Daily Papers

Humans and animals have a rich and flexible understanding of the physical world, which enables them to infer the underlying dynamical trajectories of objects and events, plausible future states, and use that to plan and anticipate the consequences of actions. However, the neural mechanisms underlying these computations are unclear. We combine a goal-driven modeling approach with dense neurophysiological data and high-throughput human behavioral readouts to directly impinge on this question. Specifically, we construct and evaluate several classes of sensory-cognitive networks to predict the future state of rich, ethologically-relevant environments, ranging from self-supervised end-to-end models with pixel-wise or object-centric objectives, to models that future predict in the latent space of purely static image-based or dynamic video-based pretrained foundation models. We find strong differentiation across these model classes in their ability to predict neural and behavioral data both within and across diverse environments. In particular, we find that neural responses are currently best predicted by models trained to predict the future state of their environment in the latent space of pretrained foundation models optimized for dynamic scenes in a self-supervised manner. Notably, models that future predict in the latent space of video foundation models that are optimized to support a diverse range of sensorimotor tasks, reasonably match both human behavioral error patterns and neural dynamics across all environmental scenarios that we were able to test. Overall, these findings suggest that the neural mechanisms and behaviors of primate mental simulation are thus far most consistent with being optimized to future predict on dynamic, reusable visual representations that are useful for embodied AI more generally.

Task-trained recurrent neural networks (RNNs) are widely used in neuroscience and machine learning to model dynamical computations. To gain mechanistic insight into how neural systems solve tasks, prior work often reverse-engineers individual trained networks. However, different RNNs trained on the same task and achieving similar performance can exhibit strikingly different internal solutions, a phenomenon known as solution degeneracy. Here, we develop a unified framework to systematically quantify and control solution degeneracy across three levels: behavior, neural dynamics, and weight space. We apply this framework to 3,400 RNNs trained on four neuroscience-relevant tasks: flip-flop memory, sine wave generation, delayed discrimination, and path integration, while systematically varying task complexity, learning regime, network size, and regularization. We find that higher task complexity and stronger feature learning reduce degeneracy in neural dynamics but increase it in weight space, with mixed effects on behavior. In contrast, larger networks and structural regularization reduce degeneracy at all three levels. These findings empirically validate the Contravariance Principle and provide practical guidance for researchers seeking to tune the variability of RNN solutions, either to uncover shared neural mechanisms or to model the individual variability observed in biological systems. This work provides a principled framework for quantifying and controlling solution degeneracy in task-trained RNNs, offering new tools for building more interpretable and biologically grounded models of neural computation.

Mechanistic interpretability seeks to understand the neural mechanisms that enable specific behaviors in Large Language Models (LLMs) by leveraging causality-based methods. While these approaches have identified neural circuits that copy spans of text, capture factual knowledge, and more, they remain unusable for multimodal models since adapting these tools to the vision-language domain requires considerable architectural changes. In this work, we adapt a unimodal causal tracing tool to BLIP to enable the study of the neural mechanisms underlying image-conditioned text generation. We demonstrate our approach on a visual question answering dataset, highlighting the causal relevance of later layer representations for all tokens. Furthermore, we release our BLIP causal tracing tool as open source to enable further experimentation in vision-language mechanistic interpretability by the community. Our code is available at https://github.com/vedantpalit/Towards-Vision-Language-Mechanistic-Interpretability.

Large language models (LLMs) frequently generate hallucinations -- plausible but factually incorrect outputs -- undermining their reliability. While prior work has examined hallucinations from macroscopic perspectives such as training data and objectives, the underlying neuron-level mechanisms remain largely unexplored. In this paper, we conduct a systematic investigation into hallucination-associated neurons (H-Neurons) in LLMs from three perspectives: identification, behavioral impact, and origins. Regarding their identification, we demonstrate that a remarkably sparse subset of neurons (less than 0.1% of total neurons) can reliably predict hallucination occurrences, with strong generalization across diverse scenarios. In terms of behavioral impact, controlled interventions reveal that these neurons are causally linked to over-compliance behaviors. Concerning their origins, we trace these neurons back to the pre-trained base models and find that these neurons remain predictive for hallucination detection, indicating they emerge during pre-training. Our findings bridge macroscopic behavioral patterns with microscopic neural mechanisms, offering insights for developing more reliable LLMs.

A basic question within the emerging field of mechanistic interpretability is the degree to which neural networks learn the same underlying mechanisms. In other words, are neural mechanisms universal across different models? In this work, we study the universality of individual neurons across GPT2 models trained from different initial random seeds, motivated by the hypothesis that universal neurons are likely to be interpretable. In particular, we compute pairwise correlations of neuron activations over 100 million tokens for every neuron pair across five different seeds and find that 1-5\% of neurons are universal, that is, pairs of neurons which consistently activate on the same inputs. We then study these universal neurons in detail, finding that they usually have clear interpretations and taxonomize them into a small number of neuron families. We conclude by studying patterns in neuron weights to establish several universal functional roles of neurons in simple circuits: deactivating attention heads, changing the entropy of the next token distribution, and predicting the next token to (not) be within a particular set.

Large language models (LLMs) exhibit strong multilingual abilities, yet the neural mechanisms behind language-specific processing remain unclear. We analyze language-specific neurons in Llama-3.1-8B, Mistral-Nemo-12B, and Aya-Expanse-8B & 32B across 21 typologically diverse languages, identifying neurons that control language behavior. Using the Language Activation Probability Entropy (LAPE) method, we show that these neurons cluster in deeper layers, with non-Latin scripts showing greater specialization. Related languages share overlapping neurons, reflecting internal representations of linguistic proximity. Through language arithmetics, i.e. systematic activation addition and multiplication, we steer models to deactivate unwanted languages and activate desired ones, outperforming simpler replacement approaches. These interventions effectively guide behavior across five multilingual tasks: language forcing, translation, QA, comprehension, and NLI. Manipulation is more successful for high-resource languages, while typological similarity improves effectiveness. We also demonstrate that cross-lingual neuron steering enhances downstream performance and reveal internal "fallback" mechanisms for language selection when neurons are progressively deactivated. Our code is made publicly available at https://github.com/d-gurgurov/Language-Neurons-Manipulation.

Every day, the human brain processes an immense volume of visual information, relying on intricate neural mechanisms to perceive and interpret these stimuli. Recent breakthroughs in functional magnetic resonance imaging (fMRI) have enabled scientists to extract visual information from human brain activity patterns. In this study, we present an innovative method for decoding brain activity into meaningful images and captions, with a specific focus on brain captioning due to its enhanced flexibility as compared to brain decoding into images. Our approach takes advantage of cutting-edge image captioning models and incorporates a unique image reconstruction pipeline that utilizes latent diffusion models and depth estimation. We utilized the Natural Scenes Dataset, a comprehensive fMRI dataset from eight subjects who viewed images from the COCO dataset. We employed the Generative Image-to-text Transformer (GIT) as our backbone for captioning and propose a new image reconstruction pipeline based on latent diffusion models. The method involves training regularized linear regression models between brain activity and extracted features. Additionally, we incorporated depth maps from the ControlNet model to further guide the reconstruction process. We evaluate our methods using quantitative metrics for both generated captions and images. Our brain captioning approach outperforms existing methods, while our image reconstruction pipeline generates plausible images with improved spatial relationships. In conclusion, we demonstrate significant progress in brain decoding, showcasing the enormous potential of integrating vision and language to better understand human cognition. Our approach provides a flexible platform for future research, with potential applications in various fields, including neural art, style transfer, and portable devices.

Large language models (LLMs) can sometimes report the strategies they actually use to solve tasks, but they can also fail to do so. This suggests some degree of metacognition -- the capacity to monitor one's own cognitive processes for subsequent reporting and self-control. Metacognitive abilities enhance AI capabilities but raise safety concerns, as models might obscure their internal processes to evade neural-activation-based oversight mechanisms designed to detect harmful behaviors. Given society's increased reliance on these models, it is critical that we understand the limits of their metacognitive abilities, particularly their ability to monitor their internal activations. To address this, we introduce a neuroscience-inspired neurofeedback paradigm designed to quantify the ability of LLMs to explicitly report and control their activation patterns. By presenting models with sentence-label pairs where labels correspond to sentence-elicited internal activations along specific directions in the neural representation space, we demonstrate that LLMs can learn to report and control these activations. The performance varies with several factors: the number of example pairs provided, the semantic interpretability of the target neural direction, and the variance explained by that direction. These results reveal a "metacognitive space" with dimensionality much lower than the model's neural space, suggesting LLMs can monitor only a subset of their neural mechanisms. Our findings provide empirical evidence quantifying metacognitive capabilities in LLMs, with significant implications for AI safety.

Mechanistic interpretability aims to understand the computational mechanisms underlying neural networks' capabilities in order to accomplish concrete scientific and engineering goals. Progress in this field thus promises to provide greater assurance over AI system behavior and shed light on exciting scientific questions about the nature of intelligence. Despite recent progress toward these goals, there are many open problems in the field that require solutions before many scientific and practical benefits can be realized: Our methods require both conceptual and practical improvements to reveal deeper insights; we must figure out how best to apply our methods in pursuit of specific goals; and the field must grapple with socio-technical challenges that influence and are influenced by our work. This forward-facing review discusses the current frontier of mechanistic interpretability and the open problems that the field may benefit from prioritizing.

Large language models (LLMs) with memory are computationally universal. However, mainstream LLMs are not taking full advantage of memory, and the designs are heavily influenced by biological brains. Due to their approximate nature and proneness to the accumulation of errors, conventional neural memory mechanisms cannot support LLMs to simulate complex reasoning. In this paper, we seek inspiration from modern computer architectures to augment LLMs with symbolic memory for complex multi-hop reasoning. Such a symbolic memory framework is instantiated as an LLM and a set of SQL databases, where the LLM generates SQL instructions to manipulate the SQL databases. We validate the effectiveness of the proposed memory framework on a synthetic dataset requiring complex reasoning. The project website is available at https://chatdatabase.github.io/ .

Spiking Neural Networks (SNNs) promise energy-efficient vision, but applying them to RGB visual tracking remains difficult: Existing SNN tracking frameworks either do not fully align with spike-driven computation or do not fully leverage neurons' spatiotemporal dynamics, leading to a trade-off between efficiency and accuracy. To address this, we introduce SpikeTrack, a spike-driven framework for energy-efficient RGB object tracking. SpikeTrack employs a novel asymmetric design that uses asymmetric timestep expansion and unidirectional information flow, harnessing spatiotemporal dynamics while cutting computation. To ensure effective unidirectional information transfer between branches, we design a memory-retrieval module inspired by neural inference mechanisms. This module recurrently queries a compact memory initialized by the template to retrieve target cues and sharpen target perception over time. Extensive experiments demonstrate that SpikeTrack achieves the state-of-the-art among SNN-based trackers and remains competitive with advanced ANN trackers. Notably, it surpasses TransT on LaSOT dataset while consuming only 1/26 of its energy. To our knowledge, SpikeTrack is the first spike-driven framework to make RGB tracking both accurate and energy efficient. The code and models are available at https://github.com/faicaiwawa/SpikeTrack.

Deep Neural Networks (DNNs) have been used to solve different day-to-day problems. Recently, DNNs have been deployed in real-time systems, and lowering the energy consumption and response time has become the need of the hour. To address this scenario, researchers have proposed incorporating dynamic mechanism to static DNNs (SDNN) to create Dynamic Neural Networks (DyNNs) performing dynamic amounts of computation based on the input complexity. Although incorporating dynamic mechanism into SDNNs would be preferable in real-time systems, it also becomes important to evaluate how the introduction of dynamic mechanism impacts the robustness of the models. However, there has not been a significant number of works focusing on the robustness trade-off between SDNNs and DyNNs. To address this issue, we propose to investigate the robustness of dynamic mechanism in DyNNs and how dynamic mechanism design impacts the robustness of DyNNs. For that purpose, we evaluate three research questions. These evaluations are performed on three models and two datasets. Through the studies, we find that attack transferability from DyNNs to SDNNs is higher than attack transferability from SDNNs to DyNNs. Also, we find that DyNNs can be used to generate adversarial samples more efficiently than SDNNs. Then, through research studies, we provide insight into the design choices that can increase robustness of DyNNs against the attack generated using static model. Finally, we propose a novel attack to understand the additional attack surface introduced by the dynamic mechanism and provide design choices to improve robustness against the attack.

Interpretability research now offers a variety of techniques for identifying abstract internal mechanisms in neural networks. Can such techniques be used to predict how models will behave on out-of-distribution examples? In this work, we provide a positive answer to this question. Through a diverse set of language modeling tasks--including symbol manipulation, knowledge retrieval, and instruction following--we show that the most robust features for correctness prediction are those that play a distinctive causal role in the model's behavior. Specifically, we propose two methods that leverage causal mechanisms to predict the correctness of model outputs: counterfactual simulation (checking whether key causal variables are realized) and value probing (using the values of those variables to make predictions). Both achieve high AUC-ROC in distribution and outperform methods that rely on causal-agnostic features in out-of-distribution settings, where predicting model behaviors is more crucial. Our work thus highlights a novel and significant application for internal causal analysis of language models.

Recent advances in speech spoofing necessitate stronger verification mechanisms in neural speech codecs to ensure authenticity. Current methods embed numerical watermarks before compression and extract them from reconstructed speech for verification, but face limitations such as separate training processes for the watermark and codec, and insufficient cross-modal information integration, leading to reduced watermark imperceptibility, extraction accuracy, and capacity. To address these issues, we propose WMCodec, the first neural speech codec to jointly train compression-reconstruction and watermark embedding-extraction in an end-to-end manner, optimizing both imperceptibility and extractability of the watermark. Furthermore, We design an iterative Attention Imprint Unit (AIU) for deeper feature integration of watermark and speech, reducing the impact of quantization noise on the watermark. Experimental results show WMCodec outperforms AudioSeal with Encodec in most quality metrics for watermark imperceptibility and consistently exceeds both AudioSeal with Encodec and reinforced TraceableSpeech in extraction accuracy of watermark. At bandwidth of 6 kbps with a watermark capacity of 16 bps, WMCodec maintains over 99% extraction accuracy under common attacks, demonstrating strong robustness.

