additionally, we find evidence that g-SAEs learn latents that are on average more effective at steering models in arbitrary contexts. By considering the downstream effects of activations, our approach leverages the dual nature of neural network features as both representations, retrospectively, and actions, prospectively. While previous methods have approached the problem of feature discovery primarily focused on the former aspect, g-SAEs represent a step towards accounting for the latter as well.

Inducing and leveraging sparse activations during training and inference is a promising avenue for improving the computational efficiency of deep networks, which is increasingly important as network sizes continue to grow and their application becomes more widespread. Here we use the large width Gaussian process limit to analyze the behaviour, at random initialization, of nonlinear activations that induce sparsity in the hidden outputs. A previously unreported form of training instability is proven for arguably two of the most natural candidates for hidden layer sparsification; those being a shifted ReLU (phi(x)=max(0, x-tau) for tauge 0) and soft thresholding (phi(x)=0 for |x|letau and x-sign(x)tau for |x|>tau). We show that this instability is overcome by clipping the nonlinear activation magnitude, at a level prescribed by the shape of the associated Gaussian process variance map. Numerical experiments verify the theory and show that the proposed magnitude clipped sparsifying activations can be trained with training and test fractional sparsity as high as 85\% while retaining close to full accuracy.

Branch-and-bound (BaB) is among the most effective techniques for neural network (NN) verification. However, existing works on BaB for NN verification have mostly focused on NNs with piecewise linear activations, especially ReLU networks. In this paper, we develop a general framework, named GenBaB, to conduct BaB on general nonlinearities to verify NNs with general architectures, based on linear bound propagation for NN verification. To decide which neuron to branch, we design a new branching heuristic which leverages linear bounds as shortcuts to efficiently estimate the potential improvement after branching. To decide nontrivial branching points for general nonlinear functions, we propose to pre-optimize branching points, which can be efficiently leveraged during verification with a lookup table. We demonstrate the effectiveness of our GenBaB on verifying a wide range of NNs, including NNs with activation functions such as Sigmoid, Tanh, Sine and GeLU, as well as NNs involving multi-dimensional nonlinear operations such as multiplications in LSTMs and Vision Transformers. Our framework also allows the verification of general nonlinear computation graphs and enables verification applications beyond simple NNs, particularly for AC Optimal Power Flow (ACOPF). GenBaB is part of the latest alpha,!beta-CROWN, the winner of the 4th and the 5th International Verification of Neural Networks Competition (VNN-COMP 2023 and 2024).

Deep joint source-channel coding (DeepJSCC) transmits data end-to-end over wireless channels using a neural encoder-decoder, but reconstruction quality can degrade sharply under adversarial perturbations and channel disturbances; no method formally bounds this degradation for DeepJSCC. We present the first bound-propagation framework for verifying DeepJSCC's decoder, bounding worst-case reconstruction error over a given wireless channel's noise region. Current deep neural network (DNN) verifiers do not support three DeepJSCC decoder components: parametric rectified linear activations (PReLU), transposed convolutions, and Rayleigh fading. We extend state-of-the-art techniques for optimization of linear relaxation in DNN verification for PReLU, replace the transposed convolution with its restricted upsample-then-convolution form, and formulate Rayleigh fading as a structural perturbation prepended directly into the decoder, thereby reducing the dimensionality of the verification problem. We also instantiate Lipschitz-regularized global robustness training, denoted GloRo, improving global robustness and enabling tight certification of DeepJSCC models for the first time. On DeepJSCC model for image transmission, this global robustness training procedure combined with structural encoding lowers the median certified bound by up to 41% and certifies about ten times more safe cases (192 against 19) than GloRo with interval encoding at a 10-degree error in channel estimation. Over-the-air validation with an orthogonal frequency-division multiplexing (OFDM) implementation on software-defined radio devices confirm the certificate holds on real hardware, with a worst observed error on radio link at 0.082 against a certified bound of 0.128.

Binary neural networks utilize 1-bit quantized weights and activations to reduce both the model's storage demands and computational burden. However, advanced binary architectures still incorporate millions of inefficient and nonhardware-friendly full-precision multiplication operations. A&B BNN is proposed to directly remove part of the multiplication operations in a traditional BNN and replace the rest with an equal number of bit operations, introducing the mask layer and the quantized RPReLU structure based on the normalizer-free network architecture. The mask layer can be removed during inference by leveraging the intrinsic characteristics of BNN with straightforward mathematical transformations to avoid the associated multiplication operations. The quantized RPReLU structure enables more efficient bit operations by constraining its slope to be integer powers of 2. Experimental results achieved 92.30%, 69.35%, and 66.89% on the CIFAR-10, CIFAR-100, and ImageNet datasets, respectively, which are competitive with the state-of-the-art. Ablation studies have verified the efficacy of the quantized RPReLU structure, leading to a 1.14% enhancement on the ImageNet compared to using a fixed slope RLeakyReLU. The proposed add&bit-operation-only BNN offers an innovative approach for hardware-friendly network architecture.

Quantization Aware Training (QAT) is a neural network quantization technique that compresses model size and improves operational efficiency while effectively maintaining model performance. The paradigm of QAT is to introduce fake quantization operators during the training process, allowing the model to autonomously compensate for information loss caused by quantization. Making quantization parameters trainable can significantly improve the performance of QAT, but at the cost of compromising the flexibility during inference, especially when dealing with activation values with substantially different distributions. In this paper, we propose an effective learnable adaptive neural network quantization method, called Adaptive Step Size Quantization (ASQ), to resolve this conflict. Specifically, the proposed ASQ method first dynamically adjusts quantization scaling factors through a trained module capable of accommodating different activations. Then, to address the rigid resolution issue inherent in Power of Two (POT) quantization, we propose an efficient non-uniform quantization scheme. We utilize the Power Of Square root of Two (POST) as the basis for exponential quantization, effectively handling the bell-shaped distribution of neural network weights across various bit-widths while maintaining computational efficiency through a Look-Up Table method (LUT). Extensive experimental results demonstrate that the proposed ASQ method is superior to the state-of-the-art QAT approaches. Notably that the ASQ is even competitive compared to full precision baselines, with its 4-bit quantized ResNet34 model improving accuracy by 1.2\% on ImageNet.

Binary Neural Networks (BNNs) have emerged as a promising solution for reducing the memory footprint and compute costs of deep neural networks. BNNs, on the other hand, suffer from information loss because binary activations are limited to only two values, resulting in reduced accuracy. To improve the accuracy, previous studies have attempted to control the distribution of binary activation by manually shifting the threshold of the activation function or making the shift amount trainable. During the process, they usually depended on statistical information computed from a batch. We argue that using statistical data from a batch fails to capture the crucial information for each input instance in BNN computations, and the differences between statistical information computed from each instance need to be considered when determining the binary activation threshold of each instance. Based on the concept, we propose the Binary Neural Network with INSTAnce-aware threshold (INSTA-BNN), which decides the activation threshold value considering the difference between statistical data computed from a batch and each instance. The proposed INSTA-BNN outperforms the baseline by 2.5% and 2.3% on the ImageNet classification task with comparable computing cost, achieving 68.0% and 71.7% top-1 accuracy on ResNet-18 and MobileNetV1 based models, respectively.

While neural networks have advanced the frontiers in many applications, they often come at a high computational cost. Reducing the power and latency of neural network inference is key if we want to integrate modern networks into edge devices with strict power and compute requirements. Neural network quantization is one of the most effective ways of achieving these savings but the additional noise it induces can lead to accuracy degradation. In this white paper, we introduce state-of-the-art algorithms for mitigating the impact of quantization noise on the network's performance while maintaining low-bit weights and activations. We start with a hardware motivated introduction to quantization and then consider two main classes of algorithms: Post-Training Quantization (PTQ) and Quantization-Aware-Training (QAT). PTQ requires no re-training or labelled data and is thus a lightweight push-button approach to quantization. In most cases, PTQ is sufficient for achieving 8-bit quantization with close to floating-point accuracy. QAT requires fine-tuning and access to labeled training data but enables lower bit quantization with competitive results. For both solutions, we provide tested pipelines based on existing literature and extensive experimentation that lead to state-of-the-art performance for common deep learning models and tasks.

Modern transformers pair impressive capabilities with substantial memory and compute demands. Low-rank weight factorization reduces both while keeping the matrices dense, and thus efficient on standard hardware. Existing methods, however, choose the subspace to remove from each weight matrix with local closed-form criteria: activation energy, layer-wise reconstruction error, or a quadratic approximation of the loss. These criteria ignore how errors propagate through the network, so at high compression the errors compound with depth and performance collapses. We introduce Learnable Subspace Projections (LSP), which instead learns the subspaces to discard end-to-end. Each linear layer, or tied group of layers that read the same activations, is assigned an orthogonal projector. All projectors are optimized jointly against a global objective--the KL divergence to the dense model's output distribution or the model's original training loss--while the pretrained weights remain frozen. Projectors are initialized from a whitened SVD truncation, and ranks are allocated by the output KL each projector induces per parameter saved. After training, the projectors merge into standard low-rank factors, with each tied group sharing one factor. In attention, this also lets the model cache one narrow latent in place of full keys and values. Across LLMs (OPT-125M/1.3B, Qwen3-4B, Llama-2-7B) and ViT-B/16, LSP outperforms baselines, and its advantage widens as compression increases. At -70% compression, LSP brings Llama-2-7B to 10.9 WikiText-2 perplexity and 42.2% mean zero-shot accuracy, versus 13.3 and 36.0% for the strongest baseline. The factorized model decodes up to 1.6x faster than the dense model at small batch sizes, and aching the shared latent shrinks the combined memory of weights and KV cache by 13.5x at a 128k-token context, versus at most 6.5x for untied baseline factorizations.

Neural network training is inherently sensitive to initialization and the randomness induced by stochastic gradient descent. However, it is unclear to what extent such effects lead to meaningfully different networks, either in terms of the models' weights or the underlying functions that were learned. In this work, we show that during the initial "chaotic" phase of training, even extremely small perturbations reliably causes otherwise identical training trajectories to diverge-an effect that diminishes rapidly over training time. We quantify this divergence through (i) L^2 distance between parameters, (ii) the loss barrier when interpolating between networks, (iii) L^2 and barrier between parameters after permutation alignment, and (iv) representational similarity between intermediate activations; revealing how perturbations across different hyperparameter or fine-tuning settings drive training trajectories toward distinct loss minima. Our findings provide insights into neural network training stability, with practical implications for fine-tuning, model merging, and diversity of model ensembles.

This paper introduces the Univariate Gaussian Mixture Model Neural Network (uGMM-NN), a novel neural architecture that embeds probabilistic reasoning directly into the computational units of deep networks. Unlike traditional neurons, which apply weighted sums followed by fixed nonlinearities, each uGMM-NN node parameterizes its activations as a univariate Gaussian mixture, with learnable means, variances, and mixing coefficients. This design enables richer representations by capturing multimodality and uncertainty at the level of individual neurons, while retaining the scalability of standard feedforward networks. We demonstrate that uGMM-NN can achieve competitive discriminative performance compared to conventional multilayer perceptrons, while additionally offering a probabilistic interpretation of activations. The proposed framework provides a foundation for integrating uncertainty-aware components into modern neural architectures, opening new directions for both discriminative and generative modeling.

We consider the problem of learning a target function corresponding to a single hidden layer neural network, with a quadratic activation function after the first layer, and random weights. We consider the asymptotic limit where the input dimension and the network width are proportionally large. Recent work [Cui & al '23] established that linear regression provides Bayes-optimal test error to learn such a function when the number of available samples is only linear in the dimension. That work stressed the open challenge of theoretically analyzing the optimal test error in the more interesting regime where the number of samples is quadratic in the dimension. In this paper, we solve this challenge for quadratic activations and derive a closed-form expression for the Bayes-optimal test error. We also provide an algorithm, that we call GAMP-RIE, which combines approximate message passing with rotationally invariant matrix denoising, and that asymptotically achieves the optimal performance. Technically, our result is enabled by establishing a link with recent works on optimal denoising of extensive-rank matrices and on the ellipsoid fitting problem. We further show empirically that, in the absence of noise, randomly-initialized gradient descent seems to sample the space of weights, leading to zero training loss, and averaging over initialization leads to a test error equal to the Bayes-optimal one.

