Daily Papers

Many real-world problems require reasoning across multiple scales, demanding models which operate not on single data points, but on entire distributions. We introduce generative distribution embeddings (GDE), a framework that lifts autoencoders to the space of distributions. In GDEs, an encoder acts on sets of samples, and the decoder is replaced by a generator which aims to match the input distribution. This framework enables learning representations of distributions by coupling conditional generative models with encoder networks which satisfy a criterion we call distributional invariance. We show that GDEs learn predictive sufficient statistics embedded in the Wasserstein space, such that latent GDE distances approximately recover the W_2 distance, and latent interpolation approximately recovers optimal transport trajectories for Gaussian and Gaussian mixture distributions. We systematically benchmark GDEs against existing approaches on synthetic datasets, demonstrating consistently stronger performance. We then apply GDEs to six key problems in computational biology: learning representations of cell populations from lineage-tracing data (150K cells), predicting perturbation effects on single-cell transcriptomes (1M cells), predicting perturbation effects on cellular phenotypes (20M single-cell images), modeling tissue-specific DNA methylation patterns (253M sequences), designing synthetic yeast promoters (34M sequences), and spatiotemporal modeling of viral protein sequences (1M sequences).

When the performance of a machine learning model varies over groups defined by sensitive attributes (e.g., gender or ethnicity), the performance disparity can be expressed in terms of the probability distributions of the input and output variables over each group. In this paper, we exploit this fact to reduce the disparate impact of a fixed classification model over a population of interest. Given a black-box classifier, we aim to eliminate the performance gap by perturbing the distribution of input variables for the disadvantaged group. We refer to the perturbed distribution as a counterfactual distribution, and characterize its properties for common fairness criteria. We introduce a descent algorithm to learn a counterfactual distribution from data. We then discuss how the estimated distribution can be used to build a data preprocessor that can reduce disparate impact without training a new model. We validate our approach through experiments on real-world datasets, showing that it can repair different forms of disparity without a significant drop in accuracy.

While neural networks have been remarkably successful in a wide array of applications, implementing them in resource-constrained hardware remains an area of intense research. By replacing the weights of a neural network with quantized (e.g., 4-bit, or binary) counterparts, massive savings in computation cost, memory, and power consumption are attained. To that end, we generalize a post-training neural-network quantization method, GPFQ, that is based on a greedy path-following mechanism. Among other things, we propose modifications to promote sparsity of the weights, and rigorously analyze the associated error. Additionally, our error analysis expands the results of previous work on GPFQ to handle general quantization alphabets, showing that for quantizing a single-layer network, the relative square error essentially decays linearly in the number of weights -- i.e., level of over-parametrization. Our result holds across a range of input distributions and for both fully-connected and convolutional architectures thereby also extending previous results. To empirically evaluate the method, we quantize several common architectures with few bits per weight, and test them on ImageNet, showing only minor loss of accuracy compared to unquantized models. We also demonstrate that standard modifications, such as bias correction and mixed precision quantization, further improve accuracy.

We analyze the convergence of (stochastic) gradient descent algorithm for learning a convolutional filter with Rectified Linear Unit (ReLU) activation function. Our analysis does not rely on any specific form of the input distribution and our proofs only use the definition of ReLU, in contrast with previous works that are restricted to standard Gaussian input. We show that (stochastic) gradient descent with random initialization can learn the convolutional filter in polynomial time and the convergence rate depends on the smoothness of the input distribution and the closeness of patches. To the best of our knowledge, this is the first recovery guarantee of gradient-based algorithms for convolutional filter on non-Gaussian input distributions. Our theory also justifies the two-stage learning rate strategy in deep neural networks. While our focus is theoretical, we also present experiments that illustrate our theoretical findings.

Writing competitive programming problems is exacting. Authors must: set constraints, input distributions, and edge cases that rule out shortcuts; target specific algorithms (e.g., max-flow, dynamic programming, data structures); and calibrate complexity beyond the reach of most competitors. We argue that this makes for an ideal test of general large language model capabilities and study whether they can do this reliably. We introduce AutoCode, which uses multiple rounds of validation to yield competition-grade problem statements and test cases. On held-out problems, AutoCode test suites approach 99% consistency with official judgments, a significant improvement over current state-of-the-art methods like HardTests, which achieve less than 81%. Furthermore, starting with a random seed problem, AutoCode can create novel variants with reference and brute-force solutions. By cross-verifying these generated solutions against test cases, we can further filter out malformed problems. Our system ensures high correctness, as verified by human experts. AutoCode successfully produces novel problems judged by Grandmaster-level (top 0.3%) competitive programmers to be of contest quality.