An attentional mechanism has lately been used to improve neural machine translation (NMT) by selectively focusing on parts of the source sentence during translation. However, there has been little work exploring useful architectures for attention-based NMT. This paper examines two simple and effective classes of attentional mechanism: a global approach which always attends to all source words and a local one that only looks at a subset of source words at a time. We demonstrate the effectiveness of both approaches over the WMT translation tasks between English and German in both directions. With local attention, we achieve a significant gain of 5.0 BLEU points over non-attentional systems which already incorporate known techniques such as dropout. Our ensemble model using different attention architectures has established a new state-of-the-art result in the WMT'15 English to German translation task with 25.9 BLEU points, an improvement of 1.0 BLEU points over the existing best system backed by NMT and an n-gram reranker.

Vehicle Routing Problems (VRPs) are a class of NP-hard problems ubiquitous in several real-world logistics scenarios that pose significant challenges for optimization. Neural Combinatorial Optimization (NCO) has emerged as a promising alternative to classical approaches, as it can learn fast heuristics to solve VRPs. However, most research works in NCO for VRPs focus on simplified settings, which do not account for asymmetric distances and travel durations that cannot be derived by simple Euclidean distances and unrealistic data distributions, hindering real-world deployment. This work introduces RRNCO (Real Routing NCO) to bridge the gap of NCO between synthetic and real-world VRPs in the critical aspects of both data and modeling. First, we introduce a new, openly available dataset with real-world data containing a diverse dataset of locations, distances, and duration matrices from 100 cities, considering realistic settings with actual routing distances and durations obtained from Open Source Routing Machine (OSRM). Second, we propose a novel approach that efficiently processes both node and edge features through contextual gating, enabling the construction of more informed node embedding, and we finally incorporate an Adaptation Attention Free Module (AAFM) with neural adaptive bias mechanisms that effectively integrates not only distance matrices but also angular relationships between nodes, allowing our model to capture rich structural information. RRNCO achieves state-of-the-art results in real-world VRPs among NCO methods. We make our dataset and code publicly available at https://github.com/ai4co/real-routing-nco.

Interpreting the inner function of neural networks is crucial for the trustworthy development and deployment of these black-box models. Prior interpretability methods focus on correlation-based measures to attribute model decisions to individual examples. However, these measures are susceptible to noise and spurious correlations encoded in the model during the training phase (e.g., biased inputs, model overfitting, or misspecification). Moreover, this process has proven to result in noisy and unstable attributions that prevent any transparent understanding of the model's behavior. In this paper, we develop a robust interventional-based method grounded by causal analysis to capture cause-effect mechanisms in pre-trained neural networks and their relation to the prediction. Our novel approach relies on path interventions to infer the causal mechanisms within hidden layers and isolate relevant and necessary information (to model prediction), avoiding noisy ones. The result is task-specific causal explanatory graphs that can audit model behavior and express the actual causes underlying its performance. We apply our method to vision models trained on classification tasks. On image classification tasks, we provide extensive quantitative experiments to show that our approach can capture more stable and faithful explanations than standard attribution-based methods. Furthermore, the underlying causal graphs reveal the neural interactions in the model, making it a valuable tool in other applications (e.g., model repair).

Neural operators, as an efficient surrogate model for learning the solutions of PDEs, have received extensive attention in the field of scientific machine learning. Among them, attention-based neural operators have become one of the mainstreams in related research. However, existing approaches overfit the limited training data due to the considerable number of parameters in the attention mechanism. To address this, we develop an orthogonal attention based on the eigendecomposition of the kernel integral operator and the neural approximation of eigenfunctions. The orthogonalization naturally poses a proper regularization effect on the resulting neural operator, which aids in resisting overfitting and boosting generalization. Experiments on six standard neural operator benchmark datasets comprising both regular and irregular geometries show that our method can outperform competing baselines with decent margins.

Previous work has demonstrated that attention mechanisms are Turing complete. More recently, it has been shown that a looped 9-layer Transformer can function as a universal programmable computer. In contrast, the multi-layer perceptrons with ReLU activation (ReLU-MLP), one of the most fundamental components of neural networks, is known to be expressive; specifically, a two-layer neural network is a universal approximator given an exponentially large number of hidden neurons. However, it remains unclear whether a ReLU-MLP can be made into a universal programmable computer using a practical number of weights. In this work, we provide an affirmative answer that a looped 23-layer ReLU-MLP is capable of performing the basic necessary operations, more efficiently and effectively functioning as a programmable computer than a looped Transformer. This indicates simple modules have stronger expressive power than previously expected and have not been fully explored. Our work provides insights into the mechanisms of neural networks and demonstrates that complex tasks, such as functioning as a programmable computer, do not necessarily require advanced architectures like Transformers.

While generative AI is now widespread and useful in society, there are potential risks of misuse, e.g., unconsciously influencing cognitive processes or decision-making. Although this causes a security problem in the cognitive domain, there has been no research about neural and computational mechanisms counteracting the impact of malicious generative AI in humans. We propose DecNefGAN, a novel framework that combines a generative adversarial system and a neural reinforcement model. More specifically, DecNefGAN bridges human and generative AI in a closed-loop system, with the AI creating stimuli that induce specific mental states, thus exerting external control over neural activity. The objective of the human is the opposite, to compete and reach an orthogonal mental state. This framework can contribute to elucidating how the human brain responds to and counteracts the potential influence of generative AI.

Model merging enables powerful capabilities in neural networks without requiring additional training. In this paper, we introduce a novel perspective on model merging by leveraging the fundamental mechanisms of neural network representation. Our approach is motivated by the linear representation hypothesis, which states that neural networks encode information through linear combinations of feature vectors. We propose a method that superposes task-specific features from individual models into a merged model. Our approach specifically targets linear transformation matrices, which are crucial for feature activation and extraction in deep networks. By formulating the merging process as a linear system, we can preserve task-specific features from individual models and create merged models that effectively maintain multi-task capabilities compared to existing methods. Extensive experiments across diverse benchmarks and models demonstrate that our method outperforms existing techniques. Code is available at https://github.com/LARS-research/STF.

Neuroscience employs diverse neuroimaging techniques, each offering distinct insights into brain activity, from electrophysiological recordings such as EEG, which have high temporal resolution, to hemodynamic modalities such as fMRI, which have increased spatial precision. However, integrating these heterogeneous data sources remains a challenge, which limits a comprehensive understanding of brain function. We present the Spatiotemporal Alignment of Multimodal Brain Activity (SAMBA) framework, which bridges the spatial and temporal resolution gaps across modalities by learning a unified latent space free of modality-specific biases. SAMBA introduces a novel attention-based wavelet decomposition for spectral filtering of electrophysiological recordings, graph attention networks to model functional connectivity between functional brain units, and recurrent layers to capture temporal autocorrelations in brain signal. We show that the training of SAMBA, aside from achieving translation, also learns a rich representation of brain information processing. We showcase this classify external stimuli driving brain activity from the representation learned in hidden layers of SAMBA, paving the way for broad downstream applications in neuroscience research and clinical contexts.

How humans and machines make sense of current inputs for relation reasoning and question-answering while putting the perceived information into context of our past memories, has been a challenging conundrum in cognitive science and artificial intelligence. Inspired by human brain's memory system and cognitive architectures, we propose a PMI framework that consists of perception, memory and inference components. Notably, the memory module comprises working and long-term memory, with the latter endowed with a higher-order structure to retain more accumulated knowledge and experiences. Through a differentiable competitive write access, current perceptions update working memory, which is later merged with long-term memory via outer product associations, averting memory overflow and minimizing information conflicts. In the inference module, relevant information is retrieved from two separate memory origins and associatively integrated to attain a more comprehensive and precise interpretation of current perceptions. We exploratively apply our PMI to improve prevailing Transformers and CNN models on question-answering tasks like bAbI-20k and Sort-of-CLEVR datasets, as well as relation calculation and image classification tasks, and in each case, our PMI enhancements consistently outshine their original counterparts significantly. Visualization analyses reveal that memory consolidation, along with the interaction and integration of information from diverse memory sources, substantially contributes to the model effectiveness on inference tasks.

Artificial intelligence has made great strides in the last decade but still falls short of the human brain, the best-known example of intelligence. Not much is known of the neural processes that allow the brain to make the leap to achieve so much from so little beyond its ability to create knowledge structures that can be flexibly and dynamically combined, recombined, and applied in new and novel ways. This paper proposes a mathematical approach using graph theory and spectral graph theory, to hypothesize how to constrain these neural clusters of information based on eigen-relationships. This same hypothesis is hierarchically applied to scale up from the smallest to the largest clusters of knowledge that eventually lead to model building and reasoning.

Recurrent neural networks (RNNs) in the brain and in silico excel at solving tasks with intricate temporal dependencies. Long timescales required for solving such tasks can arise from properties of individual neurons (single-neuron timescale, tau, e.g., membrane time constant in biological neurons) or recurrent interactions among them (network-mediated timescale). However, the contribution of each mechanism for optimally solving memory-dependent tasks remains poorly understood. Here, we train RNNs to solve N-parity and N-delayed match-to-sample tasks with increasing memory requirements controlled by N by simultaneously optimizing recurrent weights and taus. We find that for both tasks RNNs develop longer timescales with increasing N, but depending on the learning objective, they use different mechanisms. Two distinct curricula define learning objectives: sequential learning of a single-N (single-head) or simultaneous learning of multiple Ns (multi-head). Single-head networks increase their tau with N and are able to solve tasks for large N, but they suffer from catastrophic forgetting. However, multi-head networks, which are explicitly required to hold multiple concurrent memories, keep tau constant and develop longer timescales through recurrent connectivity. Moreover, we show that the multi-head curriculum increases training speed and network stability to ablations and perturbations, and allows RNNs to generalize better to tasks beyond their training regime. This curriculum also significantly improves training GRUs and LSTMs for large-N tasks. Our results suggest that adapting timescales to task requirements via recurrent interactions allows learning more complex objectives and improves the RNN's performance.

Attention mechanisms have improved the performance of NLP tasks while allowing models to remain explainable. Self-attention is currently widely used, however interpretability is difficult due to the numerous attention distributions. Recent work has shown that model representations can benefit from label-specific information, while facilitating interpretation of predictions. We introduce the Label Attention Layer: a new form of self-attention where attention heads represent labels. We test our novel layer by running constituency and dependency parsing experiments and show our new model obtains new state-of-the-art results for both tasks on both the Penn Treebank (PTB) and Chinese Treebank. Additionally, our model requires fewer self-attention layers compared to existing work. Finally, we find that the Label Attention heads learn relations between syntactic categories and show pathways to analyze errors.

We extend the capabilities of neural networks by coupling them to external memory resources, which they can interact with by attentional processes. The combined system is analogous to a Turing Machine or Von Neumann architecture but is differentiable end-to-end, allowing it to be efficiently trained with gradient descent. Preliminary results demonstrate that Neural Turing Machines can infer simple algorithms such as copying, sorting, and associative recall from input and output examples.

In node classification using graph neural networks (GNNs), a typical model generates logits for different class labels at each node. A softmax layer often outputs a label prediction based on the largest logit. We demonstrate that it is possible to infer hidden graph structural information from the dataset using these logits. We introduce the key notion of label non-uniformity, which is derived from the Wasserstein distance between the softmax distribution of the logits and the uniform distribution. We demonstrate that nodes with small label non-uniformity are harder to classify correctly. We theoretically analyze how the label non-uniformity varies across the graph, which provides insights into boosting the model performance: increasing training samples with high non-uniformity or dropping edges to reduce the maximal cut size of the node set of small non-uniformity. These mechanisms can be easily added to a base GNN model. Experimental results demonstrate that our approach improves the performance of many benchmark base models.

The quadratic computational complexity of softmax transformers has become a bottleneck in long-context scenarios. In contrast, linear attention model families provide a promising direction towards a more efficient sequential model. These linear attention models compress past KV values into a single hidden state, thereby efficiently reducing complexity during both training and inference. However, their expressivity remains limited by the size of their hidden state. Previous work proposed interleaving softmax and linear attention layers to reduce computational complexity while preserving expressivity. Nevertheless, the efficiency of these models remains bottlenecked by their softmax attention layers. In this paper, we propose Neural Attention Search Linear (NAtS-L), a framework that applies both linear attention and softmax attention operations within the same layer on different tokens. NAtS-L automatically determines whether a token can be handled by a linear attention model, i.e., tokens that have only short-term impact and can be encoded into fixed-size hidden states, or require softmax attention, i.e., tokens that contain information related to long-term retrieval and need to be preserved for future queries. By searching for optimal Gated DeltaNet and softmax attention combinations across tokens, we show that NAtS-L provides a strong yet efficient token-level hybrid architecture.

Spiking neural networks offer low energy consumption due to their event-driven nature. Beyond binary spike outputs, their intrinsic floating-point dynamics merit greater attention. Neuronal threshold levels and reset modes critically determine spike count and timing. Hard reset cause information loss, while soft reset apply uniform treatment to neurons. To address these issues, we design an adaptive reset neuron that establishes relationships between inputs, outputs, and reset, while integrating a simple yet effective threshold adjustment strategy. Experimental results demonstrate that our method achieves excellent performance while maintaining lower energy consumption. In particular, it attains state-of-the-art accuracy on Tiny-ImageNet and CIFAR10-DVS. Codes are available at https://github.com/2ephyrus/AR-LIF.

Looped Transformers have shown exceptional neural algorithmic reasoning capability in simulating traditional graph algorithms, but their application to more complex structures like hypergraphs remains underexplored. Hypergraphs generalize graphs by modeling higher-order relationships among multiple entities, enabling richer representations but introducing significant computational challenges. In this work, we extend the Loop Transformer architecture's neural algorithmic reasoning capability to simulate hypergraph algorithms, addressing the gap between neural networks and combinatorial optimization over hypergraphs. Specifically, we propose a novel degradation mechanism for reducing hypergraphs to graph representations, enabling the simulation of graph-based algorithms, such as Dijkstra's shortest path. Furthermore, we introduce a hyperedge-aware encoding scheme to simulate hypergraph-specific algorithms, exemplified by Helly's algorithm. We establish theoretical guarantees for these simulations, demonstrating the feasibility of processing high-dimensional and combinatorial data using Loop Transformers. This work highlights the potential of Transformers as general-purpose algorithmic solvers for structured data.