Recent advancements have scaled neural networks to unprecedented sizes, achieving remarkable performance across a wide range of tasks. However, deploying these large-scale models on resource-constrained devices poses significant challenges due to substantial storage and computational requirements. Neural network pruning has emerged as an effective technique to mitigate these limitations by reducing model size and complexity. In this paper, we introduce an intuitive and interpretable pruning method based on activation statistics, rooted in information theory and statistical analysis. Our approach leverages the statistical properties of neuron activations to identify and remove weights with minimal contributions to neuron outputs. Specifically, we build a distribution of weight contributions across the dataset and utilize its parameters to guide the pruning process. Furthermore, we propose a Pruning-aware Training strategy that incorporates an additional regularization term to enhance the effectiveness of our pruning method. Extensive experiments on multiple datasets and network architectures demonstrate that our method consistently outperforms several baseline and state-of-the-art pruning techniques.

While the evaluation of explanations is an important step towards trustworthy models, it needs to be done carefully, and the employed metrics need to be well-understood. Specifically model randomization testing is often overestimated and regarded as a sole criterion for selecting or discarding certain explanation methods. To address shortcomings of this test, we start by observing an experimental gap in the ranking of explanation methods between randomization-based sanity checks [1] and model output faithfulness measures (e.g. [25]). We identify limitations of model-randomization-based sanity checks for the purpose of evaluating explanations. Firstly, we show that uninformative attribution maps created with zero pixel-wise covariance easily achieve high scores in this type of checks. Secondly, we show that top-down model randomization preserves scales of forward pass activations with high probability. That is, channels with large activations have a high probility to contribute strongly to the output, even after randomization of the network on top of them. Hence, explanations after randomization can only be expected to differ to a certain extent. This explains the observed experimental gap. In summary, these results demonstrate the inadequacy of model-randomization-based sanity checks as a criterion to rank attribution methods.

To accelerate the inference of deep neural networks (DNNs), quantization with low-bitwidth numbers is actively researched. A prominent challenge is to quantize the DNN models into low-bitwidth numbers without significant accuracy degradation, especially at very low bitwidths (< 8 bits). This work targets an adaptive data representation with variable-length encoding called DyBit. DyBit can dynamically adjust the precision and range of separate bit-field to be adapted to the DNN weights/activations distribution. We also propose a hardware-aware quantization framework with a mixed-precision accelerator to trade-off the inference accuracy and speedup. Experimental results demonstrate that the inference accuracy via DyBit is 1.997% higher than the state-of-the-art at 4-bit quantization, and the proposed framework can achieve up to 8.1x speedup compared with the original model.

The input space of a neural network with ReLU-like activations is partitioned into multiple linear regions, each corresponding to a specific activation pattern of the included ReLU-like activations. We demonstrate that this partition exhibits the following encoding properties across a variety of deep learning models: (1) {\it determinism}: almost every linear region contains at most one training example. We can therefore represent almost every training example by a unique activation pattern, which is parameterized by a {\it neural code}; and (2) {\it categorization}: according to the neural code, simple algorithms, such as K-Means, K-NN, and logistic regression, can achieve fairly good performance on both training and test data. These encoding properties surprisingly suggest that {\it normal neural networks well-trained for classification behave as hash encoders without any extra efforts.} In addition, the encoding properties exhibit variability in different scenarios. {Further experiments demonstrate that {\it model size}, {\it training time}, {\it training sample size}, {\it regularization}, and {\it label noise} contribute in shaping the encoding properties, while the impacts of the first three are dominant.} We then define an {\it activation hash phase chart} to represent the space expanded by {model size}, training time, training sample size, and the encoding properties, which is divided into three canonical regions: {\it under-expressive regime}, {\it critically-expressive regime}, and {\it sufficiently-expressive regime}. The source code package is available at https://github.com/LeavesLei/activation-code.

Deep neural networks are known to exhibit a spectral learning bias, wherein low-frequency components are learned early in training, while high-frequency modes emerge more gradually in later epochs. However, when the target signal lacks low-frequency components and is dominated by broadband high frequencies, training suffers from a 'spectral bottleneck', and the model fails to reconstruct the entire signal, including the frequency components that lie within the network's representational capacity. We examine such a scenario in the context of implicit neural representations (INRs) with sinusoidal representation networks (SIRENs), focusing on the challenge of fitting high-frequency-dominant signals that are susceptible to spectral bottleneck. To effectively fit any target signal irrespective of it's frequency content, we propose a generalized target-aware 'weight perturbation scheme' (WINNER - weight initialization with noise for neural representations) for network initialization. The scheme perturbs uniformly initialized weights with Gaussian noise, where the noise scales are adaptively determined by the spectral centroid of the target signal. We show that the noise scales can provide control over the spectra of network activations and the eigenbasis of the empirical neural tangent kernel. This method not only addresses the spectral bottleneck but also yields faster convergence and with improved representation accuracy, outperforming state-of-the-art approaches in audio fitting and achieving notable gains in image fitting and denoising tasks. Beyond signal reconstruction, our approach opens new directions for adaptive weight initialization strategies in computer vision and scientific machine learning.

The fields of explainable AI and mechanistic interpretability aim to uncover the internal structure of neural networks, with circuit discovery as a central tool for understanding model computations. Existing approaches, however, rely on manual inspection and remain limited to toy tasks. Automated interpretability offers scalability by analyzing isolated features and their activations, but it often misses interactions between features and depends strongly on external LLMs and dataset quality. Transcoders have recently made it possible to separate feature attributions into input-dependent and input-invariant components, providing a foundation for more systematic circuit analysis. Building on this, we propose WeightLens and CircuitLens, two complementary methods that go beyond activation-based analysis. WeightLens interprets features directly from their learned weights, removing the need for explainer models or datasets while matching or exceeding the performance of existing methods on context-independent features. CircuitLens captures how feature activations arise from interactions between components, revealing circuit-level dynamics that activation-only approaches cannot identify. Together, these methods increase interpretability robustness and enhance scalable mechanistic analysis of circuits while maintaining efficiency and quality.

Person re-identification (person re-ID) is mostly viewed as an image retrieval problem. This task aims to search a query person in a large image pool. In practice, person re-ID usually adopts automatic detectors to obtain cropped pedestrian images. However, this process suffers from two types of detector errors: excessive background and part missing. Both errors deteriorate the quality of pedestrian alignment and may compromise pedestrian matching due to the position and scale variances. To address the misalignment problem, we propose that alignment can be learned from an identification procedure. We introduce the pedestrian alignment network (PAN) which allows discriminative embedding learning and pedestrian alignment without extra annotations. Our key observation is that when the convolutional neural network (CNN) learns to discriminate between different identities, the learned feature maps usually exhibit strong activations on the human body rather than the background. The proposed network thus takes advantage of this attention mechanism to adaptively locate and align pedestrians within a bounding box. Visual examples show that pedestrians are better aligned with PAN. Experiments on three large-scale re-ID datasets confirm that PAN improves the discriminative ability of the feature embeddings and yields competitive accuracy with the state-of-the-art methods.

Latest insights from biology show that intelligence not only emerges from the connections between neurons but that individual neurons shoulder more computational responsibility than previously anticipated. This perspective should be critical in the context of constantly changing distinct reinforcement learning environments, yet current approaches still primarily employ static activation functions. In this work, we motivate why rationals are suitable for adaptable activation functions and why their inclusion into neural networks is crucial. Inspired by recurrence in residual networks, we derive a condition under which rational units are closed under residual connections and formulate a naturally regularised version: the recurrent-rational. We demonstrate that equipping popular algorithms with (recurrent-)rational activations leads to consistent improvements on Atari games, especially turning simple DQN into a solid approach, competitive to DDQN and Rainbow.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

Recently, semidefinite programming (SDP) techniques have shown great promise in providing accurate Lipschitz bounds for neural networks. Specifically, the LipSDP approach (Fazlyab et al., 2019) has received much attention and provides the least conservative Lipschitz upper bounds that can be computed with polynomial time guarantees. However, one main restriction of LipSDP is that its formulation requires the activation functions to be slope-restricted on [0,1], preventing its further use for more general activation functions such as GroupSort, MaxMin, and Householder. One can rewrite MaxMin activations for example as residual ReLU networks. However, a direct application of LipSDP to the resultant residual ReLU networks is conservative and even fails in recovering the well-known fact that the MaxMin activation is 1-Lipschitz. Our paper bridges this gap and extends LipSDP beyond slope-restricted activation functions. To this end, we provide novel quadratic constraints for GroupSort, MaxMin, and Householder activations via leveraging their underlying properties such as sum preservation. Our proposed analysis is general and provides a unified approach for estimating ell_2 and ell_infty Lipschitz bounds for a rich class of neural network architectures, including non-residual and residual neural networks and implicit models, with GroupSort, MaxMin, and Householder activations. Finally, we illustrate the utility of our approach with a variety of experiments and show that our proposed SDPs generate less conservative Lipschitz bounds in comparison to existing approaches.

Symbolic regression (SR) aims to discover closed-form mathematical expressions that accurately describe data, offering interpretability and analytical insight beyond standard black-box models. Existing SR methods often rely on population-based search or autoregressive modeling, which struggle with scalability and symbolic consistency. We introduce LIES (Logarithm, Identity, Exponential, Sine), a fixed neural network architecture with interpretable primitive activations that are optimized to model symbolic expressions. We develop a framework to extract compact formulae from LIES networks by training with an appropriate oversampling strategy and a tailored loss function to promote sparsity and to prevent gradient instability. After training, it applies additional pruning strategies to further simplify the learned expressions into compact formulae. Our experiments on SR benchmarks show that the LIES framework consistently produces sparse and accurate symbolic formulae outperforming all baselines. We also demonstrate the importance of each design component through ablation studies.

Deep neural networks are susceptible to adversarial attacks due to the accumulation of perturbations in the feature level, and numerous works have boosted model robustness by deactivating the non-robust feature activations that cause model mispredictions. However, we claim that these malicious activations still contain discriminative cues and that with recalibration, they can capture additional useful information for correct model predictions. To this end, we propose a novel, easy-to-plugin approach named Feature Separation and Recalibration (FSR) that recalibrates the malicious, non-robust activations for more robust feature maps through Separation and Recalibration. The Separation part disentangles the input feature map into the robust feature with activations that help the model make correct predictions and the non-robust feature with activations that are responsible for model mispredictions upon adversarial attack. The Recalibration part then adjusts the non-robust activations to restore the potentially useful cues for model predictions. Extensive experiments verify the superiority of FSR compared to traditional deactivation techniques and demonstrate that it improves the robustness of existing adversarial training methods by up to 8.57% with small computational overhead. Codes are available at https://github.com/wkim97/FSR.

Sparse autoencoders (SAEs) have emerged as a promising method for interpreting neural network representations by decomposing activations into sparse combinations of dictionary atoms. However, SAEs assume that features combine additively through linear reconstruction, an assumption that cannot capture compositional structure: linear models cannot distinguish whether "Starbucks" arises from the composition of "star" and "coffee" features or merely their co-occurrence. This forces SAEs to allocate monolithic features for compound concepts rather than decomposing them into interpretable constituents. We introduce PolySAE, which extends the SAE decoder with higher-order terms to model feature interactions while preserving the linear encoder essential for interpretability. Through low-rank tensor factorization on a shared projection subspace, PolySAE captures pairwise and triple feature interactions with small parameter overhead (3% on GPT2). Across four language models and three SAE variants, PolySAE achieves an average improvement of approximately 8% in probing F1 while maintaining comparable reconstruction error, and produces 2-10times larger Wasserstein distances between class-conditional feature distributions. Critically, learned interaction weights exhibit negligible correlation with co-occurrence frequency (r = 0.06 vs. r = 0.82 for SAE feature covariance), suggesting that polynomial terms capture compositional structure, such as morphological binding and phrasal composition, largely independent of surface statistics.

Sparse Autoencoders (SAEs) have emerged as a promising approach for interpreting neural network representations by learning sparse, human-interpretable features from dense activations. We investigate whether incorporating variational methods into SAE architectures can improve feature organization and interpretability. We introduce the Variational Sparse Autoencoder (vSAE), which replaces deterministic ReLU gating with stochastic sampling from learned Gaussian posteriors and incorporates KL divergence regularization toward a standard normal prior. Our hypothesis is that this probabilistic sampling creates dispersive pressure, causing features to organize more coherently in the latent space while avoiding overlap. We evaluate a TopK vSAE against a standard TopK SAE on Pythia-70M transformer residual stream activations using comprehensive benchmarks including SAE Bench, individual feature interpretability analysis, and global latent space visualization through t-SNE. The vSAE underperforms standard SAE across core evaluation metrics, though excels at feature independence and ablation metrics. The KL divergence term creates excessive regularization pressure that substantially reduces the fraction of living features, leading to observed performance degradation. While vSAE features demonstrate improved robustness, they exhibit many more dead features than baseline. Our findings suggest that naive application of variational methods to SAEs does not improve feature organization or interpretability.