Large pre-trained models decay over long-term deployment as input distributions shift, user requirements change, or crucial knowledge gaps are discovered. Recently, model editors have been proposed to modify a model's behavior by adjusting its weights during deployment. However, when editing the same model multiple times, these approaches quickly decay a model's performance on upstream data and forget how to fix previous errors. We propose and study a novel Lifelong Model Editing setting, where streaming errors are identified for a deployed model and we update the model to correct its predictions without influencing unrelated inputs without access to training edits, exogenous datasets, or any upstream data for the edited model. To approach this problem, we introduce General Retrieval Adaptors for Continual Editing, or GRACE, which learns to cache a chosen layer's activations in an adaptive codebook as edits stream in, leaving original model weights frozen. GRACE can thus edit models thousands of times in a row using only streaming errors, without influencing unrelated inputs. Experimentally, we show that GRACE improves over recent alternatives and generalizes to unseen inputs. Our code is available at https://www.github.com/thartvigsen/grace.

Deep learning (e.g., Transformer) has been widely and successfully used in multivariate time series forecasting (MTSF). Unlike existing methods that focus on training models from a single modal of time series input, large language models (LLMs) based MTSF methods with cross-modal text and time series input have recently shown great superiority, especially with limited temporal data. However, current LLM-based MTSF methods usually focus on adapting and fine-tuning LLMs, while neglecting the distribution discrepancy between textual and temporal input tokens, thus leading to sub-optimal performance. To address this issue, we propose a novel Cross-Modal LLM Fine-Tuning (CALF) framework for MTSF by reducing the distribution discrepancy between textual and temporal data, which mainly consists of the temporal target branch with temporal input and the textual source branch with aligned textual input. To reduce the distribution discrepancy, we develop the cross-modal match module to first align cross-modal input distributions. Additionally, to minimize the modality distribution gap in both feature and output spaces, feature regularization loss is developed to align the intermediate features between the two branches for better weight updates, while output consistency loss is introduced to allow the output representations of both branches to correspond effectively. Thanks to the modality alignment, CALF establishes state-of-the-art performance for both long-term and short-term forecasting tasks with low computational complexity, and exhibiting favorable few-shot and zero-shot abilities similar to that in LLMs. Code is available at https://github.com/Hank0626/LLaTA.

Mining data streams with multi-label outputs poses significant challenges due to evolving distributions, high-dimensional label spaces, sparse label occurrences, and complex label dependencies. Moreover, concept drift affects not only input distributions but also label correlations and imbalance ratios over time, complicating model adaptation. To address these challenges, structured learners are categorized into local and global methods. Local methods break down the task into simpler components, while global methods adapt the algorithm to the full output space, potentially yielding better predictions by exploiting label correlations. This work introduces iHOMER (Incremental Hierarchy Of Multi-label Classifiers), an online multi-label learning framework that incrementally partitions the label space into disjoint, correlated clusters without relying on predefined hierarchies. iHOMER leverages online divisive-agglomerative clustering based on Jaccard similarity and a global tree-based learner driven by a multivariate Bernoulli process to guide instance partitioning. To address non-stationarity, it integrates drift detection mechanisms at both global and local levels, enabling dynamic restructuring of label partitions and subtrees. Experiments across 23 real-world datasets show iHOMER outperforms 5 state-of-the-art global baselines, such as MLHAT, MLHT of Pruned Sets and iSOUPT, by 23\%, and 12 local baselines, such as binary relevance transformations of kNN, EFDT, ARF, and ADWIN bagging/boosting ensembles, by 32\%, establishing its robustness for online multi-label classification.