Scaling has been critical in improving model performance and generalization in machine learning. It involves how a model's performance changes with increases in model size or input data, as well as how efficiently computational resources are utilized to support this growth. Despite successes in other areas, the study of scaling in Neural Network Interatomic Potentials (NNIPs) remains limited. NNIPs act as surrogate models for ab initio quantum mechanical calculations. The dominant paradigm here is to incorporate many physical domain constraints into the model, such as rotational equivariance. We contend that these complex constraints inhibit the scaling ability of NNIPs, and are likely to lead to performance plateaus in the long run. In this work, we take an alternative approach and start by systematically studying NNIP scaling strategies. Our findings indicate that scaling the model through attention mechanisms is efficient and improves model expressivity. These insights motivate us to develop an NNIP architecture designed for scalability: the Efficiently Scaled Attention Interatomic Potential (EScAIP). EScAIP leverages a multi-head self-attention formulation within graph neural networks, applying attention at the neighbor-level representations. Implemented with highly-optimized attention GPU kernels, EScAIP achieves substantial gains in efficiency--at least 10x faster inference, 5x less memory usage--compared to existing NNIPs. EScAIP also achieves state-of-the-art performance on a wide range of datasets including catalysts (OC20 and OC22), molecules (SPICE), and materials (MPTrj). We emphasize that our approach should be thought of as a philosophy rather than a specific model, representing a proof-of-concept for developing general-purpose NNIPs that achieve better expressivity through scaling, and continue to scale efficiently with increased computational resources and training data.

Vision transformers have delivered tremendous success in representation learning. This is primarily due to effective token mixing through self attention. However, this scales quadratically with the number of pixels, which becomes infeasible for high-resolution inputs. To cope with this challenge, we propose Adaptive Fourier Neural Operator (AFNO) as an efficient token mixer that learns to mix in the Fourier domain. AFNO is based on a principled foundation of operator learning which allows us to frame token mixing as a continuous global convolution without any dependence on the input resolution. This principle was previously used to design FNO, which solves global convolution efficiently in the Fourier domain and has shown promise in learning challenging PDEs. To handle challenges in visual representation learning such as discontinuities in images and high resolution inputs, we propose principled architectural modifications to FNO which results in memory and computational efficiency. This includes imposing a block-diagonal structure on the channel mixing weights, adaptively sharing weights across tokens, and sparsifying the frequency modes via soft-thresholding and shrinkage. The resulting model is highly parallel with a quasi-linear complexity and has linear memory in the sequence size. AFNO outperforms self-attention mechanisms for few-shot segmentation in terms of both efficiency and accuracy. For Cityscapes segmentation with the Segformer-B3 backbone, AFNO can handle a sequence size of 65k and outperforms other efficient self-attention mechanisms.

In complex systems, we often observe complex global behavior emerge from a collection of agents interacting with each other in their environment, with each individual agent acting only on locally available information, without knowing the full picture. Such systems have inspired development of artificial intelligence algorithms in areas such as swarm optimization and cellular automata. Motivated by the emergence of collective behavior from complex cellular systems, we build systems that feed each sensory input from the environment into distinct, but identical neural networks, each with no fixed relationship with one another. We show that these sensory networks can be trained to integrate information received locally, and through communication via an attention mechanism, can collectively produce a globally coherent policy. Moreover, the system can still perform its task even if the ordering of its inputs is randomly permuted several times during an episode. These permutation invariant systems also display useful robustness and generalization properties that are broadly applicable. Interactive demo and videos of our results: https://attentionneuron.github.io/

Customers are usually exposed to online digital advertisement channels, such as email marketing, display advertising, paid search engine marketing, along their way to purchase or subscribe products( aka. conversion). The marketers track all the customer journey data and try to measure the effectiveness of each advertising channel. The inference about the influence of each channel plays an important role in budget allocation and inventory pricing decisions. Several simplistic rule-based strategies and data-driven algorithmic strategies have been widely used in marketing field, but they do not address the issues, such as channel interaction, time dependency, user characteristics. In this paper, we propose a novel attribution algorithm based on deep learning to assess the impact of each advertising channel. We present Deep Neural Net With Attention multi-touch attribution model (DNAMTA) model in a supervised learning fashion of predicting if a series of events leads to conversion, and it leads us to have a deep understanding of the dynamic interaction effects between media channels. DNAMTA also incorporates user-context information, such as user demographics and behavior, as control variables to reduce the estimation biases of media effects. We used computational experiment of large real world marketing dataset to demonstrate that our proposed model is superior to existing methods in both conversion prediction and media channel influence evaluation.

Multimodal learning enhances the perceptual capabilities of cognitive systems by integrating information from different sensory modalities. However, existing multimodal fusion research typically assumes static integration, not fully incorporating key dynamic mechanisms found in the brain. Specifically, the brain exhibits an inverse effectiveness phenomenon, wherein weaker unimodal cues yield stronger multisensory integration benefits; conversely, when individual modal cues are stronger, the effect of fusion is diminished. This mechanism enables biological systems to achieve robust cognition even with scarce or noisy perceptual cues. Inspired by this biological mechanism, we explore the relationship between multimodal output and information from individual modalities, proposing an inverse effectiveness driven multimodal fusion (IEMF) strategy. By incorporating this strategy into neural networks, we achieve more efficient integration with improved model performance and computational efficiency, demonstrating up to 50% reduction in computational cost across diverse fusion methods. We conduct experiments on audio-visual classification, continual learning, and question answering tasks to validate our method. Results consistently demonstrate that our method performs excellently in these tasks. To verify universality and generalization, we also conduct experiments on Artificial Neural Networks (ANN) and Spiking Neural Networks (SNN), with results showing good adaptability to both network types. Our research emphasizes the potential of incorporating biologically inspired mechanisms into multimodal networks and provides promising directions for the future development of multimodal artificial intelligence. The code is available at https://github.com/Brain-Cog-Lab/IEMF.

Transformers have surpassed RNNs in popularity due to their superior abilities in parallel training and long-term dependency modeling. Recently, there has been a renewed interest in using linear RNNs for efficient sequence modeling. These linear RNNs often employ gating mechanisms in the output of the linear recurrence layer while ignoring the significance of using forget gates within the recurrence. In this paper, we propose a gated linear RNN model dubbed Hierarchically Gated Recurrent Neural Network (HGRN), which includes forget gates that are lower bounded by a learnable value. The lower bound increases monotonically when moving up layers. This allows the upper layers to model long-term dependencies and the lower layers to model more local, short-term dependencies. Experiments on language modeling, image classification, and long-range arena benchmarks showcase the efficiency and effectiveness of our proposed model. The source code is available at https://github.com/OpenNLPLab/HGRN.

Causal discovery is essential for advancing data-driven fields such as scientific AI and data analysis, yet existing approaches face significant time- and space-efficiency bottlenecks when scaling to large graphs. To address this challenge, we present CauScale, a neural architecture designed for efficient causal discovery that scales inference to graphs with up to 1000 nodes. CauScale improves time efficiency via a reduction unit that compresses data embeddings and improves space efficiency by adopting tied attention weights to avoid maintaining axis-specific attention maps. To keep high causal discovery accuracy, CauScale adopts a two-stream design: a data stream extracts relational evidence from high-dimensional observations, while a graph stream integrates statistical graph priors and preserves key structural signals. CauScale successfully scales to 500-node graphs during training, where prior work fails due to space limitations. Across testing data with varying graph scales and causal mechanisms, CauScale achieves 99.6% mAP on in-distribution data and 84.4% on out-of-distribution data, while delivering 4-13,000 times inference speedups over prior methods. Our project page is at https://github.com/OpenCausaLab/CauScale.

Real-time assessment of near-term Air Traffic Controller (ATCO) task demand is a critical challenge in an increasingly crowded airspace, as existing complexity metrics often fail to capture nuanced operational drivers beyond simple aircraft counts. This work introduces an interpretable Graph Neural Network (GNN) framework to address this gap. Our attention-based model predicts the number of upcoming clearances, the instructions issued to aircraft by ATCOs, from interactions within static traffic scenarios. Crucially, we derive an interpretable, per-aircraft task demand score by systematically ablating aircraft and measuring the impact on the model's predictions. Our framework significantly outperforms an ATCO-inspired heuristic and is a more reliable estimator of scenario complexity than established baselines. The resulting tool can attribute task demand to specific aircraft, offering a new way to analyse and understand the drivers of complexity for applications in controller training and airspace redesign.

Although large language models (LLMs) are increasingly capable, these capabilities are unevenly distributed: they excel at formal linguistic tasks, such as producing fluent, grammatical text, but struggle more with functional linguistic tasks like reasoning and consistent fact retrieval. Inspired by neuroscience, recent work suggests that to succeed on both formal and functional linguistic tasks, LLMs should use different mechanisms for each; such localization could either be built-in or emerge spontaneously through training. In this paper, we ask: do current models, with fast-improving functional linguistic abilities, exhibit distinct localization of formal and functional linguistic mechanisms? We answer this by finding and comparing the "circuits", or minimal computational subgraphs, responsible for various formal and functional tasks. Comparing 5 LLMs across 10 distinct tasks, we find that while there is indeed little overlap between circuits for formal and functional tasks, there is also little overlap between formal linguistic tasks, as exists in the human brain. Thus, a single formal linguistic network, unified and distinct from functional task circuits, remains elusive. However, in terms of cross-task faithfulness - the ability of one circuit to solve another's task - we observe a separation between formal and functional mechanisms, suggesting that shared mechanisms between formal tasks may exist.

Graph Neural Networks (GNNs) have become increasingly important due to their representational power and state-of-the-art predictive performance on many fundamental learning tasks. Despite this success, GNNs suffer from fairness issues that arise as a result of the underlying graph data and the fundamental aggregation mechanism that lies at the heart of the large class of GNN models. In this article, we examine and categorize fairness techniques for improving the fairness of GNNs. Previous work on fair GNN models and techniques are discussed in terms of whether they focus on improving fairness during a preprocessing step, during training, or in a post-processing phase. Furthermore, we discuss how such techniques can be used together whenever appropriate, and highlight the advantages and intuition as well. We also introduce an intuitive taxonomy for fairness evaluation metrics including graph-level fairness, neighborhood-level fairness, embedding-level fairness, and prediction-level fairness metrics. In addition, graph datasets that are useful for benchmarking the fairness of GNN models are summarized succinctly. Finally, we highlight key open problems and challenges that remain to be addressed.

Generative models in function spaces, situated at the intersection of generative modeling and operator learning, are attracting increasing attention due to their immense potential in diverse scientific and engineering applications. While functional generative models are theoretically domain- and discretization-agnostic, current implementations heavily rely on the Fourier Neural Operator (FNO), limiting their applicability to regular grids and rectangular domains. To overcome these critical limitations, we introduce the Mesh-Informed Neural Operator (MINO). By leveraging graph neural operators and cross-attention mechanisms, MINO offers a principled, domain- and discretization-agnostic backbone for generative modeling in function spaces. This advancement significantly expands the scope of such models to more diverse applications in generative, inverse, and regression tasks. Furthermore, MINO provides a unified perspective on integrating neural operators with general advanced deep learning architectures. Finally, we introduce a suite of standardized evaluation metrics that enable objective comparison of functional generative models, addressing another critical gap in the field.

Generative Adversarial Networks (GANs) are a class of neural networks that have been widely used in the field of image-to-image translation. In this paper, we propose a streamlined image-to-image translation network with a simpler architecture compared to existing models. We investigate the relationship between GANs and autoencoders and provide an explanation for the efficacy of employing only the GAN component for tasks involving image translation. We show that adversarial for GAN models yields results comparable to those of existing methods without additional complex loss penalties. Subsequently, we elucidate the rationale behind this phenomenon. We also incorporate experimental results to demonstrate the validity of our findings.

Frequency analysis is useful for understanding the mechanisms of representation learning in neural networks (NNs). Most research in this area focuses on the learning dynamics of NNs for regression tasks, while little for classification. This study empirically investigates the latter and expands the understanding of frequency shortcuts. First, we perform experiments on synthetic datasets, designed to have a bias in different frequency bands. Our results demonstrate that NNs tend to find simple solutions for classification, and what they learn first during training depends on the most distinctive frequency characteristics, which can be either low- or high-frequencies. Second, we confirm this phenomenon on natural images. We propose a metric to measure class-wise frequency characteristics and a method to identify frequency shortcuts. The results show that frequency shortcuts can be texture-based or shape-based, depending on what best simplifies the objective. Third, we validate the transferability of frequency shortcuts on out-of-distribution (OOD) test sets. Our results suggest that frequency shortcuts can be transferred across datasets and cannot be fully avoided by larger model capacity and data augmentation. We recommend that future research should focus on effective training schemes mitigating frequency shortcut learning.

Open-domain dialogue systems aim to generate relevant, informative and engaging responses. Seq2seq neural response generation approaches do not have explicit mechanisms to control the content or style of the generated response, and frequently result in uninformative utterances. In this paper, we propose using a dialogue policy to plan the content and style of target responses in the form of an action plan, which includes knowledge sentences related to the dialogue context, targeted dialogue acts, topic information, etc. The attributes within the action plan are obtained by automatically annotating the publicly released Topical-Chat dataset. We condition neural response generators on the action plan which is then realized as target utterances at the turn and sentence levels. We also investigate different dialogue policy models to predict an action plan given the dialogue context. Through automated and human evaluation, we measure the appropriateness of the generated responses and check if the generation models indeed learn to realize the given action plans. We demonstrate that a basic dialogue policy that operates at the sentence level generates better responses in comparison to turn level generation as well as baseline models with no action plan. Additionally the basic dialogue policy has the added effect of controllability.