Low-bit quantization is challenging to maintain high performance with limited model capacity (e.g., 4-bit for both weights and activations). Naturally, the distribution of both weights and activations in deep neural network are Gaussian-like. Nevertheless, due to the limited bitwidth of low-bit model, uniform-like distributed weights and activations have been proved to be more friendly to quantization while preserving accuracy~Han2015Learning. Motivated by this, we propose Scale-Clip, a Distribution Reshaping technique that can reshape weights or activations into a uniform-like distribution in a dynamic manner. Furthermore, to increase the model capability for a low-bit model, a novel Group-based Quantization algorithm is proposed to split the filters into several groups. Different groups can learn different quantization parameters, which can be elegantly merged in to batch normalization layer without extra computational cost in the inference stage. Finally, we integrate Scale-Clip technique with Group-based Quantization algorithm and propose the Group-based Distribution Reshaping Quantization (GDQR) framework to further improve the quantization performance. Experiments on various networks (e.g. VGGNet and ResNet) and vision tasks (e.g. classification, detection and segmentation) demonstrate that our framework achieves good performance.

Training a high-quality deep neural network requires choosing suitable hyperparameters, which is a non-trivial and expensive process. Current works try to automatically optimize or design principles of hyperparameters, such that they can generalize to diverse unseen scenarios. However, most designs or optimization methods are agnostic to the choice of network structures, and thus largely ignore the impact of neural architectures on hyperparameters. In this work, we precisely characterize the dependence of initializations and maximal learning rates on the network architecture, which includes the network depth, width, convolutional kernel size, and connectivity patterns. By pursuing every parameter to be maximally updated with the same mean squared change in pre-activations, we can generalize our initialization and learning rates across MLPs (multi-layer perception) and CNNs (convolutional neural network) with sophisticated graph topologies. We verify our principles with comprehensive experiments. More importantly, our strategy further sheds light on advancing current benchmarks for architecture design. A fair comparison of AutoML algorithms requires accurate network rankings. However, we demonstrate that network rankings can be easily changed by better training networks in benchmarks with our architecture-aware learning rates and initialization.

Over the past decade, predictive modeling of neural responses in the primate visual system has advanced significantly, largely driven by various DNN approaches. These include models optimized directly for visual recognition, cross-modal alignment through contrastive objectives, neural response prediction from scratch, and large language model embeddings.Likewise, different readout mechanisms, ranging from fully linear to spatial-feature factorized methods have been explored for mapping network activations to neural responses. Despite the diversity of these approaches, it remains unclear which method performs best across different visual regions. In this study, we systematically compare these approaches for modeling the human visual system and investigate alternative strategies to improve response predictions. Our findings reveal that for early to mid-level visual areas, response-optimized models with visual inputs offer superior prediction accuracy, while for higher visual regions, embeddings from LLMs based on detailed contextual descriptions of images and task-optimized models pretrained on large vision datasets provide the best fit. Through comparative analysis of these modeling approaches, we identified three distinct regions in the visual cortex: one sensitive primarily to perceptual features of the input that are not captured by linguistic descriptions, another attuned to fine-grained visual details representing semantic information, and a third responsive to abstract, global meanings aligned with linguistic content. We also highlight the critical role of readout mechanisms, proposing a novel scheme that modulates receptive fields and feature maps based on semantic content, resulting in an accuracy boost of 3-23% over existing SOTAs for all models and brain regions. Together, these findings offer key insights into building more precise models of the visual system.

In recent years, unmanned aerial vehicles (UAVs) equipped with imaging sensors and automated processing algorithms have emerged as a promising tool to accelerate large-area surveys while reducing risk to human operators. Although hyperspectral imaging (HSI) enables material discrimination using spectral signatures, standardized benchmarks for UAV-based landmine detection remain scarce. In this work, we present a systematic benchmark of four classical statistical detection algorithms, including Spectral Angle Mapper (SAM), Matched Filter (MF), Adaptive Cosine Estimator (ACE), and Constrained Energy Minimization (CEM), alongside a proposed lightweight Spectral Neural Network utilizing Parametric Mish activations for PFM-1 landmine detection. We also release pixel-level binary ground truth masks (target/background) to enable standardized, reproducible evaluation. Evaluations were conducted on inert PFM-1 targets across multiple scene crops using a recently released VNIR hyperspectral dataset. Metrics such as receiver operating characteristic (ROC) curve, area under the curve (AUC), precision-recall (PR) curve, and average precision (AP) were used. While all methods achieve high ROC-AUC on an independent test set, the ACE method observes the highest AUC of 0.989. However, because target pixels are extremely sparse relative to background, ROC-AUC alone can be misleading; under precision-focused evaluation (PR and AP), the Spectral-NN outperforms classical detectors, achieving the highest AP. These results emphasize the need for precision-focused evaluation, scene-aware benchmarking, and learning-based spectral models for reliable UAV-based hyperspectral landmine detection. The code and pixel-level annotations will be released.

Low-bit quantization of network weights and activations can drastically reduce the memory footprint, complexity, energy consumption and latency of Deep Neural Networks (DNNs). However, low-bit quantization can also cause a considerable drop in accuracy, in particular when we apply it to complex learning tasks or lightweight DNN architectures. In this paper, we propose a training procedure that relaxes the low-bit quantization. We call this procedure DNN Quantization with Attention (DQA). The relaxation is achieved by using a learnable linear combination of high, medium and low-bit quantizations. Our learning procedure converges step by step to a low-bit quantization using an attention mechanism with temperature scheduling. In experiments, our approach outperforms other low-bit quantization techniques on various object recognition benchmarks such as CIFAR10, CIFAR100 and ImageNet ILSVRC 2012, achieves almost the same accuracy as a full precision DNN, and considerably reduces the accuracy drop when quantizing lightweight DNN architectures.

Implicit neural representations (INRs) use neural networks to provide continuous and resolution-independent representations of complex signals with a small number of parameters. However, existing INR models often fail to capture important frequency components specific to each task. To address this issue, in this paper, we propose a Fourier Kolmogorov Arnold network (FKAN) for INRs. The proposed FKAN utilizes learnable activation functions modeled as Fourier series in the first layer to effectively control and learn the task-specific frequency components. In addition, the activation functions with learnable Fourier coefficients improve the ability of the network to capture complex patterns and details, which is beneficial for high-resolution and high-dimensional data. Experimental results show that our proposed FKAN model outperforms three state-of-the-art baseline schemes, and improves the peak signal-to-noise ratio (PSNR) and structural similarity index measure (SSIM) for the image representation task and intersection over union (IoU) for the 3D occupancy volume representation task, respectively.

Recent latent-space monitoring techniques have shown promise as defenses against LLM attacks. These defenses act as scanners that seek to detect harmful activations before they lead to undesirable actions. This prompts the question: Can models execute harmful behavior via inconspicuous latent states? Here, we study such obfuscated activations. We show that state-of-the-art latent-space defenses -- including sparse autoencoders, representation probing, and latent OOD detection -- are all vulnerable to obfuscated activations. For example, against probes trained to classify harmfulness, our attacks can often reduce recall from 100% to 0% while retaining a 90% jailbreaking rate. However, obfuscation has limits: we find that on a complex task (writing SQL code), obfuscation reduces model performance. Together, our results demonstrate that neural activations are highly malleable: we can reshape activation patterns in a variety of ways, often while preserving a network's behavior. This poses a fundamental challenge to latent-space defenses.

Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow and, therefore cannot exploit many levels of abstract representations. We introduce self-normalizing neural networks (SNNs) to enable high-level abstract representations. While batch normalization requires explicit normalization, neuron activations of SNNs automatically converge towards zero mean and unit variance. The activation function of SNNs are "scaled exponential linear units" (SELUs), which induce self-normalizing properties. Using the Banach fixed-point theorem, we prove that activations close to zero mean and unit variance that are propagated through many network layers will converge towards zero mean and unit variance -- even under the presence of noise and perturbations. This convergence property of SNNs allows to (1) train deep networks with many layers, (2) employ strong regularization, and (3) to make learning highly robust. Furthermore, for activations not close to unit variance, we prove an upper and lower bound on the variance, thus, vanishing and exploding gradients are impossible. We compared SNNs on (a) 121 tasks from the UCI machine learning repository, on (b) drug discovery benchmarks, and on (c) astronomy tasks with standard FNNs and other machine learning methods such as random forests and support vector machines. SNNs significantly outperformed all competing FNN methods at 121 UCI tasks, outperformed all competing methods at the Tox21 dataset, and set a new record at an astronomy data set. The winning SNN architectures are often very deep. Implementations are available at: github.com/bioinf-jku/SNNs.

We introduce the novel concept of anti-transfer learning for speech processing with convolutional neural networks. While transfer learning assumes that the learning process for a target task will benefit from re-using representations learned for another task, anti-transfer avoids the learning of representations that have been learned for an orthogonal task, i.e., one that is not relevant and potentially misleading for the target task, such as speaker identity for speech recognition or speech content for emotion recognition. In anti-transfer learning, we penalize similarity between activations of a network being trained and another one previously trained on an orthogonal task, which yields more suitable representations. This leads to better generalization and provides a degree of control over correlations that are spurious or undesirable, e.g. to avoid social bias. We have implemented anti-transfer for convolutional neural networks in different configurations with several similarity metrics and aggregation functions, which we evaluate and analyze with several speech and audio tasks and settings, using six datasets. We show that anti-transfer actually leads to the intended invariance to the orthogonal task and to more appropriate features for the target task at hand. Anti-transfer learning consistently improves classification accuracy in all test cases. While anti-transfer creates computation and memory cost at training time, there is relatively little computation cost when using pre-trained models for orthogonal tasks. Anti-transfer is widely applicable and particularly useful where a specific invariance is desirable or where trained models are available and labeled data for orthogonal tasks are difficult to obtain.

We present a unified representation of the most popular neural network activation functions. Adopting Mittag-Leffler functions of fractional calculus, we propose a flexible and compact functional form that is able to interpolate between various activation functions and mitigate common problems in training neural networks such as vanishing and exploding gradients. The presented gated representation extends the scope of fixed-shape activation functions to their adaptive counterparts whose shape can be learnt from the training data. The derivatives of the proposed functional form can also be expressed in terms of Mittag-Leffler functions making it a suitable candidate for gradient-based backpropagation algorithms. By training multiple neural networks of different complexities on various datasets with different sizes, we demonstrate that adopting a unified gated representation of activation functions offers a promising and affordable alternative to individual built-in implementations of activation functions in conventional machine learning frameworks.

We develop analytical and particle-based methods for uncertainty propagation in random neural network models, where both the inputs and network parameters are allowed to be random. Building on the piecewise-linear structure of the Leaky ReLU activation function, we derive a local approximation of the neural network output with respect to perturbations in both its inputs and parameters. This approximation is exact for perturbations that preserve the network activation pattern, and it allows us to compute analytical expressions for the probability density function and characteristic function of the network output, together with closed-form approximations for its mean and covariance. We extend this uncertainty propagation framework to autonomous dynamical systems whose one-step evolution map is represented by a random neural network. Repeated application of this map defines an autoregressive model, for which we derive recursive equations to propagate uncertainty in both the state and network parameters over time. These equations explicitly account for the state-parameter cross-covariance that develops under successive iterations of the network. Numerical experiments on the Lorenz-63 system and the Kuramoto-Sivashinsky equation demonstrate accurate uncertainty propagation through the predictability horizon and the applicability of the proposed framework to high-dimensional dynamical systems.

Transfer learning approaches have shown to significantly improve performance on downstream tasks. However, it is common for prior works to only report where transfer learning was beneficial, ignoring the significant trial-and-error required to find effective settings for transfer. Indeed, not all task combinations lead to performance benefits, and brute-force searching rapidly becomes computationally infeasible. Hence the question arises, can we predict whether transfer between two tasks will be beneficial without actually performing the experiment? In this paper, we leverage explainability techniques to effectively predict whether task pairs will be complementary, through comparison of neural network activation between single-task models. In this way, we can avoid grid-searches over all task and hyperparameter combinations, dramatically reducing the time needed to find effective task pairs. Our results show that, through this approach, it is possible to reduce training time by up to 83.5% at a cost of only 0.034 reduction in positive-class F1 on the TREC-IS 2020-A dataset.