Transformer is a transformative framework that models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys enable us to replace most of the expensive multiply-accumulate operations in attention with simple accumulations to save considerable on-chip energy footprint on edge devices. Extensive experiments on both vision and language tasks show that EcoFormer consistently achieves comparable performance with standard attentions while consuming much fewer resources. For example, based on PVTv2-B0 and ImageNet-1K, Ecoformer achieves a 73% on-chip energy footprint reduction with only a 0.33% performance drop compared to the standard attention. Code is available at https://github.com/ziplab/EcoFormer.

Test-time adaptation (TTA) is the problem of updating a pre-trained source model at inference time given test input(s) from a different target domain. Most existing TTA approaches assume the setting in which the target domain is stationary, i.e., all the test inputs come from a single target domain. However, in many practical settings, the test input distribution might exhibit a lifelong/continual shift over time. Moreover, existing TTA approaches also lack the ability to provide reliable uncertainty estimates, which is crucial when distribution shifts occur between the source and target domain. To address these issues, we present PETAL (Probabilistic lifElong Test-time Adaptation with seLf-training prior), which solves lifelong TTA using a probabilistic approach, and naturally results in (1) a student-teacher framework, where the teacher model is an exponential moving average of the student model, and (2) regularizing the model updates at inference time using the source model as a regularizer. To prevent model drift in the lifelong/continual TTA setting, we also propose a data-driven parameter restoration technique which contributes to reducing the error accumulation and maintaining the knowledge of recent domains by restoring only the irrelevant parameters. In terms of predictive error rate as well as uncertainty based metrics such as Brier score and negative log-likelihood, our method achieves better results than the current state-of-the-art for online lifelong test-time adaptation across various benchmarks, such as CIFAR-10C, CIFAR-100C, ImageNetC, and ImageNet3DCC datasets. The source code for our approach is accessible at https://github.com/dhanajitb/petal.

Steering vectors are a promising approach to control the behaviour of large language models. However, their underlying mechanisms remain poorly understood. While sparse autoencoders (SAEs) may offer a potential method to interpret steering vectors, recent findings show that SAE-reconstructed vectors often lack the steering properties of the original vectors. This paper investigates why directly applying SAEs to steering vectors yields misleading decompositions, identifying two reasons: (1) steering vectors fall outside the input distribution for which SAEs are designed, and (2) steering vectors can have meaningful negative projections in feature directions, which SAEs are not designed to accommodate. These limitations hinder the direct use of SAEs for interpreting steering vectors.

Eliciting reasoning capabilities from language models (LMs) is a critical direction on the path towards building intelligent systems. Most recent studies dedicated to reasoning focus on out-of-distribution performance on procedurally-generated synthetic benchmarks, bespoke-built to evaluate specific skills only. This trend makes results hard to transfer across publications, slowing down progress. Three years ago, a similar issue was identified and rectified in the field of neural algorithmic reasoning, with the advent of the CLRS benchmark. CLRS is a dataset generator comprising graph execution traces of classical algorithms from the Introduction to Algorithms textbook. Inspired by this, we propose CLRS-Text -- a textual version of these algorithmic traces. Out of the box, CLRS-Text is capable of procedurally generating trace data for thirty diverse, challenging algorithmic tasks across any desirable input distribution, while offering a standard pipeline in which any additional algorithmic tasks may be created in the benchmark. We fine-tune and evaluate various LMs as generalist executors on this benchmark, validating prior work and revealing a novel, interesting challenge for the LM reasoning community. Our code is available at https://github.com/google-deepmind/clrs/tree/master/clrs/_src/clrs_text.

Large Language Models (LLMs) have a natural role in answering complex queries about data streams, but the high computational cost of LLM inference makes them infeasible in many such tasks. We propose online cascade learning, the first approach to address this challenge. The objective here is to learn a "cascade" of models, starting with lower-capacity models (such as logistic regression) and ending with a powerful LLM, along with a deferral policy that determines the model to be used on a given input. We formulate the task of learning cascades online as an imitation-learning problem, where smaller models are updated over time imitating the collected LLM demonstrations, and give a no-regret algorithm for the problem. Experimental results across four benchmarks show that our method parallels LLMs in accuracy while cutting down inference costs by as much as 90% with strong robustness against input distribution shifts, underscoring its efficacy and adaptability in stream processing.