Unsupervised learning of hierarchical representations has been one of the most vibrant research directions in deep learning during recent years. In this work we study biologically inspired unsupervised strategies in neural networks based on local Hebbian learning. We propose new mechanisms to extend the Bayesian Confidence Propagating Neural Network (BCPNN) architecture, and demonstrate their capability for unsupervised learning of salient hidden representations when tested on the MNIST dataset.

Attention models have become a crucial component in neural machine translation (NMT). They are often implicitly or explicitly used to justify the model's decision in generating a specific token but it has not yet been rigorously established to what extent attention is a reliable source of information in NMT. To evaluate the explanatory power of attention for NMT, we examine the possibility of yielding the same prediction but with counterfactual attention models that modify crucial aspects of the trained attention model. Using these counterfactual attention mechanisms we assess the extent to which they still preserve the generation of function and content words in the translation process. Compared to a state of the art attention model, our counterfactual attention models produce 68% of function words and 21% of content words in our German-English dataset. Our experiments demonstrate that attention models by themselves cannot reliably explain the decisions made by a NMT model.

In this paper we compare different types of recurrent units in recurrent neural networks (RNNs). Especially, we focus on more sophisticated units that implement a gating mechanism, such as a long short-term memory (LSTM) unit and a recently proposed gated recurrent unit (GRU). We evaluate these recurrent units on the tasks of polyphonic music modeling and speech signal modeling. Our experiments revealed that these advanced recurrent units are indeed better than more traditional recurrent units such as tanh units. Also, we found GRU to be comparable to LSTM.

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.

Many recent studies have found evidence for emergent reasoning capabilities in large language models (LLMs), but debate persists concerning the robustness of these capabilities, and the extent to which they depend on structured reasoning mechanisms. To shed light on these issues, we study the internal mechanisms that support abstract reasoning in LLMs. We identify an emergent symbolic architecture that implements abstract reasoning via a series of three computations. In early layers, symbol abstraction heads convert input tokens to abstract variables based on the relations between those tokens. In intermediate layers, symbolic induction heads perform sequence induction over these abstract variables. Finally, in later layers, retrieval heads predict the next token by retrieving the value associated with the predicted abstract variable. These results point toward a resolution of the longstanding debate between symbolic and neural network approaches, suggesting that emergent reasoning in neural networks depends on the emergence of symbolic mechanisms.

Recently, numerous efficient Transformers have been proposed to reduce the quadratic computational complexity of standard Transformers caused by the Softmax attention. However, most of them simply swap Softmax with an efficient attention mechanism without considering the customized architectures specially for the efficient attention. In this paper, we argue that the handcrafted vanilla Transformer architectures for Softmax attention may not be suitable for efficient Transformers. To address this issue, we propose a new framework to find optimal architectures for efficient Transformers with the neural architecture search (NAS) technique. The proposed method is validated on popular machine translation and image classification tasks. We observe that the optimal architecture of the efficient Transformer has the reduced computation compared with that of the standard Transformer, but the general accuracy is less comparable. It indicates that the Softmax attention and efficient attention have their own distinctions but neither of them can simultaneously balance the accuracy and efficiency well. This motivates us to mix the two types of attention to reduce the performance imbalance. Besides the search spaces that commonly used in existing NAS Transformer approaches, we propose a new search space that allows the NAS algorithm to automatically search the attention variants along with architectures. Extensive experiments on WMT' 14 En-De and CIFAR-10 demonstrate that our searched architecture maintains comparable accuracy to the standard Transformer with notably improved computational efficiency.

The most common tools for word-alignment rely on a large amount of parallel sentences, which are then usually processed according to one of the IBM model algorithms. The training data is, however, the same as for machine translation (MT) systems, especially for neural MT (NMT), which itself is able to produce word-alignments using the trained attention heads. This is convenient because word-alignment is theoretically a viable byproduct of any attention-based NMT, which is also able to provide decoder scores for a translated sentence pair. We summarize different approaches on how word-alignment can be extracted from alignment scores and then explore ways in which scores can be extracted from NMT, focusing on inferring the word-alignment scores based on output sentence and token probabilities. We compare this to the extraction of alignment scores from attention. We conclude with aggregating all of the sources of alignment scores into a simple feed-forward network which achieves the best results when combined alignment extractors are used.

Climate-vulnerable road networks require a paradigm shift from reactive, fix-on-failure repairs to predictive, decision-ready maintenance. This paper introduces ST-ResGAT, a novel Spatio-Temporal Residual Graph Attention Network that fuses residual graph-attention encoding with GRU temporal aggregation to forecast pavement deterioration. Engineered for resource-constrained deployment, the framework translates continuous Pavement Condition Index (PCI) forecasts directly into the American Society for Testing and Materials (ASTM)-compliant maintenance priorities. Using a real-world inspection dataset of 750 segments in Sylhet, Bangladesh (2021-2024), ST-ResGAT significantly outperforms traditional non-spatial machine learning baselines, achieving exceptional predictive fidelity (R2 = 0.93, RMSE = 2.72). Crucially, ablation testing confirmed the mathematical necessity of modeling topological neighbor effects, proving that structural decay acts as a spatial contagion. Uniquely, we integrate GNNExplainer to unbox the model, demonstrating that its learned priorities align perfectly with established physical engineering theory. Furthermore, we quantify classification safety: achieving 85.5% exact ASTM class agreement and 100% adjacent-class containment, ensuring bounded, engineer-safe predictions. To connect model outputs to policy, we generate localized longitudinal maintenance profiles, perform climate stress-testing, and derive Pareto sustainability frontiers. ST-ResGAT therefore offers a practical, explainable, and sustainable blueprint for intelligent infrastructure management in high-risk, low-resource geological settings.

Physics-informed neural networks (PINNs) have emerged as a powerful paradigm for solving partial differential equations (PDEs) by embedding physical laws directly into neural network training. However, solving high-fidelity PDEs remains computationally prohibitive, particularly for parametric systems requiring multiple evaluations across varying parameter configurations. This paper presents MF-BPINN, a novel multi-fidelity framework that synergistically combines physics-informed neural networks with Bayesian uncertainty quantification and adaptive residual learning. Our approach leverages abundant low-fidelity simulations alongside sparse high-fidelity data through a hierarchical neural architecture that learns nonlinear correlations across fidelity levels. We introduce an adaptive residual network with learnable gating mechanisms that dynamically balances linear and nonlinear fidelity discrepancies. Furthermore, we develop a rigorous Bayesian framework employing Hamiltonian Monte Carlo.

The demand for low-power inference and training of deep neural networks (DNNs) on edge devices has intensified the need for algorithms that are both scalable and energy-efficient. While spiking neural networks (SNNs) allow for efficient inference by processing complex spatio-temporal dynamics in an event-driven fashion, training them on resource-constrained devices remains challenging due to the high computational and memory demands of conventional error backpropagation (BP)-based approaches. In this work, we draw inspiration from biological mechanisms such as eligibility traces, spike-timing-dependent plasticity, and neural activity synchronization to introduce TESS, a temporally and spatially local learning rule for training SNNs. Our approach addresses both temporal and spatial credit assignments by relying solely on locally available signals within each neuron, thereby allowing computational and memory overheads to scale linearly with the number of neurons, independently of the number of time steps. Despite relying on local mechanisms, we demonstrate performance comparable to the backpropagation through time (BPTT) algorithm, within sim1.4 accuracy points on challenging computer vision scenarios relevant at the edge, such as the IBM DVS Gesture dataset, CIFAR10-DVS, and temporal versions of CIFAR10, and CIFAR100. Being able to produce comparable performance to BPTT while keeping low time and memory complexity, TESS enables efficient and scalable on-device learning at the edge.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks, yet they often struggle with spatial reasoning. This paper presents a novel neural-symbolic framework that enhances LLMs' spatial reasoning abilities through iterative feedback between LLMs and Answer Set Programming (ASP). We evaluate our approach on two benchmark datasets: StepGame and SparQA, implementing three distinct strategies: (1) direct prompting baseline, (2) Facts+Rules prompting, and (3) DSPy-based LLM+ASP pipeline with iterative refinement. Our experimental results demonstrate that the LLM+ASP pipeline significantly outperforms baseline methods, achieving an average 82% accuracy on StepGame and 69% on SparQA, marking improvements of 40-50% and 8-15% respectively over direct prompting. The success stems from three key innovations: (1) effective separation of semantic parsing and logical reasoning through a modular pipeline, (2) iterative feedback mechanism between LLMs and ASP solvers that improves program rate, and (3) robust error handling that addresses parsing, grounding, and solving failures. Additionally, we propose Facts+Rules as a lightweight alternative that achieves comparable performance on complex SparQA dataset, while reducing computational overhead.Our analysis across different LLM architectures (Deepseek, Llama3-70B, GPT-4.0 mini) demonstrates the framework's generalizability and provides insights into the trade-offs between implementation complexity and reasoning capability, contributing to the development of more interpretable and reliable AI systems.

Given the existence of various forward and inverse problems in combustion studies and applications that necessitate distinct methods for resolution, a framework to solve them in a unified way is critically needed. A promising approach is the integration of machine learning methods with governing equations of combustion systems, which exhibits superior generality and few-shot learning ability compared to purely data-driven methods. In this work, the FlamePINN-1D framework is proposed to solve the forward and inverse problems of 1D laminar flames based on physics-informed neural networks. Three cases with increasing complexity have been tested: Case 1 are freely-propagating premixed (FPP) flames with simplified physical models, while Case 2 and Case 3 are FPP and counterflow premixed (CFP) flames with detailed models, respectively. For forward problems, FlamePINN-1D aims to solve the flame fields and infer the unknown eigenvalues (such as laminar flame speeds) under the constraints of governing equations and boundary conditions. For inverse problems, FlamePINN-1D aims to reconstruct the continuous fields and infer the unknown parameters (such as transport and chemical kinetics parameters) from noisy sparse observations of the flame. Our results strongly validate these capabilities of FlamePINN-1D across various flames and working conditions. Compared to traditional methods, FlamePINN-1D is differentiable and mesh-free, exhibits no discretization errors, and is easier to implement for inverse problems. The inverse problem results also indicate the possibility of optimizing chemical mechanisms from measurements of laboratory 1D flames. Furthermore, some proposed strategies, such as hard constraints and thin-layer normalization, are proven to be essential for the robust learning of FlamePINN-1D. The code for this paper is partially available at https://github.com/CAME-THU/FlamePINN-1D.

We propose a method for adapting neural networks to distribution shifts at test-time. In contrast to training-time robustness mechanisms that attempt to anticipate and counter the shift, we create a closed-loop system and make use of a test-time feedback signal to adapt a network on the fly. We show that this loop can be effectively implemented using a learning-based function, which realizes an amortized optimizer for the network. This leads to an adaptation method, named Rapid Network Adaptation (RNA), that is notably more flexible and orders of magnitude faster than the baselines. Through a broad set of experiments using various adaptation signals and target tasks, we study the efficiency and flexibility of this method. We perform the evaluations using various datasets (Taskonomy, Replica, ScanNet, Hypersim, COCO, ImageNet), tasks (depth, optical flow, semantic segmentation, classification), and distribution shifts (Cross-datasets, 2D and 3D Common Corruptions) with promising results. We end with a discussion on general formulations for handling distribution shifts and our observations from comparing with similar approaches from other domains.

In this paper, we propose LEURN: a neural network architecture that learns univariate decision rules. LEURN is a white-box algorithm that results into univariate trees and makes explainable decisions in every stage. In each layer, LEURN finds a set of univariate rules based on an embedding of the previously checked rules and their corresponding responses. Both rule finding and final decision mechanisms are weighted linear combinations of these embeddings, hence contribution of all rules are clearly formulated and explainable. LEURN can select features, extract feature importance, provide semantic similarity between a pair of samples, be used in a generative manner and can give a confidence score. Thanks to a smoothness parameter, LEURN can also controllably behave like decision trees or vanilla neural networks. Besides these advantages, LEURN achieves comparable performance to state-of-the-art methods across 30 tabular datasets for classification and regression problems.

Adversarial examples are often cited by neuroscientists and machine learning researchers as an example of how computational models diverge from biological sensory systems. Recent work has proposed adding biologically-inspired components to visual neural networks as a way to improve their adversarial robustness. One surprisingly effective component for reducing adversarial vulnerability is response stochasticity, like that exhibited by biological neurons. Here, using recently developed geometrical techniques from computational neuroscience, we investigate how adversarial perturbations influence the internal representations of standard, adversarially trained, and biologically-inspired stochastic networks. We find distinct geometric signatures for each type of network, revealing different mechanisms for achieving robust representations. Next, we generalize these results to the auditory domain, showing that neural stochasticity also makes auditory models more robust to adversarial perturbations. Geometric analysis of the stochastic networks reveals overlap between representations of clean and adversarially perturbed stimuli, and quantitatively demonstrates that competing geometric effects of stochasticity mediate a tradeoff between adversarial and clean performance. Our results shed light on the strategies of robust perception utilized by adversarially trained and stochastic networks, and help explain how stochasticity may be beneficial to machine and biological computation.

Histopathological images contain rich phenotypic information that can be used to monitor underlying mechanisms contributing to diseases progression and patient survival outcomes. Recently, deep learning has become the mainstream methodological choice for analyzing and interpreting cancer histology images. In this paper, we present a comprehensive review of state-of-the-art deep learning approaches that have been used in the context of histopathological image analysis. From the survey of over 130 papers, we review the fields progress based on the methodological aspect of different machine learning strategies such as supervised, weakly supervised, unsupervised, transfer learning and various other sub-variants of these methods. We also provide an overview of deep learning based survival models that are applicable for disease-specific prognosis tasks. Finally, we summarize several existing open datasets and highlight critical challenges and limitations with current deep learning approaches, along with possible avenues for future research.