Sparse autoencoders (SAEs) have emerged as a powerful technique for extracting human-interpretable features from neural networks activations. Previous works compared different models based on SAE-derived features but those comparisons have been restricted to models within the same modality. We propose a novel indicator allowing quantitative comparison of models across SAE features, and use it to conduct a comparative study of visual, textual and multimodal encoders. We also propose to quantify the Comparative Sharedness of individual features between different classes of models. With these two new tools, we conduct several studies on 21 encoders of the three types, with two significantly different sizes, and considering generalist and domain specific datasets. The results allow to revisit previous studies at the light of encoders trained in a multimodal context and to quantify to which extent all these models share some representations or features. They also suggest that visual features that are specific to VLMs among vision encoders are shared with text encoders, highlighting the impact of text pretraining. The code is available at https://github.com/CEA-LIST/SAEshareConcepts

We propose the Gaussian Error Linear Unit (GELU), a high-performing neural network activation function. The GELU activation function is xPhi(x), where Phi(x) the standard Gaussian cumulative distribution function. The GELU nonlinearity weights inputs by their value, rather than gates inputs by their sign as in ReLUs (x1_{x>0}). We perform an empirical evaluation of the GELU nonlinearity against the ReLU and ELU activations and find performance improvements across all considered computer vision, natural language processing, and speech tasks.

Power transforms, such as the Box-Cox transform and Tukey's ladder of powers, are a fundamental tool in mathematics and statistics. These transforms are primarily used for normalizing and standardizing datasets, effectively by raising values to a power. In this work I present a novel power transform, and I show that it serves as a unifying framework for wide family of loss functions, kernel functions, probability distributions, bump functions, and neural network activation functions.

A proper initialization of the weights in a neural network is critical to its convergence. Current insights into weight initialization come primarily from linear activation functions. In this paper, I develop a theory for weight initializations with non-linear activations. First, I derive a general weight initialization strategy for any neural network using activation functions differentiable at 0. Next, I derive the weight initialization strategy for the Rectified Linear Unit (RELU), and provide theoretical insights into why the Xavier initialization is a poor choice with RELU activations. My analysis provides a clear demonstration of the role of non-linearities in determining the proper weight initializations.

We consider an existing conjecture addressing the asymptotic behavior of neural networks in the large width limit. The results that follow from this conjecture include tight bounds on the behavior of wide networks during stochastic gradient descent, and a derivation of their finite-width dynamics. We prove the conjecture for deep networks with polynomial activation functions, greatly extending the validity of these results. Finally, we point out a difference in the asymptotic behavior of networks with analytic (and non-linear) activation functions and those with piecewise-linear activations such as ReLU.

Conventional wisdom suggests that neural network predictions tend to be unpredictable and overconfident when faced with out-of-distribution (OOD) inputs. Our work reassesses this assumption for neural networks with high-dimensional inputs. Rather than extrapolating in arbitrary ways, we observe that neural network predictions often tend towards a constant value as input data becomes increasingly OOD. Moreover, we find that this value often closely approximates the optimal constant solution (OCS), i.e., the prediction that minimizes the average loss over the training data without observing the input. We present results showing this phenomenon across 8 datasets with different distributional shifts (including CIFAR10-C and ImageNet-R, S), different loss functions (cross entropy, MSE, and Gaussian NLL), and different architectures (CNNs and transformers). Furthermore, we present an explanation for this behavior, which we first validate empirically and then study theoretically in a simplified setting involving deep homogeneous networks with ReLU activations. Finally, we show how one can leverage our insights in practice to enable risk-sensitive decision-making in the presence of OOD inputs.

We show that feedforward neural networks with ReLU activation generalize on low complexity data, suitably defined. Given i.i.d. data generated from a simple programming language, the minimum description length (MDL) feedforward neural network which interpolates the data generalizes with high probability. We define this simple programming language, along with a notion of description length of such networks. We provide several examples on basic computational tasks, such as checking primality of a natural number, and more. For primality testing, our theorem shows the following. Suppose that we draw an i.i.d. sample of Theta(N^{delta}ln N) numbers uniformly at random from 1 to N, where deltain (0,1). For each number x_i, let y_i = 1 if x_i is a prime and 0 if it is not. Then with high probability, the MDL network fitted to this data accurately answers whether a newly drawn number between 1 and N is a prime or not, with test error leq O(N^{-delta}). Note that the network is not designed to detect primes; minimum description learning discovers a network which does so.

In this manuscript, we show that any neural network with any activation function can be represented as a decision tree. The representation is equivalence and not an approximation, thus keeping the accuracy of the neural network exactly as is. We believe that this work provides better understanding of neural networks and paves the way to tackle their black-box nature. We share equivalent trees of some neural networks and show that besides providing interpretability, tree representation can also achieve some computational advantages for small networks. The analysis holds both for fully connected and convolutional networks, which may or may not also include skip connections and/or normalizations.

Which functions can be used as activations in deep neural networks? This article explores families of functions based on orthonormal bases, including the Hermite polynomial basis and the Fourier trigonometric basis, as well as a basis resulting from the tropicalization of a polynomial basis. Our study shows that, through simple variance-preserving initialization and without additional clamping mechanisms, these activations can successfully be used to train deep models, such as GPT-2 for next-token prediction on OpenWebText and ConvNeXt for image classification on ImageNet. Our work addresses the issue of exploding and vanishing activations and gradients, particularly prevalent with polynomial activations, and opens the door for improving the efficiency of large-scale learning tasks. Furthermore, our approach provides insight into the structure of neural networks, revealing that networks with polynomial activations can be interpreted as multivariate polynomial mappings. Finally, using Hermite interpolation, we show that our activations can closely approximate classical ones in pre-trained models by matching both the function and its derivative, making them especially useful for fine-tuning tasks. These activations are available in the torchortho library, which can be accessed via: https://github.com/K-H-Ismail/torchortho.

This paper demonstrates that a single-layer neural network using Parametric Rectified Linear Unit (PReLU) activation can solve the XOR problem, a simple fact that has been overlooked so far. We compare this solution to the multi-layer perceptron (MLP) and the Growing Cosine Unit (GCU) activation function and explain why PReLU enables this capability. Our results show that the single-layer PReLU network can achieve 100\% success rate in a wider range of learning rates while using only three learnable parameters.

In this work, we demonstrate that a simple two-layer neural network with standard activation functions can learn an arbitrary word operation in any finite group, provided sufficient width is available and exhibits grokking while doing so. To explain the mechanism by which this is achieved, we reframe the problem as that of learning a particular 3-tensor, which we show is typically of low rank. A key insight is that low-rank implementations of this tensor can be obtained by decomposing it along triplets of basic self-conjugate representations of the group and leveraging the fusion structure to rule out many components. Focusing on a phenomenologically similar but more tractable surrogate model, we show that the network is able to find such low-rank implementations (or approximations thereof), thereby using limited width to approximate the word-tensor in a generalizable way. In the case of the simple multiplication word, we further elucidate the form of these low-rank implementations, showing that the network effectively implements efficient matrix multiplication in the sense of Strassen. Our work also sheds light on the mechanism by which a network reaches such a solution under gradient descent.

Neural networks have proven to be a highly effective tool for solving complex problems in many areas of life. Recently, their importance and practical usability have further been reinforced with the advent of deep learning. One of the important conditions for the success of neural networks is the choice of an appropriate activation function introducing non-linearity into the model. Many types of these functions have been proposed in the literature in the past, but there is no single comprehensive source containing their exhaustive overview. The absence of this overview, even in our experience, leads to redundancy and the unintentional rediscovery of already existing activation functions. To bridge this gap, our paper presents an extensive survey involving 400 activation functions, which is several times larger in scale than previous surveys. Our comprehensive compilation also references these surveys; however, its main goal is to provide the most comprehensive overview and systematization of previously published activation functions with links to their original sources. The secondary aim is to update the current understanding of this family of functions.

Graph Neural Networks (GNNs) have demonstrated remarkable success in various domains such as social networks, molecular chemistry, and more. A crucial component of GNNs is the pooling procedure, in which the node features calculated by the model are combined to form an informative final descriptor to be used for the downstream task. However, previous graph pooling schemes rely on the last GNN layer features as an input to the pooling or classifier layers, potentially under-utilizing important activations of previous layers produced during the forward pass of the model, which we regard as historical graph activations. This gap is particularly pronounced in cases where a node's representation can shift significantly over the course of many graph neural layers, and worsened by graph-specific challenges such as over-smoothing in deep architectures. To bridge this gap, we introduce HISTOGRAPH, a novel two-stage attention-based final aggregation layer that first applies a unified layer-wise attention over intermediate activations, followed by node-wise attention. By modeling the evolution of node representations across layers, our HISTOGRAPH leverages both the activation history of nodes and the graph structure to refine features used for final prediction. Empirical results on multiple graph classification benchmarks demonstrate that HISTOGRAPH offers strong performance that consistently improves traditional techniques, with particularly strong robustness in deep GNNs.

We propose the Swish-T family, an enhancement of the existing non-monotonic activation function Swish. Swish-T is defined by adding a Tanh bias to the original Swish function. This modification creates a family of Swish-T variants, each designed to excel in different tasks, showcasing specific advantages depending on the application context. The Tanh bias allows for broader acceptance of negative values during initial training stages, offering a smoother non-monotonic curve than the original Swish. We ultimately propose the Swish-T_{C} function, while Swish-T and Swish-T_{B}, byproducts of Swish-T_{C}, also demonstrate satisfactory performance. Furthermore, our ablation study shows that using Swish-T_{C} as a non-parametric function can still achieve high performance. The superiority of the Swish-T family has been empirically demonstrated across various models and benchmark datasets, including MNIST, Fashion MNIST, SVHN, CIFAR-10, and CIFAR-100. The code is publicly available at https://github.com/ictseoyoungmin/Swish-T-pytorch.

It is often useful to compactly summarize important properties of model parameters and training data so that they can be used later without storing and/or iterating over the entire dataset. As a specific case, we consider estimating the Function Space Distance (FSD) over a training set, i.e. the average discrepancy between the outputs of two neural networks. We propose a Linearized Activation Function TRick (LAFTR) and derive an efficient approximation to FSD for ReLU neural networks. The key idea is to approximate the architecture as a linear network with stochastic gating. Despite requiring only one parameter per unit of the network, our approach outcompetes other parametric approximations with larger memory requirements. Applied to continual learning, our parametric approximation is competitive with state-of-the-art nonparametric approximations, which require storing many training examples. Furthermore, we show its efficacy in estimating influence functions accurately and detecting mislabeled examples without expensive iterations over the entire dataset.

The training process of neural networks usually optimize weights and bias parameters of linear transformations, while nonlinear activation functions are pre-specified and fixed. This work develops a systematic approach to constructing matrix activation functions whose entries are generalized from ReLU. The activation is based on matrix-vector multiplications using only scalar multiplications and comparisons. The proposed activation functions depend on parameters that are trained along with the weights and bias vectors. Neural networks based on this approach are simple and efficient and are shown to be robust in numerical experiments.

Recent works show that reducing the number of layers in a convolutional neural network can enhance efficiency while maintaining the performance of the network. Existing depth compression methods remove redundant non-linear activation functions and merge the consecutive convolution layers into a single layer. However, these methods suffer from a critical drawback; the kernel size of the merged layers becomes larger, significantly undermining the latency reduction gained from reducing the depth of the network. We show that this problem can be addressed by jointly pruning convolution layers and activation functions. To this end, we propose LayerMerge, a novel depth compression method that selects which activation layers and convolution layers to remove, to achieve a desired inference speed-up while minimizing performance loss. Since the corresponding selection problem involves an exponential search space, we formulate a novel surrogate optimization problem and efficiently solve it via dynamic programming. Empirical results demonstrate that our method consistently outperforms existing depth compression and layer pruning methods on various network architectures, both on image classification and generation tasks. We release the code at https://github.com/snu-mllab/LayerMerge.

Training large neural network (NN) models requires extensive memory resources, and Activation Compressed Training (ACT) is a promising approach to reduce training memory footprint. This paper presents GACT, an ACT framework to support a broad range of machine learning tasks for generic NN architectures with limited domain knowledge. By analyzing a linearized version of ACT's approximate gradient, we prove the convergence of GACT without prior knowledge on operator type or model architecture. To make training stable, we propose an algorithm that decides the compression ratio for each tensor by estimating its impact on the gradient at run time. We implement GACT as a PyTorch library that readily applies to any NN architecture. GACT reduces the activation memory for convolutional NNs, transformers, and graph NNs by up to 8.1x, enabling training with a 4.2x to 24.7x larger batch size, with negligible accuracy loss. We implement GACT as a PyTorch library at https://github.com/LiuXiaoxuanPKU/GACT-ICML.