Building generalizable AI models is one of the primary challenges in the healthcare domain. While radiologists rely on generalizable descriptive rules of abnormality, Neural Network (NN) models suffer even with a slight shift in input distribution (e.g., scanner type). Fine-tuning a model to transfer knowledge from one domain to another requires a significant amount of labeled data in the target domain. In this paper, we develop an interpretable model that can be efficiently fine-tuned to an unseen target domain with minimal computational cost. We assume the interpretable component of NN to be approximately domain-invariant. However, interpretable models typically underperform compared to their Blackbox (BB) variants. We start with a BB in the source domain and distill it into a mixture of shallow interpretable models using human-understandable concepts. As each interpretable model covers a subset of data, a mixture of interpretable models achieves comparable performance as BB. Further, we use the pseudo-labeling technique from semi-supervised learning (SSL) to learn the concept classifier in the target domain, followed by fine-tuning the interpretable models in the target domain. We evaluate our model using a real-life large-scale chest-X-ray (CXR) classification dataset. The code is available at: https://github.com/batmanlab/MICCAI-2023-Route-interpret-repeat-CXRs.

In this paper, we propose SimLM (Similarity matching with Language Model pre-training), a simple yet effective pre-training method for dense passage retrieval. It employs a simple bottleneck architecture that learns to compress the passage information into a dense vector through self-supervised pre-training. We use a replaced language modeling objective, which is inspired by ELECTRA, to improve the sample efficiency and reduce the mismatch of the input distribution between pre-training and fine-tuning. SimLM only requires access to unlabeled corpus, and is more broadly applicable when there are no labeled data or queries. We conduct experiments on several large-scale passage retrieval datasets, and show substantial improvements over strong baselines under various settings. Remarkably, SimLM even outperforms multi-vector approaches such as ColBERTv2 which incurs significantly more storage cost.

Despite the advancement of machine learning techniques in recent years, state-of-the-art systems lack robustness to "real world" events, where the input distributions and tasks encountered by the deployed systems will not be limited to the original training context, and systems will instead need to adapt to novel distributions and tasks while deployed. This critical gap may be addressed through the development of "Lifelong Learning" systems that are capable of 1) Continuous Learning, 2) Transfer and Adaptation, and 3) Scalability. Unfortunately, efforts to improve these capabilities are typically treated as distinct areas of research that are assessed independently, without regard to the impact of each separate capability on other aspects of the system. We instead propose a holistic approach, using a suite of metrics and an evaluation framework to assess Lifelong Learning in a principled way that is agnostic to specific domains or system techniques. Through five case studies, we show that this suite of metrics can inform the development of varied and complex Lifelong Learning systems. We highlight how the proposed suite of metrics quantifies performance trade-offs present during Lifelong Learning system development - both the widely discussed Stability-Plasticity dilemma and the newly proposed relationship between Sample Efficient and Robust Learning. Further, we make recommendations for the formulation and use of metrics to guide the continuing development of Lifelong Learning systems and assess their progress in the future.

Some classical uncertainty quantification problems require the estimation of multiple expectations. Estimating all of them accurately is crucial and can have a major impact on the analysis to perform, and standard existing Monte Carlo methods can be costly to do so. We propose here a new procedure based on importance sampling and control variates for estimating more efficiently multiple expectations with the same sample. We first show that there exists a family of optimal estimators combining both importance sampling and control variates, which however cannot be used in practice because they require the knowledge of the values of the expectations to estimate. Motivated by the form of these optimal estimators and some interesting properties, we therefore propose an adaptive algorithm. The general idea is to adaptively update the parameters of the estimators for approaching the optimal ones. We suggest then a quantitative stopping criterion that exploits the trade-off between approaching these optimal parameters and having a sufficient budget left. This left budget is then used to draw a new independent sample from the final sampling distribution, allowing to get unbiased estimators of the expectations. We show how to apply our procedure to sensitivity analysis, by estimating Sobol' indices and quantifying the impact of the input distributions. Finally, realistic test cases show the practical interest of the proposed algorithm, and its significant improvement over estimating the expectations separately.