Learning and decision making in the brain are key processes critical to survival, and yet are processes implemented by non-ideal biological building blocks which can impose significant error. We explore quantitatively how the brain might cope with this inherent source of error by taking advantage of two ubiquitous mechanisms, redundancy and synchronization. In particular we consider a neural process whose goal is to learn a decision function by implementing a nonlinear gradient dynamics. The dynamics, however, are assumed to be corrupted by perturbations modeling the error which might be incurred due to limitations of the biology, intrinsic neuronal noise, and imperfect measurements. We show that error, and the associated uncertainty surrounding a learned solution, can be controlled in large part by trading off synchronization strength among multiple redundant neural systems against the noise amplitude. The impact of the coupling between such redundant systems is quantified by the spectrum of the network Laplacian, and we discuss the role of network topology in synchronization and in reducing the effect of noise. A range of situations in which the mechanisms we model arise in brain science are discussed, and we draw attention to experimental evidence suggesting that cortical circuits capable of implementing the computations of interest here can be found on several scales. Finally, simulations comparing theoretical bounds to the relevant empirical quantities show that the theoretical estimates we derive can be tight.

Legal text retrieval serves as a key component in a wide range of legal text processing tasks such as legal question answering, legal case entailment, and statute law retrieval. The performance of legal text retrieval depends, to a large extent, on the representation of text, both query and legal documents. Based on good representations, a legal text retrieval model can effectively match the query to its relevant documents. Because legal documents often contain long articles and only some parts are relevant to queries, it is quite a challenge for existing models to represent such documents. In this paper, we study the use of attentive neural network-based text representation for statute law document retrieval. We propose a general approach using deep neural networks with attention mechanisms. Based on it, we develop two hierarchical architectures with sparse attention to represent long sentences and articles, and we name them Attentive CNN and Paraformer. The methods are evaluated on datasets of different sizes and characteristics in English, Japanese, and Vietnamese. Experimental results show that: i) Attentive neural methods substantially outperform non-neural methods in terms of retrieval performance across datasets and languages; ii) Pretrained transformer-based models achieve better accuracy on small datasets at the cost of high computational complexity while lighter weight Attentive CNN achieves better accuracy on large datasets; and iii) Our proposed Paraformer outperforms state-of-the-art methods on COLIEE dataset, achieving the highest recall and F2 scores in the top-N retrieval task.

Attention mechanisms are critical to the success of large language models (LLMs), driving significant advancements in multiple fields. However, for graph-structured data, which requires emphasis on topological connections, they fall short compared to message-passing mechanisms on fixed links, such as those employed by Graph Neural Networks (GNNs). This raises a question: ``Does attention fail for graphs in natural language settings?'' Motivated by these observations, we embarked on an empirical study from the perspective of attention mechanisms to explore how LLMs process graph-structured data. The goal is to gain deeper insights into the attention behavior of LLMs over graph structures. We uncovered unique phenomena regarding how LLMs apply attention to graph-structured data and analyzed these findings to improve the modeling of such data by LLMs. The primary findings of our research are: 1) While LLMs can recognize graph data and capture text-node interactions, they struggle to model inter-node relationships within graph structures due to inherent architectural constraints. 2) The attention distribution of LLMs across graph nodes does not align with ideal structural patterns, indicating a failure to adapt to graph topology nuances. 3) Neither fully connected attention nor fixed connectivity is optimal; each has specific limitations in its application scenarios. Instead, intermediate-state attention windows improve LLM training performance and seamlessly transition to fully connected windows during inference. Source code: https://github.com/millioniron/LLM_exploration{LLM4Exploration}

Obtaining human-interpretable explanations of large, general-purpose language models is an urgent goal for AI safety. However, it is just as important that our interpretability methods are faithful to the causal dynamics underlying model behavior and able to robustly generalize to unseen inputs. Distributed Alignment Search (DAS) is a powerful gradient descent method grounded in a theory of causal abstraction that uncovered perfect alignments between interpretable symbolic algorithms and small deep learning models fine-tuned for specific tasks. In the present paper, we scale DAS significantly by replacing the remaining brute-force search steps with learned parameters -- an approach we call DAS. This enables us to efficiently search for interpretable causal structure in large language models while they follow instructions. We apply DAS to the Alpaca model (7B parameters), which, off the shelf, solves a simple numerical reasoning problem. With DAS, we discover that Alpaca does this by implementing a causal model with two interpretable boolean variables. Furthermore, we find that the alignment of neural representations with these variables is robust to changes in inputs and instructions. These findings mark a first step toward deeply understanding the inner-workings of our largest and most widely deployed language models.

We present NNN, an experimental Transformer-based neural network approach to marketing measurement. Unlike Marketing Mix Models (MMMs) which rely on scalar inputs and parametric decay functions, NNN uses rich embeddings to capture both quantitative and qualitative aspects of marketing and organic channels (e.g., search queries, ad creatives). This, combined with its attention mechanism, potentially enables NNN to model complex interactions, capture long-term effects, and improve sales attribution accuracy. We show that L1 regularization permits the use of such expressive models in typical data-constrained settings. Evaluating NNN on simulated and real-world data demonstrates its efficacy, particularly through considerable improvement in predictive power. In addition to marketing measurement, the NNN framework can provide valuable, complementary insights through model probing, such as evaluating keyword or creative effectiveness.

In recent years, graph pre-training has gained significant attention, focusing on acquiring transferable knowledge from unlabeled graph data to improve downstream performance. Despite these recent endeavors, the problem of negative transfer remains a major concern when utilizing graph pre-trained models to downstream tasks. Previous studies made great efforts on the issue of what to pre-train and how to pre-train by designing a variety of graph pre-training and fine-tuning strategies. However, there are cases where even the most advanced "pre-train and fine-tune" paradigms fail to yield distinct benefits. This paper introduces a generic framework W2PGNN to answer the crucial question of when to pre-train (i.e., in what situations could we take advantage of graph pre-training) before performing effortful pre-training or fine-tuning. We start from a new perspective to explore the complex generative mechanisms from the pre-training data to downstream data. In particular, W2PGNN first fits the pre-training data into graphon bases, each element of graphon basis (i.e., a graphon) identifies a fundamental transferable pattern shared by a collection of pre-training graphs. All convex combinations of graphon bases give rise to a generator space, from which graphs generated form the solution space for those downstream data that can benefit from pre-training. In this manner, the feasibility of pre-training can be quantified as the generation probability of the downstream data from any generator in the generator space. W2PGNN offers three broad applications: providing the application scope of graph pre-trained models, quantifying the feasibility of pre-training, and assistance in selecting pre-training data to enhance downstream performance. We provide a theoretically sound solution for the first application and extensive empirical justifications for the latter two applications.

The population loss of trained deep neural networks often follows precise power-law scaling relations with either the size of the training dataset or the number of parameters in the network. We propose a theory that explains the origins of and connects these scaling laws. We identify variance-limited and resolution-limited scaling behavior for both dataset and model size, for a total of four scaling regimes. The variance-limited scaling follows simply from the existence of a well-behaved infinite data or infinite width limit, while the resolution-limited regime can be explained by positing that models are effectively resolving a smooth data manifold. In the large width limit, this can be equivalently obtained from the spectrum of certain kernels, and we present evidence that large width and large dataset resolution-limited scaling exponents are related by a duality. We exhibit all four scaling regimes in the controlled setting of large random feature and pretrained models and test the predictions empirically on a range of standard architectures and datasets. We also observe several empirical relationships between datasets and scaling exponents under modifications of task and architecture aspect ratio. Our work provides a taxonomy for classifying different scaling regimes, underscores that there can be different mechanisms driving improvements in loss, and lends insight into the microscopic origins of and relationships between scaling exponents.

Although deep models have been widely explored in solving partial differential equations (PDEs), previous works are primarily limited to data only with up to tens of thousands of mesh points, far from the million-point scale required by industrial simulations that involve complex geometries. In the spirit of advancing neural PDE solvers to real industrial applications, we present Transolver++, a highly parallel and efficient neural solver that can accurately solve PDEs on million-scale geometries. Building upon previous advancements in solving PDEs by learning physical states via Transolver, Transolver++ is further equipped with an extremely optimized parallelism framework and a local adaptive mechanism to efficiently capture eidetic physical states from massive mesh points, successfully tackling the thorny challenges in computation and physics learning when scaling up input mesh size. Transolver++ increases the single-GPU input capacity to million-scale points for the first time and is capable of continuously scaling input size in linear complexity by increasing GPUs. Experimentally, Transolver++ yields 13% relative promotion across six standard PDE benchmarks and achieves over 20% performance gain in million-scale high-fidelity industrial simulations, whose sizes are 100times larger than previous benchmarks, covering car and 3D aircraft designs.

Partial Differential Equations (PDEs) underpin many scientific phenomena, yet traditional computational approaches often struggle with complex, nonlinear systems and irregular geometries. This paper introduces the AMG method, a Multi-Graph neural operator approach designed for efficiently solving PDEs on Arbitrary geometries. AMG leverages advanced graph-based techniques and dynamic attention mechanisms within a novel GraphFormer architecture, enabling precise management of diverse spatial domains and complex data interdependencies. By constructing multi-scale graphs to handle variable feature frequencies and a physics graph to encapsulate inherent physical properties, AMG significantly outperforms previous methods, which are typically limited to uniform grids. We present a comprehensive evaluation of AMG across six benchmarks, demonstrating its consistent superiority over existing state-of-the-art models. Our findings highlight the transformative potential of tailored graph neural operators in surmounting the challenges faced by conventional PDE solvers. Our code and datasets are available on https://github.com/lizhihao2022/AMG.

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.

Learning representations that capture the underlying data generating process is a key problem for data efficient and robust use of neural networks. One key property for robustness which the learned representation should capture and which recently received a lot of attention is described by the notion of invariance. In this work we provide a causal perspective and new algorithm for learning invariant representations. Empirically we show that this algorithm works well on a diverse set of tasks and in particular we observe state-of-the-art performance on domain generalization, where we are able to significantly boost the score of existing models.

This work investigates the use of smooth neural networks for modeling dynamic variations of implicit surfaces under the level set equation (LSE). For this, it extends the representation of neural implicit surfaces to the space-time R^3times R, which opens up mechanisms for continuous geometric transformations. Examples include evolving an initial surface towards general vector fields, smoothing and sharpening using the mean curvature equation, and interpolations of initial conditions. The network training considers two constraints. A data term is responsible for fitting the initial condition to the corresponding time instant, usually R^3 times {0}. Then, a LSE term forces the network to approximate the underlying geometric evolution given by the LSE, without any supervision. The network can also be initialized based on previously trained initial conditions, resulting in faster convergence compared to the standard approach.

Artificial neural networks for motor control usually adopt generic architectures like fully connected MLPs. While general, these tabula rasa architectures rely on large amounts of experience to learn, are not easily transferable to new bodies, and have internal dynamics that are difficult to interpret. In nature, animals are born with highly structured connectivity in their nervous systems shaped by evolution; this innate circuitry acts synergistically with learning mechanisms to provide inductive biases that enable most animals to function well soon after birth and learn efficiently. Convolutional networks inspired by visual circuitry have encoded useful biases for vision. However, it is unknown the extent to which ANN architectures inspired by neural circuitry can yield useful biases for other AI domains. In this work, we ask what advantages biologically inspired ANN architecture can provide in the domain of motor control. Specifically, we translate C. elegans locomotion circuits into an ANN model controlling a simulated Swimmer agent. On a locomotion task, our architecture achieves good initial performance and asymptotic performance comparable with MLPs, while dramatically improving data efficiency and requiring orders of magnitude fewer parameters. Our architecture is interpretable and transfers to new body designs. An ablation analysis shows that constrained excitation/inhibition is crucial for learning, while weight initialization contributes to good initial performance. Our work demonstrates several advantages of biologically inspired ANN architecture and encourages future work in more complex embodied control.

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual enumeration to determine the proper message-passing depth. Inspired by the strong searching capability of neural architecture search (NAS) in CNN, this paper proposes Graph Neural Architecture Search (GNAS) with novel-designed search space. The GNAS can automatically learn better architecture with the optimal depth of message passing on the graph. Specifically, we design Graph Neural Architecture Paradigm (GAP) with tree-topology computation procedure and two types of fine-grained atomic operations (feature filtering and neighbor aggregation) from message-passing mechanism to construct powerful graph network search space. Feature filtering performs adaptive feature selection, and neighbor aggregation captures structural information and calculates neighbors' statistics. Experiments show that our GNAS can search for better GNNs with multiple message-passing mechanisms and optimal message-passing depth. The searched network achieves remarkable improvement over state-of-the-art manual designed and search-based GNNs on five large-scale datasets at three classical graph tasks. Codes can be found at https://github.com/phython96/GNAS-MP.

We present the first dataset targeted at end-to-end NLG in Czech in the restaurant domain, along with several strong baseline models using the sequence-to-sequence approach. While non-English NLG is under-explored in general, Czech, as a morphologically rich language, makes the task even harder: Since Czech requires inflecting named entities, delexicalization or copy mechanisms do not work out-of-the-box and lexicalizing the generated outputs is non-trivial. In our experiments, we present two different approaches to this this problem: (1) using a neural language model to select the correct inflected form while lexicalizing, (2) a two-step generation setup: our sequence-to-sequence model generates an interleaved sequence of lemmas and morphological tags, which are then inflected by a morphological generator.

In this paper we present our approach to tackle the Implicit Emotion Shared Task (IEST) organized as part of WASSA 2018 at EMNLP 2018. Given a tweet, from which a certain word has been removed, we are asked to predict the emotion of the missing word. In this work, we experiment with neural Transfer Learning (TL) methods. Our models are based on LSTM networks, augmented with a self-attention mechanism. We use the weights of various pretrained models, for initializing specific layers of our networks. We leverage a big collection of unlabeled Twitter messages, for pretraining word2vec word embeddings and a set of diverse language models. Moreover, we utilize a sentiment analysis dataset for pretraining a model, which encodes emotion related information. The submitted model consists of an ensemble of the aforementioned TL models. Our team ranked 3rd out of 30 participants, achieving an F1 score of 0.703.