In recent years, neural networks have enjoyed a renaissance as function approximators in reinforcement learning. Two decades after Tesauro's TD-Gammon achieved near top-level human performance in backgammon, the deep reinforcement learning algorithm DQN achieved human-level performance in many Atari 2600 games. The purpose of this study is twofold. First, we propose two activation functions for neural network function approximation in reinforcement learning: the sigmoid-weighted linear unit (SiLU) and its derivative function (dSiLU). The activation of the SiLU is computed by the sigmoid function multiplied by its input. Second, we suggest that the more traditional approach of using on-policy learning with eligibility traces, instead of experience replay, and softmax action selection with simple annealing can be competitive with DQN, without the need for a separate target network. We validate our proposed approach by, first, achieving new state-of-the-art results in both stochastic SZ-Tetris and Tetris with a small 10times10 board, using TD(λ) learning and shallow dSiLU network agents, and, then, by outperforming DQN in the Atari 2600 domain by using a deep Sarsa(λ) agent with SiLU and dSiLU hidden units.

This paper focuses on over-parameterized deep neural networks (DNNs) with ReLU activation functions and proves that when the data distribution is well-separated, DNNs can achieve Bayes-optimal test error for classification while obtaining (nearly) zero-training error under the lazy training regime. For this purpose, we unify three interrelated concepts of overparameterization, benign overfitting, and the Lipschitz constant of DNNs. Our results indicate that interpolating with smoother functions leads to better generalization. Furthermore, we investigate the special case where interpolating smooth ground-truth functions is performed by DNNs under the Neural Tangent Kernel (NTK) regime for generalization. Our result demonstrates that the generalization error converges to a constant order that only depends on label noise and initialization noise, which theoretically verifies benign overfitting. Our analysis provides a tight lower bound on the normalized margin under non-smooth activation functions, as well as the minimum eigenvalue of NTK under high-dimensional settings, which has its own interest in learning theory.

During inference, Recurrent Neural Networks (RNNs) scale constant in both FLOPs and GPU memory with increasing context length, as they compress all prior tokens into a fixed-size memory. In contrast, transformers scale linearly in FLOPs and, at best, linearly in memory during generation, since they must attend to all previous tokens explicitly. Despite this inference-time advantage, training large RNNs on long contexts remains impractical because standard optimization methods depend on Backpropagation Through Time (BPTT). BPTT requires retention of all intermediate activations during the forward pass, causing memory usage to scale linearly with both context length and model size. In this paper, we show that Zero-Order Optimization (ZOO) methods such as Random-vector Gradient Estimation (RGE) can successfully replace BPTT to train RNNs with convergence rates that match, or exceed BPTT by up to 19 fold, while using orders of magnitude less memory and cost, as the model remains in inference mode throughout training. We further demonstrate that Central-Difference RGE (CD-RGE) corresponds to optimizing a smoothed surrogate loss, inherently regularizing training and improving generalization. Our method matches or outperforms BPTT across three settings: (1) overfitting, (2) transduction, and (3) language modeling. Across all tasks, with sufficient perturbations, our models generalize as well as or better than those trained with BPTT, often in fewer steps. Despite the need for more forward passes per step, we can surpass BPTT wall-clock time per step using recent advancements such as FlashRNN and distributed inference.

Quantized neural networks employ reduced precision representations for both weights and activations. This quantization process significantly reduces the memory requirements and computational complexity of the network. Binary Neural Networks (BNNs) are the extreme quantization case, representing values with just one bit. Since the sign function is typically used to map real values to binary values, smooth approximations are introduced to mimic the gradients during error backpropagation. Thus, the mismatch between the forward and backward models corrupts the direction of the gradient, causing training inconsistency problems and performance degradation. In contrast to current BNN approaches, we propose to employ a binary periodic (BiPer) function during binarization. Specifically, we use a square wave for the forward pass to obtain the binary values and employ the trigonometric sine function with the same period of the square wave as a differentiable surrogate during the backward pass. We demonstrate that this approach can control the quantization error by using the frequency of the periodic function and improves network performance. Extensive experiments validate the effectiveness of BiPer in benchmark datasets and network architectures, with improvements of up to 1% and 0.69% with respect to state-of-the-art methods in the classification task over CIFAR-10 and ImageNet, respectively. Our code is publicly available at https://github.com/edmav4/BiPer.

Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a "periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, x + sin^2(x), which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the ReLU-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.

Activation sparsity improves compute efficiency and resource utilization in sparsity-aware neural network accelerators. As the predominant operation in DNNs is multiply-accumulate (MAC) of activations with weights to compute inner products, skipping operations where (at least) one of the two operands is zero can make inference more efficient in terms of latency and power. Spatial sparsification of activations is a popular topic in DNN literature and several methods have already been established to bias a DNN for it. On the other hand, temporal sparsity is an inherent feature of bio-inspired spiking neural networks (SNNs), which neuromorphic processing exploits for hardware efficiency. Introducing and exploiting spatio-temporal sparsity, is a topic much less explored in DNN literature, but in perfect resonance with the trend in DNN, to shift from static signal processing to more streaming signal processing. Towards this goal, in this paper we introduce a new DNN layer (called Delta Activation Layer), whose sole purpose is to promote temporal sparsity of activations during training. A Delta Activation Layer casts temporal sparsity into spatial activation sparsity to be exploited when performing sparse tensor multiplications in hardware. By employing delta inference and ``the usual'' spatial sparsification heuristics during training, the resulting model learns to exploit not only spatial but also temporal activation sparsity (for a given input data distribution). One may use the Delta Activation Layer either during vanilla training or during a refinement phase. We have implemented Delta Activation Layer as an extension of the standard Tensoflow-Keras library, and applied it to train deep neural networks on the Human Action Recognition (UCF101) dataset. We report an almost 3x improvement of activation sparsity, with recoverable loss of model accuracy after longer training.

Implicit Neural Representation (INR), leveraging a neural network to transform coordinate input into corresponding attributes, has recently driven significant advances in several vision-related domains. However, the performance of INR is heavily influenced by the choice of the nonlinear activation function used in its multilayer perceptron (MLP) architecture. Multiple nonlinearities have been investigated; yet, current INRs face limitations in capturing high-frequency components, diverse signal types, and handling inverse problems. We have identified that these problems can be greatly alleviated by introducing a paradigm shift in INRs. We find that an architecture with learnable activations in initial layers can represent fine details in the underlying signals. Specifically, we propose SL^{2}A-INR, a hybrid network for INR with a single-layer learnable activation function, prompting the effectiveness of traditional ReLU-based MLPs. Our method performs superior across diverse tasks, including image representation, 3D shape reconstructions, inpainting, single image super-resolution, CT reconstruction, and novel view synthesis. Through comprehensive experiments, SL^{2}A-INR sets new benchmarks in accuracy, quality, and convergence rates for INR.

We propose DoReFa-Net, a method to train convolutional neural networks that have low bitwidth weights and activations using low bitwidth parameter gradients. In particular, during backward pass, parameter gradients are stochastically quantized to low bitwidth numbers before being propagated to convolutional layers. As convolutions during forward/backward passes can now operate on low bitwidth weights and activations/gradients respectively, DoReFa-Net can use bit convolution kernels to accelerate both training and inference. Moreover, as bit convolutions can be efficiently implemented on CPU, FPGA, ASIC and GPU, DoReFa-Net opens the way to accelerate training of low bitwidth neural network on these hardware. Our experiments on SVHN and ImageNet datasets prove that DoReFa-Net can achieve comparable prediction accuracy as 32-bit counterparts. For example, a DoReFa-Net derived from AlexNet that has 1-bit weights, 2-bit activations, can be trained from scratch using 6-bit gradients to get 46.1\% top-1 accuracy on ImageNet validation set. The DoReFa-Net AlexNet model is released publicly.

Online Normalization is a new technique for normalizing the hidden activations of a neural network. Like Batch Normalization, it normalizes the sample dimension. While Online Normalization does not use batches, it is as accurate as Batch Normalization. We resolve a theoretical limitation of Batch Normalization by introducing an unbiased technique for computing the gradient of normalized activations. Online Normalization works with automatic differentiation by adding statistical normalization as a primitive. This technique can be used in cases not covered by some other normalizers, such as recurrent networks, fully connected networks, and networks with activation memory requirements prohibitive for batching. We show its applications to image classification, image segmentation, and language modeling. We present formal proofs and experimental results on ImageNet, CIFAR, and PTB datasets.

As the size of large language models continue to scale, so does the computational resources required to run it. Spiking Neural Networks (SNNs) have emerged as an energy-efficient approach to deep learning that leverage sparse and event-driven activations to reduce the computational overhead associated with model inference. While they have become competitive with non-spiking models on many computer vision tasks, SNNs have also proven to be more challenging to train. As a result, their performance lags behind modern deep learning, and we are yet to see the effectiveness of SNNs in language generation. In this paper, inspired by the Receptance Weighted Key Value (RWKV) language model, we successfully implement `SpikeGPT', a generative language model with binary, event-driven spiking activation units. We train the proposed model on two model variants: 45M and 216M parameters. To the best of our knowledge, SpikeGPT is the largest backpropagation-trained SNN model to date, rendering it suitable for both the generation and comprehension of natural language. We achieve this by modifying the transformer block to replace multi-head self attention to reduce quadratic computational complexity O(N^2) to linear complexity O(N) with increasing sequence length. Input tokens are instead streamed in sequentially to our attention mechanism (as with typical SNNs). Our preliminary experiments show that SpikeGPT remains competitive with non-spiking models on tested benchmarks, while maintaining 20x fewer operations when processed on neuromorphic hardware that can leverage sparse, event-driven activations. Our code implementation is available at https://github.com/ridgerchu/SpikeGPT.

In recent years, many neural network (NN) verifiers have been developed to formally verify certain properties of neural networks such as robustness. Although many benchmarks have been constructed to evaluate the performance of NN verifiers, they typically lack a ground-truth for hard instances where no current verifier can verify and no counterexample can be found, which makes it difficult to check the soundness of a new verifier if it claims to verify hard instances which no other verifier can do. We propose to develop a soundness benchmark for NN verification. Our benchmark contains instances with deliberately inserted counterexamples while we also try to hide the counterexamples from regular adversarial attacks which can be used for finding counterexamples. We design a training method to produce neural networks with such hidden counterexamples. Our benchmark aims to be used for testing the soundness of NN verifiers and identifying falsely claimed verifiability when it is known that hidden counterexamples exist. We systematically construct our benchmark and generate instances across diverse model architectures, activation functions, input sizes, and perturbation radii. We demonstrate that our benchmark successfully identifies bugs in state-of-the-art NN verifiers, as well as synthetic bugs, providing a crucial step toward enhancing the reliability of testing NN verifiers. Our code is available at https://github.com/MVP-Harry/SoundnessBench and our benchmark is available at https://huggingface.co/datasets/SoundnessBench/SoundnessBench.

The separation power of a machine learning model refers to its ability to distinguish between different inputs and is often used as a proxy for its expressivity. Indeed, knowing the separation power of a family of models is a necessary condition to obtain fine-grained universality results. In this paper, we analyze the separation power of equivariant neural networks, such as convolutional and permutation-invariant networks. We first present a complete characterization of inputs indistinguishable by models derived by a given architecture. From this results, we derive how separability is influenced by hyperparameters and architectural choices-such as activation functions, depth, hidden layer width, and representation types. Notably, all non-polynomial activations, including ReLU and sigmoid, are equivalent in expressivity and reach maximum separation power. Depth improves separation power up to a threshold, after which further increases have no effect. Adding invariant features to hidden representations does not impact separation power. Finally, block decomposition of hidden representations affects separability, with minimal components forming a hierarchy in separation power that provides a straightforward method for comparing the separation power of models.

Neural representations carry rich geometric structure; but does that structure causally shape behavior? To address this question, we intervene along paths through activation space defined by different geometries, and measure the behavioral trajectories they induce. In particular, we test whether interventions that respect the geometry of activation space will yield behaviors close to those the model exhibits naturally. Concretely, we first fit an activation manifold M_h to representations and a behavior manifold M_y to output probability distributions. We then test the link M_h leftrightarrow M_y via interventions: we find that steering along M_h, which we term manifold steering, yields behavioral trajectories that follow M_y, while linear steering -- which assumes a Euclidean geometry -- cuts through off-manifold regions and hence produces unnatural outputs. Moreover, optimizing interventions in activation space to produce paths along M_y recovers activation trajectories that trace the curvature of M_h. We demonstrate this bidirectional relationship between the geometry of representation and behavior across tasks and modalities. In language models, we use reasoning tasks with cyclic and sequential geometries as well as in-context learning tasks with more complex graph geometries. In a video world model, we use a task with geometry corresponding to physical dynamics. Overall, our work shows that geometry in neural representation is not merely incidental, but is in fact the proper object for enabling principled control via intervention on internals. This recasts the core problem of steering from finding the right direction to finding the right geometry.