Open-domain question answering has exploded in popularity recently due to the success of dense retrieval models, which have surpassed sparse models using only a few supervised training examples. However, in this paper, we demonstrate current dense models are not yet the holy grail of retrieval. We first construct EntityQuestions, a set of simple, entity-rich questions based on facts from Wikidata (e.g., "Where was Arve Furset born?"), and observe that dense retrievers drastically underperform sparse methods. We investigate this issue and uncover that dense retrievers can only generalize to common entities unless the question pattern is explicitly observed during training. We discuss two simple solutions towards addressing this critical problem. First, we demonstrate that data augmentation is unable to fix the generalization problem. Second, we argue a more robust passage encoder helps facilitate better question adaptation using specialized question encoders. We hope our work can shed light on the challenges in creating a robust, universal dense retriever that works well across different input distributions.

This paper presents a Bayesian nonparametric latent feature model specially suitable for exploratory analysis of high-dimensional count data. We perform a non-negative doubly sparse matrix factorization that has two main advantages: not only we are able to better approximate the row input distributions, but the inferred topics are also easier to interpret. By combining the three-parameter and restricted Indian buffet processes into a single prior, we increase the model flexibility, allowing for a full spectrum of sparse solutions in the latent space. We demonstrate the usefulness of our approach in the analysis of countries' economic structure. Compared to other approaches, empirical results show our model's ability to give easy-to-interpret information and better capture the underlying sparsity structure of data.

Recovering a 3D human mesh from a single RGB image is a challenging task due to depth ambiguity and self-occlusion, resulting in a high degree of uncertainty. Meanwhile, diffusion models have recently seen much success in generating high-quality outputs by progressively denoising noisy inputs. Inspired by their capability, we explore a diffusion-based approach for human mesh recovery, and propose a Human Mesh Diffusion (HMDiff) framework which frames mesh recovery as a reverse diffusion process. We also propose a Distribution Alignment Technique (DAT) that injects input-specific distribution information into the diffusion process, and provides useful prior knowledge to simplify the mesh recovery task. Our method achieves state-of-the-art performance on three widely used datasets. Project page: https://gongjia0208.github.io/HMDiff/.

The recent trend towards Personalized Federated Learning (PFL) has garnered significant attention as it allows for the training of models that are tailored to each client while maintaining data privacy. However, current PFL techniques primarily focus on modeling the conditional distribution heterogeneity (i.e. concept shift), which can result in suboptimal performance when the distribution of input data across clients diverges (i.e. covariate shift). Additionally, these techniques often lack the ability to adapt to unseen data, further limiting their effectiveness in real-world scenarios. To address these limitations, we propose a novel approach, FedGMM, which utilizes Gaussian mixture models (GMM) to effectively fit the input data distributions across diverse clients. The model parameters are estimated by maximum likelihood estimation utilizing a federated Expectation-Maximization algorithm, which is solved in closed form and does not assume gradient similarity. Furthermore, FedGMM possesses an additional advantage of adapting to new clients with minimal overhead, and it also enables uncertainty quantification. Empirical evaluations on synthetic and benchmark datasets demonstrate the superior performance of our method in both PFL classification and novel sample detection.

We explore a generative machine learning-based approach for estimating multi-dimensional probability density functions (PDFs) in a target sample using a statistically independent but related control sample - a common challenge in particle physics data analysis. The generative model must accurately reproduce individual observable distributions while preserving the correlations between them, based on the input multidimensional distribution from the control sample. Here we present a conditional normalizing flow model (CNF) based on a chain of bijectors which learns to transform unpaired simulation events to data events. We assess the performance of the CNF model in the context of LHC Higgs to diphoton analysis, where we use the CNF model to convert a Monte Carlo diphoton sample to one that models data. We show that the CNF model can accurately model complex data distributions and correlations. We also leverage the recently popularized Modified Differential Multiplier Method (MDMM) to improve the convergence of our model and assign physical meaning to usually arbitrary loss-function parameters.

Catastrophic forgetting remains a major challenge when adapting large language models (LLMs) to new tasks or domains. Conventional fine-tuning often overwrites existing knowledge, causing performance degradation on original tasks. We introduce Superposition in Transformers, a novel architecture that leverages autoencoders to superimpose the hidden representations of a base model and a fine-tuned model within a shared parameter space. By using B-spline-based blending coefficients and autoencoders that adaptively reconstruct hidden states based on the input data distribution, our method effectively mitigates catastrophic forgetting and enables a new paradigm of "in-model" superposition. This approach preserves original model capabilities while allowing compact domain-specific expertise to be added, and it supports dynamic switching between model states during inference.