Nowadays, neural networks act as a synonym for artificial intelligence. Present neural network models, although remarkably powerful, are inefficient both in terms of data and energy. Several alternative forms of neural networks have been proposed to address some of these problems. Specifically, spiking neural networks are suitable for efficient hardware implementations. However, effective learning algorithms for spiking networks remain elusive, although it is suspected that effective plasticity mechanisms could alleviate the problem of data efficiency. Here, we present a new framework for spiking neural networks - Spark - built upon the idea of modular design, from simple components to entire models. The aim of this framework is to provide an efficient and streamlined pipeline for spiking neural networks. We showcase this framework by solving the sparse-reward cartpole problem with simple plasticity mechanisms. We hope that a framework compatible with traditional ML pipelines may accelerate research in the area, specifically for continuous and unbatched learning, akin to the one animals exhibit.

Deep stereo matching has advanced significantly on benchmark datasets through fine-tuning but falls short of the zero-shot generalization seen in foundation models in other vision tasks. We introduce CogStereo, a novel framework that addresses challenging regions, such as occlusions or weak textures, without relying on dataset-specific priors. CogStereo embeds implicit spatial cognition into the refinement process by using monocular depth features as priors, capturing holistic scene understanding beyond local correspondences. This approach ensures structurally coherent disparity estimation, even in areas where geometry alone is inadequate. CogStereo employs a dual-conditional refinement mechanism that combines pixel-wise uncertainty with cognition-guided features for consistent global correction of mismatches. Extensive experiments on Scene Flow, KITTI, Middlebury, ETH3D, EuRoc, and real-world demonstrate that CogStereo not only achieves state-of-the-art results but also excels in cross-domain generalization, shifting stereo vision towards a cognition-driven approach.

The informational synthesis of neural structures, processes, parameters and characteristics that allow a unified description and modeling as neural machines of natural and artificial neural systems is presented. The general informational parameters as the global quantitative measure of the neural systems computing potential as absolute and relative neural power were proposed. Neural information organizing and processing follows the way in which nature manages neural information by developing functions, functionalities and circuits related to different internal or peripheral components and also to the whole system through a non-deterministic memorization, fragmentation and aggregation of afferent and efferent information, deep neural information processing representing multiple alternations of fragmentation and aggregation stages. The relevant neural characteristics were integrated into a neural machine type model that incorporates unitary also peripheral or interface components as the central ones. The proposed approach allows overcoming the technical constraints in artificial computational implementations of neural information processes and also provides a more relevant description of natural ones.

Representing visual signals by coordinate-based deep fully-connected networks has been shown advantageous in fitting complex details and solving inverse problems than discrete grid-based representation. However, acquiring such a continuous Implicit Neural Representation (INR) requires tedious per-scene training on tons of signal measurements, which limits its practicality. In this paper, we present a generic INR framework that achieves both data and training efficiency by learning a Neural Implicit Dictionary (NID) from a data collection and representing INR as a functional combination of basis sampled from the dictionary. Our NID assembles a group of coordinate-based subnetworks which are tuned to span the desired function space. After training, one can instantly and robustly acquire an unseen scene representation by solving the coding coefficients. To parallelly optimize a large group of networks, we borrow the idea from Mixture-of-Expert (MoE) to design and train our network with a sparse gating mechanism. Our experiments show that, NID can improve reconstruction of 2D images or 3D scenes by 2 orders of magnitude faster with up to 98% less input data. We further demonstrate various applications of NID in image inpainting and occlusion removal, which are considered to be challenging with vanilla INR. Our codes are available in https://github.com/VITA-Group/Neural-Implicit-Dict.

A significant effort has been made to train neural networks that replicate algorithmic reasoning, but they often fail to learn the abstract concepts underlying these algorithms. This is evidenced by their inability to generalize to data distributions that are outside of their restricted training sets, namely larger inputs and unseen data. We study these generalization issues at the level of numerical subroutines that comprise common algorithms like sorting, shortest paths, and minimum spanning trees. First, we observe that transformer-based sequence-to-sequence models can learn subroutines like sorting a list of numbers, but their performance rapidly degrades as the length of lists grows beyond those found in the training set. We demonstrate that this is due to attention weights that lose fidelity with longer sequences, particularly when the input numbers are numerically similar. To address the issue, we propose a learned conditional masking mechanism, which enables the model to strongly generalize far outside of its training range with near-perfect accuracy on a variety of algorithms. Second, to generalize to unseen data, we show that encoding numbers with a binary representation leads to embeddings with rich structure once trained on downstream tasks like addition or multiplication. This allows the embedding to handle missing data by faithfully interpolating numbers not seen during training.

In this paper, we present Neural Phrase-based Machine Translation (NPMT). Our method explicitly models the phrase structures in output sequences using Sleep-WAke Networks (SWAN), a recently proposed segmentation-based sequence modeling method. To mitigate the monotonic alignment requirement of SWAN, we introduce a new layer to perform (soft) local reordering of input sequences. Different from existing neural machine translation (NMT) approaches, NPMT does not use attention-based decoding mechanisms. Instead, it directly outputs phrases in a sequential order and can decode in linear time. Our experiments show that NPMT achieves superior performances on IWSLT 2014 German-English/English-German and IWSLT 2015 English-Vietnamese machine translation tasks compared with strong NMT baselines. We also observe that our method produces meaningful phrases in output languages.

The strong lottery ticket hypothesis (SLTH) conjectures that high-performing subnetworks, called strong lottery tickets (SLTs), are hidden in randomly initialized neural networks. Although recent theoretical studies have established the SLTH across various neural architectures, the SLTH for transformer architectures still lacks theoretical understanding. In particular, the current theory of the SLTH does not yet account for the multi-head attention (MHA) mechanism, a core component of transformers. To address this gap, we introduce a theoretical analysis of the existence of SLTs within MHAs. We prove that, if a randomly initialized MHA of H heads and input dimension d has the hidden dimension O(dlog(Hd^{3/2})) for the key and value, it contains an SLT that approximates an arbitrary MHA with the same input dimension with high probability. Furthermore, by leveraging this theory for MHAs, we extend the SLTH to transformers without normalization layers. We empirically validate our theoretical findings, demonstrating that the approximation error between the SLT within a source model (MHA and transformer) and an approximate target counterpart decreases exponentially by increasing the hidden dimension of the source model.

Physics-Informed Neural Networks (PINNs) have emerged as a promising deep learning framework for approximating numerical solutions to partial differential equations (PDEs). However, conventional PINNs, relying on multilayer perceptrons (MLP), neglect the crucial temporal dependencies inherent in practical physics systems and thus fail to propagate the initial condition constraints globally and accurately capture the true solutions under various scenarios. In this paper, we introduce a novel Transformer-based framework, termed PINNsFormer, designed to address this limitation. PINNsFormer can accurately approximate PDE solutions by utilizing multi-head attention mechanisms to capture temporal dependencies. PINNsFormer transforms point-wise inputs into pseudo sequences and replaces point-wise PINNs loss with a sequential loss. Additionally, it incorporates a novel activation function, Wavelet, which anticipates Fourier decomposition through deep neural networks. Empirical results demonstrate that PINNsFormer achieves superior generalization ability and accuracy across various scenarios, including PINNs failure modes and high-dimensional PDEs. Moreover, PINNsFormer offers flexibility in integrating existing learning schemes for PINNs, further enhancing its performance.

Temporal graphs are widely used to model dynamic systems with time-varying interactions. In real-world scenarios, the underlying mechanisms of generating future interactions in dynamic systems are typically governed by a set of recurring substructures within the graph, known as temporal motifs. Despite the success and prevalence of current temporal graph neural networks (TGNN), it remains uncertain which temporal motifs are recognized as the significant indications that trigger a certain prediction from the model, which is a critical challenge for advancing the explainability and trustworthiness of current TGNNs. To address this challenge, we propose a novel approach, called Temporal Motifs Explainer (TempME), which uncovers the most pivotal temporal motifs guiding the prediction of TGNNs. Derived from the information bottleneck principle, TempME extracts the most interaction-related motifs while minimizing the amount of contained information to preserve the sparsity and succinctness of the explanation. Events in the explanations generated by TempME are verified to be more spatiotemporally correlated than those of existing approaches, providing more understandable insights. Extensive experiments validate the superiority of TempME, with up to 8.21% increase in terms of explanation accuracy across six real-world datasets and up to 22.96% increase in boosting the prediction Average Precision of current TGNNs.

Dynamic graph representation learning requires capturing both structural relationships and temporal evolution, yet existing approaches face a fundamental trade-off: attention-based methods achieve expressiveness at O(T^2) complexity, while recurrent architectures suffer from gradient pathologies and dense state storage. Spiking neural networks offer event-driven efficiency but remain limited by sequential propagation, binary information loss, and local aggregation that misses global context. We propose ChronoSpike, an adaptive spiking graph neural network that integrates learnable LIF neurons with per-channel membrane dynamics, multi-head attentive spatial aggregation on continuous features, and a lightweight Transformer temporal encoder, enabling both fine-grained local modeling and long-range dependency capture with linear memory complexity O(T cdot d). On three large-scale benchmarks, ChronoSpike outperforms twelve state-of-the-art baselines by 2.0% Macro-F1 and 2.4% Micro-F1 while achieving 3-10times faster training than recurrent methods with a constant 105K-parameter budget independent of graph size. We provide theoretical guarantees for membrane potential boundedness, gradient flow stability under contraction factor ρ< 1, and BIBO stability; interpretability analyses reveal heterogeneous temporal receptive fields and a learned primacy effect with 83-88% sparsity.

Non-local (NL) block is a popular module that demonstrates the capability to model global contexts. However, NL block generally has heavy computation and memory costs, so it is impractical to apply the block to high-resolution feature maps. In this paper, to investigate the efficacy of NL block, we empirically analyze if the magnitude and direction of input feature vectors properly affect the attention between vectors. The results show the inefficacy of softmax operation which is generally used to normalize the attention map of the NL block. Attention maps normalized with softmax operation highly rely upon magnitude of key vectors, and performance is degenerated if the magnitude information is removed. By replacing softmax operation with the scaling factor, we demonstrate improved performance on CIFAR-10, CIFAR-100, and Tiny-ImageNet. In Addition, our method shows robustness to embedding channel reduction and embedding weight initialization. Notably, our method makes multi-head attention employable without additional computational cost.

In recent years, neural networks have become the default choice for image classification and many other learning tasks, even though they are vulnerable to so-called adversarial attacks. To increase their robustness against these attacks, there have emerged numerous detection mechanisms that aim to automatically determine if an input is adversarial. However, state-of-the-art detection mechanisms either rely on being tuned for each type of attack, or they do not generalize across different attack types. To alleviate these issues, we propose a novel technique for adversarial-image detection, RAID, that trains a secondary classifier to identify differences in neuron activation values between benign and adversarial inputs. Our technique is both more reliable and more effective than the state of the art when evaluated against six popular attacks. Moreover, a straightforward extension of RAID increases its robustness against detection-aware adversaries without affecting its effectiveness.

Achieving agile and generalized legged locomotion across terrains requires tight integration of perception and control, especially under occlusions and sparse footholds. Existing methods have demonstrated agility on parkour courses but often rely on end-to-end sensorimotor models with limited generalization and interpretability. By contrast, methods targeting generalized locomotion typically exhibit limited agility and struggle with visual occlusions. We introduce AME-2, a unified reinforcement learning (RL) framework for agile and generalized locomotion that incorporates a novel attention-based map encoder in the control policy. This encoder extracts local and global mapping features and uses attention mechanisms to focus on salient regions, producing an interpretable and generalized embedding for RL-based control. We further propose a learning-based mapping pipeline that provides fast, uncertainty-aware terrain representations robust to noise and occlusions, serving as policy inputs. It uses neural networks to convert depth observations into local elevations with uncertainties, and fuses them with odometry. The pipeline also integrates with parallel simulation so that we can train controllers with online mapping, aiding sim-to-real transfer. We validate AME-2 with the proposed mapping pipeline on a quadruped and a biped robot, and the resulting controllers demonstrate strong agility and generalization to unseen terrains in simulation and in real-world experiments.

Large Language Models (LLMs) have demonstrated profound impact on Natural Language Processing (NLP) tasks. However, their effective deployment across diverse domains often require domain-specific adaptation strategies, as generic models may underperform when faced with specialized data distributions. Recent advances in prompt engineering (PE) offer a promising alternative to extensive retraining by refining input instructions to align LLM outputs with task objectives. This paradigm has emerged as a rapid and versatile approach for model fine-tuning. Despite its potential, manual prompt design remains labor-intensive and heavily depends on specialized expertise, often requiring iterative human effort to achieve optimal formulations. To address this limitation, automated prompt engineering methodologies have been developed to systematically generate task-specific prompts. However, current implementations predominantly employ static update rules and lack mechanisms for dynamic strategy selection, resulting in suboptimal adaptation to varying NLP task requirements. Furthermore, most methods treat and update the whole prompts at each step, without considering editing prompt sections at a finer granularity. At last, in particular, the problem of how to recycle experience in LLM is still underexplored. To this end, we propose the PromptFlow, a modular training framework inspired by TensorFlow, which integrates meta-prompts, operators, optimization, and evaluator. Our framework can be equipped with the latest optimization methods and autonomously explores optimal prompt refinement trajectories through gradient-based meta-learning, requiring minimal task-specific training data. Specifically, we devise a reinforcement learning method to recycle experience for LLM in the PE process. Finally, we conduct extensive experiments on various datasets, and demonstrate the effectiveness of PromptFlow.

The advent of single-cell technology has significantly improved our understanding of cellular states and subpopulations in various tissues under normal and diseased conditions by employing data-driven approaches such as clustering and trajectory inference. However, these methods consider cells as independent data points of population distributions. With spatial transcriptomics, we can represent cellular organization, along with dynamic cell-cell interactions that lead to changes in cell state. Still, key computational advances are necessary to enable the data-driven learning of such complex interactive cellular dynamics. While agent-based modeling (ABM) provides a powerful framework, traditional approaches rely on handcrafted rules derived from domain knowledge rather than data-driven approaches. To address this, we introduce Spatio Temporal Agent-Based Graph Evolution Dynamics(STAGED) integrating ABM with deep learning to model intercellular communication, and its effect on the intracellular gene regulatory network. Using graph ODE networks (GDEs) with shared weights per cell type, our approach represents genes as vertices and interactions as directed edges, dynamically learning their strengths through a designed attention mechanism. Trained to match continuous trajectories of simulated as well as inferred trajectories from spatial transcriptomics data, the model captures both intercellular and intracellular interactions, enabling a more adaptive and accurate representation of cellular dynamics.