Previous work has found a gap between the scale of neural networks that reliably learn Conway's Game of Life, and minimal networks capable of representing the classic cellular automaton with hard-coded parameter values. Viewing neural network learning as a search process suggests a dependence on networks large enough to contain sub-networks with lucky initializations (sometimes known as 'winning tickets') that actually learn the task. In this work, we reorient our perspective from discovering Life rules as a search problem back to a learning problem, and reason that with fitting inductive biases, the problem should be much more amenable to minimal networks. We find that network variants with several alternative activation functions meaningfully outperform the default choice of Rectified Linear Units, and in particular, that a 2nd degree polynomial activation function consistently learns Life dynamics with or without the benefit of learning neural weights. Our results provide an informative demonstration of the benefits of matching learning to the task at hand and challenge the easy default choice of scale for all problems. In particular, we advocate for the use of cellular automata as simple test domains for developing strategies that can benefit machine learning for science, physics-based deep learning, and interpretable machine learning.

In this paper, we investigate a constrained formulation of neural networks where the output is a convex function of the input. We show that the convexity constraints can be enforced on both fully connected and convolutional layers, making them applicable to most architectures. The convexity constraints include restricting the weights (for all but the first layer) to be non-negative and using a non-decreasing convex activation function. Albeit simple, these constraints have profound implications on the generalization abilities of the network. We draw three valuable insights: (a) Input Output Convex Neural Networks (IOC-NNs) self regularize and reduce the problem of overfitting; (b) Although heavily constrained, they outperform the base multi layer perceptrons and achieve similar performance as compared to base convolutional architectures and (c) IOC-NNs show robustness to noise in train labels. We demonstrate the efficacy of the proposed idea using thorough experiments and ablation studies on standard image classification datasets with three different neural network architectures.

Binary neural networks (BNNs) have been widely adopted to reduce the computational cost and memory storage on edge-computing devices by using one-bit representation for activations and weights. However, as neural networks become wider/deeper to improve accuracy and meet practical requirements, the computational burden remains a significant challenge even on the binary version. To address these issues, this paper proposes a novel method called Minimum Spanning Tree (MST) compression that learns to compress and accelerate BNNs. The proposed architecture leverages an observation from previous works that an output channel in a binary convolution can be computed using another output channel and XNOR operations with weights that differ from the weights of the reused channel. We first construct a fully connected graph with vertices corresponding to output channels, where the distance between two vertices is the number of different values between the weight sets used for these outputs. Then, the MST of the graph with the minimum depth is proposed to reorder output calculations, aiming to reduce computational cost and latency. Moreover, we propose a new learning algorithm to reduce the total MST distance during training. Experimental results on benchmark models demonstrate that our method achieves significant compression ratios with negligible accuracy drops, making it a promising approach for resource-constrained edge-computing devices.

The public model zoo containing enormous powerful pretrained model families (e.g., ResNet/DeiT) has reached an unprecedented scope than ever, which significantly contributes to the success of deep learning. As each model family consists of pretrained models with diverse scales (e.g., DeiT-Ti/S/B), it naturally arises a fundamental question of how to efficiently assemble these readily available models in a family for dynamic accuracy-efficiency trade-offs at runtime. To this end, we present Stitchable Neural Networks (SN-Net), a novel scalable and efficient framework for model deployment. It cheaply produces numerous networks with different complexity and performance trade-offs given a family of pretrained neural networks, which we call anchors. Specifically, SN-Net splits the anchors across the blocks/layers and then stitches them together with simple stitching layers to map the activations from one anchor to another. With only a few epochs of training, SN-Net effectively interpolates between the performance of anchors with varying scales. At runtime, SN-Net can instantly adapt to dynamic resource constraints by switching the stitching positions. Extensive experiments on ImageNet classification demonstrate that SN-Net can obtain on-par or even better performance than many individually trained networks while supporting diverse deployment scenarios. For example, by stitching Swin Transformers, we challenge hundreds of models in Timm model zoo with a single network. We believe this new elastic model framework can serve as a strong baseline for further research in wider communities.

The recent trend in deep neural networks (DNNs) research is to make the networks more compact. The motivation behind designing compact DNNs is to improve energy efficiency since by virtue of having lower memory footprint, compact DNNs have lower number of off-chip accesses which improves energy efficiency. However, we show that making DNNs compact has indirect and subtle implications which are not well-understood. Reducing the number of parameters in DNNs increases the number of activations which, in turn, increases the memory footprint. We evaluate several recently-proposed compact DNNs on Tesla P100 GPU and show that their "activations to parameters ratio" ranges between 1.4 to 32.8. Further, the "memory-footprint to model size ratio" ranges between 15 to 443. This shows that a higher number of activations causes large memory footprint which increases on-chip/off-chip data movements. Furthermore, these parameter-reducing techniques reduce the arithmetic intensity which increases on-chip/off-chip memory bandwidth requirement. Due to these factors, the energy efficiency of compact DNNs may be significantly reduced which is against the original motivation for designing compact DNNs.

Recurrent Neural Networks (RNNs) are popular models of brain function. The typical training strategy is to adjust their input-output behavior so that it matches that of the biological circuit of interest. Even though this strategy ensures that the biological and artificial networks perform the same computational task, it does not guarantee that their internal activity dynamics match. This suggests that the trained RNNs might end up performing the task employing a different internal computational mechanism, which would make them a suboptimal model of the biological circuit. In this work, we introduce a novel training strategy that allows learning not only the input-output behavior of an RNN but also its internal network dynamics, based on sparse neural recordings. We test the proposed method by training an RNN to simultaneously reproduce internal dynamics and output signals of a physiologically-inspired neural model. Specifically, this model generates the multiphasic muscle-like activity patterns typically observed during the execution of reaching movements, based on the oscillatory activation patterns concurrently observed in the motor cortex. Remarkably, we show that the reproduction of the internal dynamics is successful even when the training algorithm relies on the activities of a small subset of neurons sampled from the biological network. Furthermore, we show that training the RNNs with this method significantly improves their generalization performance. Overall, our results suggest that the proposed method is suitable for building powerful functional RNN models, which automatically capture important computational properties of the biological circuit of interest from sparse neural recordings.

Spiking Neural Networks promise brain-inspired and energy-efficient computation by transmitting information through binary (0/1) spikes. Yet, their performance still lags behind that of artificial neural networks, often assumed to result from information loss caused by sparse and binary activations. In this work, we challenge this long-standing assumption and reveal a previously overlooked frequency bias: spiking neurons inherently suppress high-frequency components and preferentially propagate low-frequency information. This frequency-domain imbalance, we argue, is the root cause of degraded feature representation in SNNs. Empirically, on Spiking Transformers, adopting Avg-Pooling (low-pass) for token mixing lowers performance to 76.73% on Cifar-100, whereas replacing it with Max-Pool (high-pass) pushes the top-1 accuracy to 79.12%. Accordingly, we introduce Max-Former that restores high-frequency signals through two frequency-enhancing operators: (1) extra Max-Pool in patch embedding, and (2) Depth-Wise Convolution in place of self-attention. Notably, Max-Former attains 82.39% top-1 accuracy on ImageNet using only 63.99M parameters, surpassing Spikformer (74.81%, 66.34M) by +7.58%. Extending our insight beyond transformers, our Max-ResNet-18 achieves state-of-the-art performance on convolution-based benchmarks: 97.17% on CIFAR-10 and 83.06\% on CIFAR-100. We hope this simple yet effective solution inspires future research to explore the distinctive nature of spiking neural networks. Code is available: https://github.com/bic-L/MaxFormer.

Deep Neural Networks (DNNs) can be represented as graphs whose links and vertices iteratively process data and solve tasks sub-optimally. Complex Network Theory (CNT), merging statistical physics with graph theory, provides a method for interpreting neural networks by analysing their weights and neuron structures. However, classic works adapt CNT metrics that only permit a topological analysis as they do not account for the effect of the input data. In addition, CNT metrics have been applied to a limited range of architectures, mainly including Fully Connected neural networks. In this work, we extend the existing CNT metrics with measures that sample from the DNNs' training distribution, shifting from a purely topological analysis to one that connects with the interpretability of deep learning. For the novel metrics, in addition to the existing ones, we provide a mathematical formalisation for Fully Connected, AutoEncoder, Convolutional and Recurrent neural networks, of which we vary the activation functions and the number of hidden layers. We show that these metrics differentiate DNNs based on the architecture, the number of hidden layers, and the activation function. Our contribution provides a method rooted in physics for interpreting DNNs that offers insights beyond the traditional input-output relationship and the CNT topological analysis.

The vulnerability of artificial intelligence (AI) and machine learning (ML) against adversarial disturbances and attacks significantly restricts their applicability in safety-critical systems including cyber-physical systems (CPS) equipped with neural network components at various stages of sensing and control. This paper addresses the reachable set estimation and safety verification problems for dynamical systems embedded with neural network components serving as feedback controllers. The closed-loop system can be abstracted in the form of a continuous-time sampled-data system under the control of a neural network controller. First, a novel reachable set computation method in adaptation to simulations generated out of neural networks is developed. The reachability analysis of a class of feedforward neural networks called multilayer perceptrons (MLP) with general activation functions is performed in the framework of interval arithmetic. Then, in combination with reachability methods developed for various dynamical system classes modeled by ordinary differential equations, a recursive algorithm is developed for over-approximating the reachable set of the closed-loop system. The safety verification for neural network control systems can be performed by examining the emptiness of the intersection between the over-approximation of reachable sets and unsafe sets. The effectiveness of the proposed approach has been validated with evaluations on a robotic arm model and an adaptive cruise control system.

While Convolutional Neural Networks (CNNs) have long been investigated and applied, as well as theorized, we aim to provide a slightly different perspective into their nature -- through the perspective of their Hessian maps. The reason is that the loss Hessian captures the pairwise interaction of parameters and therefore forms a natural ground to probe how the architectural aspects of CNN get manifested in its structure and properties. We develop a framework relying on Toeplitz representation of CNNs, and then utilize it to reveal the Hessian structure and, in particular, its rank. We prove tight upper bounds (with linear activations), which closely follow the empirical trend of the Hessian rank and hold in practice in more general settings. Overall, our work generalizes and establishes the key insight that, even in CNNs, the Hessian rank grows as the square root of the number of parameters.

Nowadays, the Convolutional Neural Networks (CNNs) have achieved impressive performance on many computer vision related tasks, such as object detection, image recognition, image retrieval, etc. These achievements benefit from the CNNs outstanding capability to learn the input features with deep layers of neuron structures and iterative training process. However, these learned features are hard to identify and interpret from a human vision perspective, causing a lack of understanding of the CNNs internal working mechanism. To improve the CNN interpretability, the CNN visualization is well utilized as a qualitative analysis method, which translates the internal features into visually perceptible patterns. And many CNN visualization works have been proposed in the literature to interpret the CNN in perspectives of network structure, operation, and semantic concept. In this paper, we expect to provide a comprehensive survey of several representative CNN visualization methods, including Activation Maximization, Network Inversion, Deconvolutional Neural Networks (DeconvNet), and Network Dissection based visualization. These methods are presented in terms of motivations, algorithms, and experiment results. Based on these visualization methods, we also discuss their practical applications to demonstrate the significance of the CNN interpretability in areas of network design, optimization, security enhancement, etc.

Deep Graph Neural Networks (GNNs) show promising performance on a range of graph tasks, yet at present are costly to run and lack many of the optimisations applied to DNNs. We show, for the first time, how to systematically quantise GNNs with minimal or no loss in performance using Network Architecture Search (NAS). We define the possible quantisation search space of GNNs. The proposed novel NAS mechanism, named Low Precision Graph NAS (LPGNAS), constrains both architecture and quantisation choices to be differentiable. LPGNAS learns the optimal architecture coupled with the best quantisation strategy for different components in the GNN automatically using back-propagation in a single search round. On eight different datasets, solving the task of classifying unseen nodes in a graph, LPGNAS generates quantised models with significant reductions in both model and buffer sizes but with similar accuracy to manually designed networks and other NAS results. In particular, on the Pubmed dataset, LPGNAS shows a better size-accuracy Pareto frontier compared to seven other manual and searched baselines, offering a 2.3 times reduction in model size but a 0.4% increase in accuracy when compared to the best NAS competitor. Finally, from our collected quantisation statistics on a wide range of datasets, we suggest a W4A8 (4-bit weights, 8-bit activations) quantisation strategy might be the bottleneck for naive GNN quantisations.

The demand for efficient processing of deep neural networks (DNNs) on embedded devices is a significant challenge limiting their deployment. Exploiting sparsity in the network's feature maps is one of the ways to reduce its inference latency. It is known that unstructured sparsity results in lower accuracy degradation with respect to structured sparsity but the former needs extensive inference engine changes to get latency benefits. To tackle this challenge, we propose a solution to induce semi-structured activation sparsity exploitable through minor runtime modifications. To attain high speedup levels at inference time, we design a sparse training procedure with awareness of the final position of the activations while computing the General Matrix Multiplication (GEMM). We extensively evaluate the proposed solution across various models for image classification and object detection tasks. Remarkably, our approach yields a speed improvement of 1.25 times with a minimal accuracy drop of 1.1% for the ResNet18 model on the ImageNet dataset. Furthermore, when combined with a state-of-the-art structured pruning method, the resulting models provide a good latency-accuracy trade-off, outperforming models that solely employ structured pruning techniques.

This paper presents the Neural Network Verification (NNV) software tool, a set-based verification framework for deep neural networks (DNNs) and learning-enabled cyber-physical systems (CPS). The crux of NNV is a collection of reachability algorithms that make use of a variety of set representations, such as polyhedra, star sets, zonotopes, and abstract-domain representations. NNV supports both exact (sound and complete) and over-approximate (sound) reachability algorithms for verifying safety and robustness properties of feed-forward neural networks (FFNNs) with various activation functions. For learning-enabled CPS, such as closed-loop control systems incorporating neural networks, NNV provides exact and over-approximate reachability analysis schemes for linear plant models and FFNN controllers with piecewise-linear activation functions, such as ReLUs. For similar neural network control systems (NNCS) that instead have nonlinear plant models, NNV supports over-approximate analysis by combining the star set analysis used for FFNN controllers with zonotope-based analysis for nonlinear plant dynamics building on CORA. We evaluate NNV using two real-world case studies: the first is safety verification of ACAS Xu networks and the second deals with the safety verification of a deep learning-based adaptive cruise control system.

Artificial Intelligence (AI), with its multiplier effect and wide applications in multiple areas, could potentially be an important application of quantum computing. Since modern AI systems are often built on neural networks, the design of quantum neural networks becomes a key challenge in integrating quantum computing into AI. To provide a more fine-grained characterisation of the impact of quantum components on the performance of neural networks, we propose a framework where classical neural network layers are gradually replaced by quantum layers that have the same type of input and output while keeping the flow of information between layers unchanged, different from most current research in quantum neural network, which favours an end-to-end quantum model. We start with a simple three-layer classical neural network without any normalisation layers or activation functions, and gradually change the classical layers to the corresponding quantum versions. We conduct numerical experiments on image classification datasets such as the MNIST, FashionMNIST and CIFAR-10 datasets to demonstrate the change of performance brought by the systematic introduction of quantum components. Through this framework, our research sheds new light on the design of future quantum neural network models where it could be more favourable to search for methods and frameworks that harness the advantages from both the classical and quantum worlds.

While neural networks are used for classification tasks across domains, a long-standing open problem in machine learning is determining whether neural networks trained using standard procedures are optimal for classification, i.e., whether such models minimize the probability of misclassification for arbitrary data distributions. In this work, we identify and construct an explicit set of neural network classifiers that achieve optimality. Since effective neural networks in practice are typically both wide and deep, we analyze infinitely wide networks that are also infinitely deep. In particular, using the recent connection between infinitely wide neural networks and Neural Tangent Kernels, we provide explicit activation functions that can be used to construct networks that achieve optimality. Interestingly, these activation functions are simple and easy to implement, yet differ from commonly used activations such as ReLU or sigmoid. More generally, we create a taxonomy of infinitely wide and deep networks and show that these models implement one of three well-known classifiers depending on the activation function used: (1) 1-nearest neighbor (model predictions are given by the label of the nearest training example); (2) majority vote (model predictions are given by the label of the class with greatest representation in the training set); or (3) singular kernel classifiers (a set of classifiers containing those that achieve optimality). Our results highlight the benefit of using deep networks for classification tasks, in contrast to regression tasks, where excessive depth is harmful.

The Spiking Neural Network (SNN) has attracted more and more attention recently. It adopts binary spike signals to transmit information. Benefitting from the information passing paradigm of SNNs, the multiplications of activations and weights can be replaced by additions, which are more energy-efficient. However, its ``Hard Reset" mechanism for the firing activity would ignore the difference among membrane potentials when the membrane potential is above the firing threshold, causing information loss. Meanwhile, quantifying the membrane potential to 0/1 spikes at the firing instants will inevitably introduce the quantization error thus bringing about information loss too. To address these problems, we propose to use the ``Soft Reset" mechanism for the supervised training-based SNNs, which will drive the membrane potential to a dynamic reset potential according to its magnitude, and Membrane Potential Rectifier (MPR) to reduce the quantization error via redistributing the membrane potential to a range close to the spikes. Results show that the SNNs with the ``Soft Reset" mechanism and MPR outperform their vanilla counterparts on both static and dynamic datasets.

How do humans learn language, and can the first language be learned at all? These fundamental questions are still hotly debated. In contemporary linguistics, there are two major schools of thought that give completely opposite answers. According to Chomsky's theory of universal grammar, language cannot be learned because children are not exposed to sufficient data in their linguistic environment. In contrast, usage-based models of language assume a profound relationship between language structure and language use. In particular, contextual mental processing and mental representations are assumed to have the cognitive capacity to capture the complexity of actual language use at all levels. The prime example is syntax, i.e., the rules by which words are assembled into larger units such as sentences. Typically, syntactic rules are expressed as sequences of word classes. However, it remains unclear whether word classes are innate, as implied by universal grammar, or whether they emerge during language acquisition, as suggested by usage-based approaches. Here, we address this issue from a machine learning and natural language processing perspective. In particular, we trained an artificial deep neural network on predicting the next word, provided sequences of consecutive words as input. Subsequently, we analyzed the emerging activation patterns in the hidden layers of the neural network. Strikingly, we find that the internal representations of nine-word input sequences cluster according to the word class of the tenth word to be predicted as output, even though the neural network did not receive any explicit information about syntactic rules or word classes during training. This surprising result suggests, that also in the human brain, abstract representational categories such as word classes may naturally emerge as a consequence of predictive coding and processing during language acquisition.

Large nonlinear recurrent neural networks with random couplings generate high-dimensional, potentially chaotic activity whose structure is of interest in neuroscience and other fields. A fundamental object encoding the collective structure of this activity is the N times N covariance matrix. Prior analytical work on the covariance matrix has been limited to low-dimensional summary statistics. Recent work proposed an ansatz in which, at large N, the covariance matrix for a typical quenched realization takes the same form as that of a linear network with the same couplings, driven by independent noise, with DMFT order parameters setting the transfer function and the noise spectrum. Here, we derive this ansatz using the two-site cavity method, providing two derivations with complementary perspectives. The first decomposes each unit's activity into a linear response to its local field and a nonlinear residual, and shows that cross-covariances between residuals at distinct sites are strongly suppressed, so the residuals act as independent noise driving a linear network. The second derives a self-consistent matrix equation for the covariance matrix. A naive Gaussian closure for the joint statistics of local fields at distinct sites misses cross terms that, in a linear network, would be generated by an external drive. The cavity method recovers these terms from non-Gaussian contributions, revealing an emergent external drive. Higher-order cross-site moments follow a Wick-like decomposition into products of pairwise covariances at leading order, reducing them to the linear-equivalent form. We verify the predictions in simulations. These results extend linear equivalence from feedforward high-dimensional nonlinear systems, where the activations are independent of the weights, to recurrent networks, where the activations are correlated with the couplings that generate them.

While deep learning models have achieved state-of-the-art accuracies for many prediction tasks, understanding these models remains a challenge. Despite the recent interest in developing visual tools to help users interpret deep learning models, the complexity and wide variety of models deployed in industry, and the large-scale datasets that they used, pose unique design challenges that are inadequately addressed by existing work. Through participatory design sessions with over 15 researchers and engineers at Facebook, we have developed, deployed, and iteratively improved ActiVis, an interactive visualization system for interpreting large-scale deep learning models and results. By tightly integrating multiple coordinated views, such as a computation graph overview of the model architecture, and a neuron activation view for pattern discovery and comparison, users can explore complex deep neural network models at both the instance- and subset-level. ActiVis has been deployed on Facebook's machine learning platform. We present case studies with Facebook researchers and engineers, and usage scenarios of how ActiVis may work with different models.

The last decade has witnessed a boom of deep learning research and applications achieving state-of-the-art results in various domains. However, most advances have been established empirically, and their theoretical analysis remains lacking. One major issue is that our current interpretation of neural networks (NNs) as function approximators is too generic to support in-depth analysis. In this paper, we remedy this by proposing an alternative interpretation that identifies NNs as chain graphs (CGs) and feed-forward as an approximate inference procedure. The CG interpretation specifies the nature of each NN component within the rich theoretical framework of probabilistic graphical models, while at the same time remains general enough to cover real-world NNs with arbitrary depth, multi-branching and varied activations, as well as common structures including convolution / recurrent layers, residual block and dropout. We demonstrate with concrete examples that the CG interpretation can provide novel theoretical support and insights for various NN techniques, as well as derive new deep learning approaches such as the concept of partially collapsed feed-forward inference. It is thus a promising framework that deepens our understanding of neural networks and provides a coherent theoretical formulation for future deep learning research.

To improve how neural networks function it is crucial to understand their learning process. The information bottleneck theory of deep learning proposes that neural networks achieve good generalization by compressing their representations to disregard information that is not relevant to the task. However, empirical evidence for this theory is conflicting, as compression was only observed when networks used saturating activation functions. In contrast, networks with non-saturating activation functions achieved comparable levels of task performance but did not show compression. In this paper we developed more robust mutual information estimation techniques, that adapt to hidden activity of neural networks and produce more sensitive measurements of activations from all functions, especially unbounded functions. Using these adaptive estimation techniques, we explored compression in networks with a range of different activation functions. With two improved methods of estimation, firstly, we show that saturation of the activation function is not required for compression, and the amount of compression varies between different activation functions. We also find that there is a large amount of variation in compression between different network initializations. Secondary, we see that L2 regularization leads to significantly increased compression, while preventing overfitting. Finally, we show that only compression of the last layer is positively correlated with generalization.

Deep Neural Networks have created a paradigm shift in our ability to comprehend raw data in various important fields ranging from computer vision and natural language processing to intelligence warfare and healthcare. While DNNs are increasingly deployed either in a white-box setting where the model internal is publicly known, or a black-box setting where only the model outputs are known, a practical concern is protecting the models against Intellectual Property (IP) infringement. We propose BlackMarks, the first end-to-end multi-bit watermarking framework that is applicable in the black-box scenario. BlackMarks takes the pre-trained unmarked model and the owner's binary signature as inputs and outputs the corresponding marked model with a set of watermark keys. To do so, BlackMarks first designs a model-dependent encoding scheme that maps all possible classes in the task to bit '0' and bit '1' by clustering the output activations into two groups. Given the owner's watermark signature (a binary string), a set of key image and label pairs are designed using targeted adversarial attacks. The watermark (WM) is then embedded in the prediction behavior of the target DNN by fine-tuning the model with generated WM key set. To extract the WM, the remote model is queried by the WM key images and the owner's signature is decoded from the corresponding predictions according to the designed encoding scheme. We perform a comprehensive evaluation of BlackMarks's performance on MNIST, CIFAR10, ImageNet datasets and corroborate its effectiveness and robustness. BlackMarks preserves the functionality of the original DNN and incurs negligible WM embedding runtime overhead as low as 2.054%.

Artificial Intelligence and Machine learning have been widely used in various fields of mathematical computing, physical modeling, computational science, communication science, and stochastic analysis. Approaches based on Deep Artificial Neural Networks (DANN) are very popular in our days. Depending on the learning task, the exact form of DANNs is determined via their multi-layer architecture, activation functions and the so-called loss function. However, for a majority of deep learning approaches based on DANNs, the kernel structure of neural signal processing remains the same, where the node response is encoded as a linear superposition of neural activity, while the non-linearity is triggered by the activation functions. In the current paper, we suggest to analyze the neural signal processing in DANNs from the point of view of homogeneous chaos theory as known from polynomial chaos expansion (PCE). From the PCE perspective, the (linear) response on each node of a DANN could be seen as a 1^{st} degree multi-variate polynomial of single neurons from the previous layer, i.e. linear weighted sum of monomials. From this point of view, the conventional DANN structure relies implicitly (but erroneously) on a Gaussian distribution of neural signals. Additionally, this view revels that by design DANNs do not necessarily fulfill any orthogonality or orthonormality condition for a majority of data-driven applications. Therefore, the prevailing handling of neural signals in DANNs could lead to redundant representation as any neural signal could contain some partial information from other neural signals. To tackle that challenge, we suggest to employ the data-driven generalization of PCE theory known as arbitrary polynomial chaos (aPC) to construct a corresponding multi-variate orthonormal representations on each node of a DANN to obtain Deep arbitrary polynomial chaos neural networks.