Multimodal functional neuroimaging enables systematic analysis of brain mechanisms and provides discriminative representations for brain-computer interface (BCI) decoding. However, its acquisition is constrained by high costs and feasibility limitations. Moreover, underrepresentation of specific groups undermines fairness of BCI decoding model. To address these challenges, we propose a unified representation framework for multimodal functional neuroimaging via generative artificial intelligence (AI). By mapping multimodal functional neuroimaging into a unified representation space, the proposed framework is capable of generating data for acquisition-constrained modalities and underrepresented groups. Experiments show that the framework can generate data consistent with real brain activity patterns, provide insights into brain mechanisms, and improve performance on downstream tasks. More importantly, it can enhance model fairness by augmenting data for underrepresented groups. Overall, the framework offers a new paradigm for decreasing the cost of acquiring multimodal functional neuroimages and enhancing the fairness of BCI decoding models.

Recent advancements in large language models (LLMs) with billions of parameters have improved performance in various applications, but their inference processes demand significant energy and computational resources. In contrast, the human brain, with approximately 86 billion neurons, is much more energy-efficient than LLMs with similar parameters. Inspired by this, we redesign 7sim70 billion parameter LLMs using bio-plausible spiking mechanisms, emulating the efficient behavior of the human brain. We propose the first spiking large language model, SpikeLLM. Coupled with the proposed model, two essential approaches are proposed to improve spike training efficiency: Generalized Integrate-and-Fire (GIF) neurons to compress spike length from T to T{L} log_2 L bits, and an Optimal Brain Spiking framework to divide outlier channels and allocate different T for GIF neurons, which further compresses spike length to approximate log_2T bits. The necessity of spike-driven LLM is proved by comparison with quantized LLMs with similar operations. In the OmniQuant pipeline, SpikeLLM reduces 11.01% WikiText2 perplexity and improves 2.55% accuracy of common scene reasoning on a LLAMA-7B W4A4 model. In the GPTQ pipeline, SpikeLLM achieves direct additive in linear layers, significantly exceeding PB-LLMs.

Existing neural operator architectures face challenges when solving multiphysics problems with coupled partial differential equations (PDEs) due to complex geometries, interactions between physical variables, and the limited amounts of high-resolution training data. To address these issues, we propose Codomain Attention Neural Operator (CoDA-NO), which tokenizes functions along the codomain or channel space, enabling self-supervised learning or pretraining of multiple PDE systems. Specifically, we extend positional encoding, self-attention, and normalization layers to function spaces. CoDA-NO can learn representations of different PDE systems with a single model. We evaluate CoDA-NO's potential as a backbone for learning multiphysics PDEs over multiple systems by considering few-shot learning settings. On complex downstream tasks with limited data, such as fluid flow simulations, fluid-structure interactions, and Rayleigh-B\'enard convection, we found CoDA-NO to outperform existing methods by over 36%.

Mixup is a data augmentation strategy that employs convex combinations of training instances and their respective labels to augment the robustness and calibration of deep neural networks. Despite its widespread adoption, the nuanced mechanisms that underpin its success are not entirely understood. The observed phenomenon of Neural Collapse, where the last-layer activations and classifier of deep networks converge to a simplex equiangular tight frame (ETF), provides a compelling motivation to explore whether mixup induces alternative geometric configurations and whether those could explain its success. In this study, we delve into the last-layer activations of training data for deep networks subjected to mixup, aiming to uncover insights into its operational efficacy. Our investigation, spanning various architectures and dataset pairs, reveals that mixup's last-layer activations predominantly converge to a distinctive configuration different than one might expect. In this configuration, activations from mixed-up examples of identical classes align with the classifier, while those from different classes delineate channels along the decision boundary. Moreover, activations in earlier layers exhibit patterns, as if trained with manifold mixup. These findings are unexpected, as mixed-up features are not simple convex combinations of feature class means (as one might get, for example, by training mixup with the mean squared error loss). By analyzing this distinctive geometric configuration, we elucidate the mechanisms by which mixup enhances model calibration. To further validate our empirical observations, we conduct a theoretical analysis under the assumption of an unconstrained features model, utilizing the mixup loss. Through this, we characterize and derive the optimal last-layer features under the assumption that the classifier forms a simplex ETF.

The process of painting fosters creativity and rational planning. However, existing generative AI mostly focuses on producing visually pleasant artworks, without emphasizing the painting process. We introduce a novel task, Collaborative Neural Painting (CNP), to facilitate collaborative art painting generation between humans and machines. Given any number of user-input brushstrokes as the context or just the desired object class, CNP should produce a sequence of strokes supporting the completion of a coherent painting. Importantly, the process can be gradual and iterative, so allowing users' modifications at any phase until the completion. Moreover, we propose to solve this task using a painting representation based on a sequence of parametrized strokes, which makes it easy both editing and composition operations. These parametrized strokes are processed by a Transformer-based architecture with a novel attention mechanism to model the relationship between the input strokes and the strokes to complete. We also propose a new masking scheme to reflect the interactive nature of CNP and adopt diffusion models as the basic learning process for its effectiveness and diversity in the generative field. Finally, to develop and validate methods on the novel task, we introduce a new dataset of painted objects and an evaluation protocol to benchmark CNP both quantitatively and qualitatively. We demonstrate the effectiveness of our approach and the potential of the CNP task as a promising avenue for future research.

Contextual spelling correction models are an alternative to shallow fusion to improve automatic speech recognition (ASR) quality given user vocabulary. To deal with large user vocabularies, most of these models include candidate retrieval mechanisms, usually based on minimum edit distance between fragments of ASR hypothesis and user phrases. However, the edit-distance approach is slow, non-trainable, and may have low recall as it relies only on common letters. We propose: 1) a novel algorithm for candidate retrieval, based on misspelled n-gram mappings, which gives up to 90% recall with just the top 10 candidates on Spoken Wikipedia; 2) a non-autoregressive neural model based on BERT architecture, where the initial transcript and ten candidates are combined into one input. The experiments on Spoken Wikipedia show 21.4% word error rate improvement compared to a baseline ASR system.

Data heterogeneity is an inherent challenge that hinders the performance of federated learning (FL). Recent studies have identified the biased classifiers of local models as the key bottleneck. Previous attempts have used classifier calibration after FL training, but this approach falls short in improving the poor feature representations caused by training-time classifier biases. Resolving the classifier bias dilemma in FL requires a full understanding of the mechanisms behind the classifier. Recent advances in neural collapse have shown that the classifiers and feature prototypes under perfect training scenarios collapse into an optimal structure called simplex equiangular tight frame (ETF). Building on this neural collapse insight, we propose a solution to the FL's classifier bias problem by utilizing a synthetic and fixed ETF classifier during training. The optimal classifier structure enables all clients to learn unified and optimal feature representations even under extremely heterogeneous data. We devise several effective modules to better adapt the ETF structure in FL, achieving both high generalization and personalization. Extensive experiments demonstrate that our method achieves state-of-the-art performances on CIFAR-10, CIFAR-100, and Tiny-ImageNet.

Plasticity, the ability of a neural network to quickly change its predictions in response to new information, is essential for the adaptability and robustness of deep reinforcement learning systems. Deep neural networks are known to lose plasticity over the course of training even in relatively simple learning problems, but the mechanisms driving this phenomenon are still poorly understood. This paper conducts a systematic empirical analysis into plasticity loss, with the goal of understanding the phenomenon mechanistically in order to guide the future development of targeted solutions. We find that loss of plasticity is deeply connected to changes in the curvature of the loss landscape, but that it typically occurs in the absence of saturated units or divergent gradient norms. Based on this insight, we identify a number of parameterization and optimization design choices which enable networks to better preserve plasticity over the course of training. We validate the utility of these findings in larger-scale learning problems by applying the best-performing intervention, layer normalization, to a deep RL agent trained on the Arcade Learning Environment.

In a typical video conferencing setup, it is hard to maintain eye contact during a call since it requires looking into the camera rather than the display. We propose an eye contact correction model that restores the eye contact regardless of the relative position of the camera and display. Unlike previous solutions, our model redirects the gaze from an arbitrary direction to the center without requiring a redirection angle or camera/display/user geometry as inputs. We use a deep convolutional neural network that inputs a monocular image and produces a vector field and a brightness map to correct the gaze. We train this model in a bi-directional way on a large set of synthetically generated photorealistic images with perfect labels. The learned model is a robust eye contact corrector which also predicts the input gaze implicitly at no additional cost. Our system is primarily designed to improve the quality of video conferencing experience. Therefore, we use a set of control mechanisms to prevent creepy results and to ensure a smooth and natural video conferencing experience. The entire eye contact correction system runs end-to-end in real-time on a commodity CPU and does not require any dedicated hardware, making our solution feasible for a variety of devices.

Alternatives to recurrent neural networks, in particular, architectures based on attention or convolutions, have been gaining momentum for processing input sequences. In spite of their relevance, the computational properties of these alternatives have not yet been fully explored. We study the computational power of two of the most paradigmatic architectures exemplifying these mechanisms: the Transformer (Vaswani et al., 2017) and the Neural GPU (Kaiser & Sutskever, 2016). We show both models to be Turing complete exclusively based on their capacity to compute and access internal dense representations of the data. In particular, neither the Transformer nor the Neural GPU requires access to an external memory to become Turing complete. Our study also reveals some minimal sets of elements needed to obtain these completeness results.

In this paper, we apply different NMT models to the problem of historical spelling normalization for five languages: English, German, Hungarian, Icelandic, and Swedish. The NMT models are at different levels, have different attention mechanisms, and different neural network architectures. Our results show that NMT models are much better than SMT models in terms of character error rate. The vanilla RNNs are competitive to GRUs/LSTMs in historical spelling normalization. Transformer models perform better only when provided with more training data. We also find that subword-level models with a small subword vocabulary are better than character-level models for low-resource languages. In addition, we propose a hybrid method which further improves the performance of historical spelling normalization.

We perform an average case analysis of the generalization dynamics of large neural networks trained using gradient descent. We study the practically-relevant "high-dimensional" regime where the number of free parameters in the network is on the order of or even larger than the number of examples in the dataset. Using random matrix theory and exact solutions in linear models, we derive the generalization error and training error dynamics of learning and analyze how they depend on the dimensionality of data and signal to noise ratio of the learning problem. We find that the dynamics of gradient descent learning naturally protect against overtraining and overfitting in large networks. Overtraining is worst at intermediate network sizes, when the effective number of free parameters equals the number of samples, and thus can be reduced by making a network smaller or larger. Additionally, in the high-dimensional regime, low generalization error requires starting with small initial weights. We then turn to non-linear neural networks, and show that making networks very large does not harm their generalization performance. On the contrary, it can in fact reduce overtraining, even without early stopping or regularization of any sort. We identify two novel phenomena underlying this behavior in overcomplete models: first, there is a frozen subspace of the weights in which no learning occurs under gradient descent; and second, the statistical properties of the high-dimensional regime yield better-conditioned input correlations which protect against overtraining. We demonstrate that naive application of worst-case theories such as Rademacher complexity are inaccurate in predicting the generalization performance of deep neural networks, and derive an alternative bound which incorporates the frozen subspace and conditioning effects and qualitatively matches the behavior observed in simulation.

Artificial neural networks achieve strong performance on benchmark tasks but remain fundamentally brittle under perturbations, limiting their deployment in real-world settings. In contrast, biological nervous systems sustain reliable function across decades through homeostatic regulation coordinated across multiple temporal scales. Inspired by this principle, this presents Multi-Scale Temporal Homeostasis (MSTH), a biologically grounded framework that integrates ultra-fast (5-ms), fast (2-s), medium (5-min) and slow (1-hrs) regulation into artificial networks. MSTH implements the cross-scale coordination system for artificial neural networks, providing a unified temporal hierarchy that moves beyond superficial biomimicry. The cross-scale coordination enhances computational efficiency through evolutionary-refined optimization mechanisms. Experiments across molecular, graph and image classification benchmarks show that MSTH consistently improves accuracy, eliminates catastrophic failures and enhances recovery from perturbations. Moreover, MSTH outperforms both single-scale bio-inspired models and established state-of-the-art methods, demonstrating generality across diverse domains. These findings establish cross-scale temporal coordination as a core principle for stabilizing artificial neural systems, positioning MSTH as a foundation for building robust, resilient and biologically faithful intelligence.

Recent advances in machine learning (ML) have spotlighted the pressing need for computing architectures that bridge the gap between memory bandwidth and processing power. The advent of deep neural networks has pushed traditional Von Neumann architectures to their limits due to the high latency and energy consumption costs associated with data movement between the processor and memory for these workloads. One of the solutions to overcome this bottleneck is to perform computation within the main memory through processing-in-memory (PIM), thereby limiting data movement and the costs associated with it. However, DRAM-based PIM struggles to achieve high throughput and energy efficiency due to internal data movement bottlenecks and the need for frequent refresh operations. In this work, we introduce OPIMA, a PIM-based ML accelerator, architected within an optical main memory. OPIMA has been designed to leverage the inherent massive parallelism within main memory while performing high-speed, low-energy optical computation to accelerate ML models based on convolutional neural networks. We present a comprehensive analysis of OPIMA to guide design choices and operational mechanisms. Additionally, we evaluate the performance and energy consumption of OPIMA, comparing it with conventional electronic computing systems and emerging photonic PIM architectures. The experimental results show that OPIMA can achieve 2.98x higher throughput and 137x better energy efficiency than the best-known prior work.