Analog In-memory Computing (IMC) has demonstrated energy-efficient and low latency implementation of convolution and fully-connected layers in deep neural networks (DNN) by using physics for computing in parallel resistive memory arrays. However, recurrent neural networks (RNN) that are widely used for speech-recognition and natural language processing have tasted limited success with this approach. This can be attributed to the significant time and energy penalties incurred in implementing nonlinear activation functions that are abundant in such models. In this work, we experimentally demonstrate the implementation of a non-linear activation function integrated with a ramp analog-to-digital conversion (ADC) at the periphery of the memory to improve in-memory implementation of RNNs. Our approach uses an extra column of memristors to produce an appropriately pre-distorted ramp voltage such that the comparator output directly approximates the desired nonlinear function. We experimentally demonstrate programming different nonlinear functions using a memristive array and simulate its incorporation in RNNs to solve keyword spotting and language modelling tasks. Compared to other approaches, we demonstrate manifold increase in area-efficiency, energy-efficiency and throughput due to the in-memory, programmable ramp generator that removes digital processing overhead.

Spiking Neural Networks (SNNs) as one of the biology-inspired models have received much attention recently. It can significantly reduce energy consumption since they quantize the real-valued membrane potentials to 0/1 spikes to transmit information thus the multiplications of activations and weights can be replaced by additions when implemented on hardware. However, this quantization mechanism will inevitably introduce quantization error, thus causing catastrophic information loss. To address the quantization error problem, we propose a regularizing membrane potential loss (RMP-Loss) to adjust the distribution which is directly related to quantization error to a range close to the spikes. Our method is extremely simple to implement and straightforward to train an SNN. Furthermore, it is shown to consistently outperform previous state-of-the-art methods over different network architectures and datasets.

In this paper, we study the infinite-depth limit of finite-width residual neural networks with random Gaussian weights. With proper scaling, we show that by fixing the width and taking the depth to infinity, the pre-activations converge in distribution to a zero-drift diffusion process. Unlike the infinite-width limit where the pre-activation converge weakly to a Gaussian random variable, we show that the infinite-depth limit yields different distributions depending on the choice of the activation function. We document two cases where these distributions have closed-form (different) expressions. We further show an intriguing change of regime phenomenon of the post-activation norms when the width increases from 3 to 4. Lastly, we study the sequential limit infinite-depth-then-infinite-width and compare it with the more commonly studied infinite-width-then-infinite-depth limit.

State-of-the-art neural network (NN) verifiers demonstrate that applying the branch-and-bound (BaB) procedure with fast bounding techniques plays a key role in tackling many challenging verification properties. In this work, we introduce the linear constraint-driven clipping framework, a class of scalable and efficient methods designed to enhance the efficacy of NN verifiers. Under this framework, we develop two novel algorithms that efficiently utilize linear constraints to 1) reduce portions of the input space that are either verified or irrelevant to a subproblem in the context of branch-and-bound, and 2) directly improve intermediate bounds throughout the network. The process novelly leverages linear constraints that often arise from bound propagation methods and is general enough to also incorporate constraints from other sources. It efficiently handles linear constraints using a specialized GPU procedure that can scale to large neural networks without the use of expensive external solvers. Our verification procedure, Clip-and-Verify, consistently tightens bounds across multiple benchmarks and can significantly reduce the number of subproblems handled during BaB. We show that our clipping algorithms can be integrated with BaB-based verifiers such as α,β-CROWN, utilizing either the split constraints in activation-space BaB or the output constraints that denote the unverified input space. We demonstrate the effectiveness of our procedure on a broad range of benchmarks where, in some instances, we witness a 96% reduction in the number of subproblems during branch-and-bound, and also achieve state-of-the-art verified accuracy across multiple benchmarks. Clip-and-Verify is part of the α,β-CROWN verifier (http://abcrown.org), the VNN-COMP 2025 winner. Code available at https://github.com/Verified-Intelligence/Clip_and_Verify.

Heart failure is a leading cause of global mortality, necessitating improved diagnostic strategies. Classical machine learning models struggle with challenges such as high-dimensional data, class imbalances, poor feature representations, and a lack of interpretability. While quantum machine learning holds promise, current hybrid models have not fully exploited quantum advantages. In this paper, we propose the Kolmogorov-Arnold Classical-Quantum Dual-Channel Neural Network (KACQ-DCNN), a novel hybrid architecture that replaces traditional multilayer perceptrons with Kolmogorov-Arnold Networks (KANs), enabling learnable univariate activation functions. Our KACQ-DCNN 4-qubit, 1-layer model outperforms 37 benchmark models, including 16 classical and 12 quantum neural networks, achieving an accuracy of 92.03%, with macro-average precision, recall, and F1 scores of 92.00%. It also achieved a ROC-AUC of 94.77%, surpassing other models by significant margins, as validated by paired t-tests with a significance threshold of 0.0056 (after Bonferroni correction). Ablation studies highlight the synergistic effect of classical-quantum integration, improving performance by about 2% over MLP variants. Additionally, LIME and SHAP explainability techniques enhance feature interpretability, while conformal prediction provides robust uncertainty quantification. Our results demonstrate that KACQ-DCNN improves cardiovascular diagnostics by combining high accuracy with interpretability and uncertainty quantification.

Chest X-ray imaging is commonly used to diagnose pneumonia, but accurately localizing the pneumonia-affected regions typically requires detailed pixel-level annotations, which are costly and time consuming to obtain. To address this limitation, this study proposes a weakly supervised deep learning framework for pneumonia classification and localization using Gradient-weighted Class Activation Mapping (Grad-CAM). Instead of relying on costly pixel-level annotations, the proposed method utilizes image-level labels to generate clinically meaningful heatmaps that highlight pneumonia-affected regions. Furthermore, we evaluate seven pre-trained deep learning models, including a Vision Transformer, under identical training conditions, using focal loss and patient-wise splits to prevent data leakage. Experimental results suggest that all models achieved high classification accuracy (96--98\%), with ResNet-18 and EfficientNet-B0 showing the best overall performance and MobileNet-V3 providing an efficient lightweight alternative. Grad-CAM heatmap visualizations confirm that the proposed methods focus on clinically relevant lung regions, supporting the use of explainable AI for radiological diagnostics. Overall, this work highlights the potential of weakly supervised, explainable models that enhance transparency and clinical trust in AI-assisted pneumonia screening.

We introduce Leap+Verify, a framework that applies speculative execution -- predicting future model weights and validating predictions before acceptance -- to accelerate neural network training. Inspired by speculative decoding in language model inference and by the Automatically Scalable Computation (ASC) architecture for program execution, Leap+Verify decomposes training into three dynamically detected regimes (chaotic, transition, stable) using activation-space cosine similarity as a real-time Lyapunov proxy signal. Within each regime, analytic weight predictors (momentum, linear, quadratic extrapolation) attempt to forecast model parameters K training steps ahead; predictions are accepted only when validated against a held-out loss criterion. We evaluate Leap+Verify on GPT-2 124M and Qwen 2.5-1.5B trained on WikiText-103 across five random seeds, sweeping prediction depth K in {5, 10, 25, 50, 75, 100}. Momentum-based prediction (Adam moment extrapolation) fails catastrophically at both scales, with predicted losses exceeding actuals by 100-10,000x -- a universal norm explosion in optimizer-state extrapolation. Finite-difference predictors (linear, quadratic) succeed where momentum fails: at 124M, they achieve 24% strict acceptance at K=5 in stable regimes; at 1.5B, they achieve 37% strict acceptance in transition regimes. The scale-dependent finding is in regime distribution: GPT-2 124M spends 34% of training in stable regime, while Qwen 1.5B spends 64% in chaotic regime and reaches stable in only 0-2 of 40 checkpoints. Larger models are more predictable when predictable, but less often predictable -- the practical bottleneck shifts from predictor accuracy to regime availability. Cross-seed results are highly consistent (less than 1% validation loss variance), and the three-regime framework produces identical phase boundaries (plus or minus 50 steps) across seeds.

Gaining insight into how deep convolutional neural network models perform image classification and how to explain their outputs have been a concern to computer vision researchers and decision makers. These deep models are often referred to as black box due to low comprehension of their internal workings. As an effort to developing explainable deep learning models, several methods have been proposed such as finding gradients of class output with respect to input image (sensitivity maps), class activation map (CAM), and Gradient based Class Activation Maps (Grad-CAM). These methods under perform when localizing multiple occurrences of the same class and do not work for all CNNs. In addition, Grad-CAM does not capture the entire object in completeness when used on single object images, this affect performance on recognition tasks. With the intention to create an enhanced visual explanation in terms of visual sharpness, object localization and explaining multiple occurrences of objects in a single image, we present Smooth Grad-CAM++ Simple demo: http://35.238.22.135:5000/, a technique that combines methods from two other recent techniques---SMOOTHGRAD and Grad-CAM++. Our Smooth Grad-CAM++ technique provides the capability of either visualizing a layer, subset of feature maps, or subset of neurons within a feature map at each instance at the inference level (model prediction process). After experimenting with few images, Smooth Grad-CAM++ produced more visually sharp maps with better localization of objects in the given input images when compared with other methods.

Modern neural networks rely on generic activation functions (ReLU, GELU, SiLU) that ignore the mathematical structure inherent in scientific data. We propose Neuro-Symbolic Activation Discovery, a framework that uses Genetic Programming to extract interpretable mathematical formulas from data and inject them as custom activation functions. Our key contribution is the discovery of a Geometric Transfer phenomenon: activation functions learned from particle physics data successfully generalize to ecological classification, outperforming standard activations (ReLU, GELU, SiLU) in both accuracy and parameter efficiency. On the Forest Cover dataset, our Hybrid Transfer model achieves 82.4% accuracy with only 5,825 parameters, compared to 83.4% accuracy requiring 31,801 parameters for a conventional heavy network -- a 5.5x parameter reduction with only 1% accuracy loss. We introduce a Parameter Efficiency Score (E_{param} = AUC / log_{10}(Params)) and demonstrate that lightweight hybrid architectures consistently achieve 18-21% higher efficiency than over-parameterized baselines. Crucially, we establish boundary conditions: while Physics to Ecology transfer succeeds (both involve continuous Euclidean measurements), Physics to Text transfer fails (discrete word frequencies require different mathematical structures). Our work opens pathways toward domain-specific activation libraries for efficient scientific machine learning.

In an effort to understand the meaning of the intermediate representations captured by deep networks, recent papers have tried to associate specific semantic concepts to individual neural network filter responses, where interesting correlations are often found, largely by focusing on extremal filter responses. In this paper, we show that this approach can favor easy-to-interpret cases that are not necessarily representative of the average behavior of a representation. A more realistic but harder-to-study hypothesis is that semantic representations are distributed, and thus filters must be studied in conjunction. In order to investigate this idea while enabling systematic visualization and quantification of multiple filter responses, we introduce the Net2Vec framework, in which semantic concepts are mapped to vectorial embeddings based on corresponding filter responses. By studying such embeddings, we are able to show that 1., in most cases, multiple filters are required to code for a concept, that 2., often filters are not concept specific and help encode multiple concepts, and that 3., compared to single filter activations, filter embeddings are able to better characterize the meaning of a representation and its relationship to other concepts.

We have developed a novel activation function, named the Cauchy Activation Function. This function is derived from the Cauchy Integral Theorem in complex analysis and is specifically tailored for problems requiring high precision. This innovation has led to the creation of a new class of neural networks, which we call (Comple)XNet, or simply XNet. We will demonstrate that XNet is particularly effective for high-dimensional challenges such as image classification and solving Partial Differential Equations (PDEs). Our evaluations show that XNet significantly outperforms established benchmarks like MNIST and CIFAR-10 in computer vision, and offers substantial advantages over Physics-Informed Neural Networks (PINNs) in both low-dimensional and high-dimensional PDE scenarios.

Memory footprint is one of the main limiting factors for large neural network training. In backpropagation, one needs to store the input to each operation in the computational graph. Every modern neural network model has quite a few pointwise nonlinearities in its architecture, and such operation induces additional memory costs which -- as we show -- can be significantly reduced by quantization of the gradients. We propose a systematic approach to compute optimal quantization of the retained gradients of the pointwise nonlinear functions with only a few bits per each element. We show that such approximation can be achieved by computing optimal piecewise-constant approximation of the derivative of the activation function, which can be done by dynamic programming. The drop-in replacements are implemented for all popular nonlinearities and can be used in any existing pipeline. We confirm the memory reduction and the same convergence on several open benchmarks.

Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification, which uses the intrinsic information of neural networks - neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.