This work presents an analysis of the effectiveness of using standard shallow feed-forward networks to mimic the behavior of the attention mechanism in the original Transformer model, a state-of-the-art architecture for sequence-to-sequence tasks. We substitute key elements of the attention mechanism in the Transformer with simple feed-forward networks, trained using the original components via knowledge distillation. Our experiments, conducted on the IWSLT2017 dataset, reveal the capacity of these "attentionless Transformers" to rival the performance of the original architecture. Through rigorous ablation studies, and experimenting with various replacement network types and sizes, we offer insights that support the viability of our approach. This not only sheds light on the adaptability of shallow feed-forward networks in emulating attention mechanisms but also underscores their potential to streamline complex architectures for sequence-to-sequence tasks.

We present Gabliteration, a novel neural weight modification technique that advances beyond traditional abliteration methods by implementing adaptive multi-directional projections with regularized layer selection. Our approach addresses the fundamental limitation of existing methods that compromise model quality while attempting to modify specific behavioral patterns. Through dynamic layer optimization, regularized projection matrices, and adaptive scaling mechanisms, we achieve theoretically superior weight modification while minimizing quality degradation in unrelated domains. We validate our method through the gabliterated-v1 model series (0.6B to 4B parameters) available on Hugging Face, demonstrating practical applicability across multiple model scales.

The deployment of Deep Neural Networks (DNNs) on edge devices is hindered by the substantial gap between performance requirements and available processing power. While recent research has made significant strides in developing pruning methods to build a sparse network for reducing the computing overhead of DNNs, there remains considerable accuracy loss, especially at high pruning ratios. We find that the architectures designed for dense networks by differentiable architecture search methods are ineffective when pruning mechanisms are applied to them. The main reason is that the current method does not support sparse architectures in their search space and uses a search objective that is made for dense networks and does not pay any attention to sparsity. In this paper, we propose a new method to search for sparsity-friendly neural architectures. We do this by adding two new sparse operations to the search space and modifying the search objective. We propose two novel parametric SparseConv and SparseLinear operations in order to expand the search space to include sparse operations. In particular, these operations make a flexible search space due to using sparse parametric versions of linear and convolution operations. The proposed search objective lets us train the architecture based on the sparsity of the search space operations. Quantitative analyses demonstrate that our search architectures outperform those used in the stateof-the-art sparse networks on the CIFAR-10 and ImageNet datasets. In terms of performance and hardware effectiveness, DASS increases the accuracy of the sparse version of MobileNet-v2 from 73.44% to 81.35% (+7.91% improvement) with 3.87x faster inference time.

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set, models used to address them should be permutation invariant. We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing point methods from sparse Gaussian process literature. It reduces the computation time of self-attention from quadratic to linear in the number of elements in the set. We show that our model is theoretically attractive and we evaluate it on a range of tasks, demonstrating the state-of-the-art performance compared to recent methods for set-structured data.

Humans and animals have the ability to continually acquire, fine-tune, and transfer knowledge and skills throughout their lifespan. This ability, referred to as lifelong learning, is mediated by a rich set of neurocognitive mechanisms that together contribute to the development and specialization of our sensorimotor skills as well as to long-term memory consolidation and retrieval. Consequently, lifelong learning capabilities are crucial for autonomous agents interacting in the real world and processing continuous streams of information. However, lifelong learning remains a long-standing challenge for machine learning and neural network models since the continual acquisition of incrementally available information from non-stationary data distributions generally leads to catastrophic forgetting or interference. This limitation represents a major drawback for state-of-the-art deep neural network models that typically learn representations from stationary batches of training data, thus without accounting for situations in which information becomes incrementally available over time. In this review, we critically summarize the main challenges linked to lifelong learning for artificial learning systems and compare existing neural network approaches that alleviate, to different extents, catastrophic forgetting. We discuss well-established and emerging research motivated by lifelong learning factors in biological systems such as structural plasticity, memory replay, curriculum and transfer learning, intrinsic motivation, and multisensory integration.

Recurrent neural networks (RNNs) are a cornerstone of sequence modeling across various scientific and industrial applications. Owing to their versatility, numerous RNN variants have been proposed over the past decade, aiming to improve the modeling of long-term dependencies and to address challenges such as vanishing and exploding gradients. However, no central library is available to test these variations, and reimplementing diverse architectures can be time-consuming and error-prone, limiting reproducibility and exploration. Here, we introduce three open-source libraries in Julia and Python that centralize numerous recurrent cell implementations and higher-level recurrent architectures. torchrecurrent, RecurrentLayers.jl, and LuxRecurrentLayers.jl offer a consistent framework for constructing and extending RNN models, providing built-in mechanisms for customization and experimentation. All packages are available under the MIT license and actively maintained on GitHub.

Spiking Neural Networks (SNNs) are computational models inspired by the structure and dynamics of biological neuronal networks. Their event-driven nature enables them to achieve high energy efficiency, particularly when deployed on neuromorphic hardware platforms. Unlike conventional Artificial Neural Networks (ANNs), which primarily rely on layered architectures, SNNs naturally support a wide range of connectivity patterns, from traditional layered structures to small-world graphs characterized by locally dense and globally sparse connections. In this work, we introduce NeuroCoreX, an FPGA-based emulator designed for the flexible co-design and testing of SNNs. NeuroCoreX supports all-to-all connectivity, providing the capability to implement diverse network topologies without architectural restrictions. It features a biologically motivated local learning mechanism based on Spike-Timing-Dependent Plasticity (STDP). The neuron model implemented within NeuroCoreX is the Leaky Integrate-and-Fire (LIF) model, with current-based synapses facilitating spike integration and transmission . A Universal Asynchronous Receiver-Transmitter (UART) interface is provided for programming and configuring the network parameters, including neuron, synapse, and learning rule settings. Users interact with the emulator through a simple Python-based interface, streamlining SNN deployment from model design to hardware execution. NeuroCoreX is released as an open-source framework, aiming to accelerate research and development in energy-efficient, biologically inspired computing.

The advent of the Transformer has led to the development of large language models (LLM), which appear to demonstrate human-like capabilities. To assess the generality of this class of models and a variety of other base neural network architectures to multimodal domains, we evaluated and compared their capacity for multimodal generalization. We introduce a multimodal question-answer benchmark to evaluate three specific types of out-of-distribution (OOD) generalization performance: distractor generalization (generalization in the presence of distractors), systematic compositional generalization (generalization to new task permutations), and productive compositional generalization (generalization to more complex tasks structures). We found that across model architectures (e.g., RNNs, Transformers, Perceivers, etc.), models with multiple attention layers, or models that leveraged cross-attention mechanisms between input domains, fared better. Our positive results demonstrate that for multimodal distractor and systematic generalization, either cross-modal attention or models with deeper attention layers are key architectural features required to integrate multimodal inputs. On the other hand, neither of these architectural features led to productive generalization, suggesting fundamental limitations of existing architectures for specific types of multimodal generalization. These results demonstrate the strengths and limitations of specific architectural components underlying modern neural models for multimodal reasoning. Finally, we provide Generic COG (gCOG), a configurable benchmark with several multimodal generalization splits, for future studies to explore.

Recent extensions of Cellular Automata (CA) have incorporated key ideas from modern deep learning, dramatically extending their capabilities and catalyzing a new family of Neural Cellular Automata (NCA) techniques. Inspired by Transformer-based architectures, our work presents a new class of attention-based NCAs formed using a spatially localizedx2014yet globally organizedx2014self-attention scheme. We introduce an instance of this class named Vision Transformer Cellular Automata (ViTCA). We present quantitative and qualitative results on denoising autoencoding across six benchmark datasets, comparing ViTCA to a U-Net, a U-Net-based CA baseline (UNetCA), and a Vision Transformer (ViT). When comparing across architectures configured to similar parameter complexity, ViTCA architectures yield superior performance across all benchmarks and for nearly every evaluation metric. We present an ablation study on various architectural configurations of ViTCA, an analysis of its effect on cell states, and an investigation on its inductive biases. Finally, we examine its learned representations via linear probes on its converged cell state hidden representations, yielding, on average, superior results when compared to our U-Net, ViT, and UNetCA baselines.

Medical image analysis continues to hold interesting challenges given the subtle characteristics of certain diseases and the significant overlap in appearance between diseases. In this work, we explore the concept of self-attention for tackling such subtleties in and between diseases. To this end, we introduce MEDUSA, a multi-scale encoder-decoder self-attention mechanism tailored for medical image analysis. While self-attention deep convolutional neural network architectures in existing literature center around the notion of multiple isolated lightweight attention mechanisms with limited individual capacities being incorporated at different points in the network architecture, MEDUSA takes a significant departure from this notion by possessing a single, unified self-attention mechanism with significantly higher capacity with multiple attention heads feeding into different scales in the network architecture. To the best of the authors' knowledge, this is the first "single body, multi-scale heads" realization of self-attention and enables explicit global context amongst selective attention at different levels of representational abstractions while still enabling differing local attention context at individual levels of abstractions. With MEDUSA, we obtain state-of-the-art performance on multiple challenging medical image analysis benchmarks including COVIDx, RSNA RICORD, and RSNA Pneumonia Challenge when compared to previous work. Our MEDUSA model is publicly available.

The capability of the self-attention mechanism to model the long-range dependencies has catapulted its deployment in vision models. Unlike convolution operators, self-attention offers infinite receptive field and enables compute-efficient modeling of global dependencies. However, the existing state-of-the-art attention mechanisms incur high compute and/or parameter overheads, and hence unfit for compact convolutional neural networks (CNNs). In this work, we propose a simple yet effective "Ultra-Lightweight Subspace Attention Mechanism" (ULSAM), which infers different attention maps for each feature map subspace. We argue that leaning separate attention maps for each feature subspace enables multi-scale and multi-frequency feature representation, which is more desirable for fine-grained image classification. Our method of subspace attention is orthogonal and complementary to the existing state-of-the-arts attention mechanisms used in vision models. ULSAM is end-to-end trainable and can be deployed as a plug-and-play module in the pre-existing compact CNNs. Notably, our work is the first attempt that uses a subspace attention mechanism to increase the efficiency of compact CNNs. To show the efficacy of ULSAM, we perform experiments with MobileNet-V1 and MobileNet-V2 as backbone architectures on ImageNet-1K and three fine-grained image classification datasets. We achieve approx13% and approx25% reduction in both the FLOPs and parameter counts of MobileNet-V2 with a 0.27% and more than 1% improvement in top-1 accuracy on the ImageNet-1K and fine-grained image classification datasets (respectively). Code and trained models are available at https://github.com/Nandan91/ULSAM.

Traditional sequence-to-sequence (seq2seq) models and other variations of the attention-mechanism such as hierarchical attention have been applied to the text summarization problem. Though there is a hierarchy in the way humans use language by forming paragraphs from sentences and sentences from words, hierarchical models have usually not worked that much better than their traditional seq2seq counterparts. This effect is mainly because either the hierarchical attention mechanisms are too sparse using hard attention or noisy using soft attention. In this paper, we propose a method based on extracting the highlights of a document; a key concept that is conveyed in a few sentences. In a typical text summarization dataset consisting of documents that are 800 tokens in length (average), capturing long-term dependencies is very important, e.g., the last sentence can be grouped with the first sentence of a document to form a summary. LSTMs (Long Short-Term Memory) proved useful for machine translation. However, they often fail to capture long-term dependencies while modeling long sequences. To address these issues, we have adapted Neural Semantic Encoders (NSE) to text summarization, a class of memory-augmented neural networks by improving its functionalities and proposed a novel hierarchical NSE that outperforms similar previous models significantly. The quality of summarization was improved by augmenting linguistic factors, namely lemma, and Part-of-Speech (PoS) tags, to each word in the dataset for improved vocabulary coverage and generalization. The hierarchical NSE model on factored dataset outperformed the state-of-the-art by nearly 4 ROUGE points. We further designed and used the first GPU-based self-critical Reinforcement Learning model.

The science of fractography revolves around the correlation between topographic characteristics of the fracture surface and the mechanisms and external conditions leading to their creation. While being a topic of investigation for centuries, it has remained mostly qualitative to date. A quantitative analysis of fracture surfaces is of prime interest for both the scientific community and the industrial sector, bearing the potential for improved understanding on the mechanisms controlling the fracture process and at the same time assessing the reliability of computational models currently being used for material design. With new advances in the field of image analysis, and specifically with machine learning tools becoming more accessible and reliable, it is now feasible to automate the process of extracting meaningful information from fracture surface images. Here, we propose a method of identifying and quantifying the relative appearance of intergranular and transgranular fracture events from scanning electron microscope images. The newly proposed method is based on a convolutional neural network algorithm for semantic segmentation. The proposed method is extensively tested and evaluated against two ceramic material systems (Al_2O_3,MgAl_2O_4) and shows high prediction accuracy, despite being trained on only one material system (MgAl_2O_4). While here attention is focused on brittle fracture characteristics, the method can be easily extended to account for other fracture morphologies, such as dimples, fatigue striations, etc.

With the rapid development of fashion market, the customers' demands of customers for fashion recommendation are rising. In this paper, we aim to investigate a practical problem of fashion recommendation by answering the question "which item should we select to match with the given fashion items and form a compatible outfit". The key to this problem is to estimate the outfit compatibility. Previous works which focus on the compatibility of two items or represent an outfit as a sequence fail to make full use of the complex relations among items in an outfit. To remedy this, we propose to represent an outfit as a graph. In particular, we construct a Fashion Graph, where each node represents a category and each edge represents interaction between two categories. Accordingly, each outfit can be represented as a subgraph by putting items into their corresponding category nodes. To infer the outfit compatibility from such a graph, we propose Node-wise Graph Neural Networks (NGNN) which can better model node interactions and learn better node representations. In NGNN, the node interaction on each edge is different, which is determined by parameters correlated to the two connected nodes. An attention mechanism is utilized to calculate the outfit compatibility score with learned node representations. NGNN can not only be used to model outfit compatibility from visual or textual modality but also from multiple modalities. We conduct experiments on two tasks: (1) Fill-in-the-blank: suggesting an item that matches with existing components of outfit; (2) Compatibility prediction: predicting the compatibility scores of given outfits. Experimental results demonstrate the great superiority of our proposed method over others.