Large language models (LMs) are able to in-context learn -- perform a new task via inference alone by conditioning on a few input-label pairs (demonstrations) and making predictions for new inputs. However, there has been little understanding of how the model learns and which aspects of the demonstrations contribute to end task performance. In this paper, we show that ground truth demonstrations are in fact not required -- randomly replacing labels in the demonstrations barely hurts performance on a range of classification and multi-choce tasks, consistently over 12 different models including GPT-3. Instead, we find that other aspects of the demonstrations are the key drivers of end task performance, including the fact that they provide a few examples of (1) the label space, (2) the distribution of the input text, and (3) the overall format of the sequence. Together, our analysis provides a new way of understanding how and why in-context learning works, while opening up new questions about how much can be learned from large language models through inference alone.

Image demosaicking and denoising are the two key fundamental steps in digital camera pipelines, aiming to reconstruct clean color images from noisy luminance readings. In this paper, we propose and study Wild-JDD, a novel learning framework for joint demosaicking and denoising in the wild. In contrast to previous works which generally assume the ground truth of training data is a perfect reflection of the reality, we consider here the more common imperfect case of ground truth uncertainty in the wild. We first illustrate its manifestation as various kinds of artifacts including zipper effect, color moire and residual noise. Then we formulate a two-stage data degradation process to capture such ground truth uncertainty, where a conjugate prior distribution is imposed upon a base distribution. After that, we derive an evidence lower bound (ELBO) loss to train a neural network that approximates the parameters of the conjugate prior distribution conditioned on the degraded input. Finally, to further enhance the performance for out-of-distribution input, we design a simple but effective fine-tuning strategy by taking the input as a weakly informative prior. Taking into account ground truth uncertainty, Wild-JDD enjoys good interpretability during optimization. Extensive experiments validate that it outperforms state-of-the-art schemes on joint demosaicking and denoising tasks on both synthetic and realistic raw datasets.

Recent advances in Tiny Machine Learning (TinyML) empower low-footprint embedded devices for real-time on-device Machine Learning. While many acknowledge the potential benefits of TinyML, its practical implementation presents unique challenges. This study aims to bridge the gap between prototyping single TinyML models and developing reliable TinyML systems in production: (1) Embedded devices operate in dynamically changing conditions. Existing TinyML solutions primarily focus on inference, with models trained offline on powerful machines and deployed as static objects. However, static models may underperform in the real world due to evolving input data distributions. We propose online learning to enable training on constrained devices, adapting local models towards the latest field conditions. (2) Nevertheless, current on-device learning methods struggle with heterogeneous deployment conditions and the scarcity of labeled data when applied across numerous devices. We introduce federated meta-learning incorporating online learning to enhance model generalization, facilitating rapid learning. This approach ensures optimal performance among distributed devices by knowledge sharing. (3) Moreover, TinyML's pivotal advantage is widespread adoption. Embedded devices and TinyML models prioritize extreme efficiency, leading to diverse characteristics ranging from memory and sensors to model architectures. Given their diversity and non-standardized representations, managing these resources becomes challenging as TinyML systems scale up. We present semantic management for the joint management of models and devices at scale. We demonstrate our methods through a basic regression example and then assess them in three real-world TinyML applications: handwritten character image classification, keyword audio classification, and smart building presence detection, confirming our approaches' effectiveness.

Traditional approaches to Named Entity Recognition (NER) frame the task into a BIO sequence labeling problem. Although these systems often excel in the downstream task at hand, they require extensive annotated data and struggle to generalize to out-of-distribution input domains and unseen entity types. On the contrary, Large Language Models (LLMs) have demonstrated strong zero-shot capabilities. While several works address Zero-Shot NER in English, little has been done in other languages. In this paper, we define an evaluation framework for Zero-Shot NER, applying it to the Italian language. Furthermore, we introduce SLIMER-IT, the Italian version of SLIMER, an instruction-tuning approach for zero-shot NER leveraging prompts enriched with definition and guidelines. Comparisons with other state-of-the-art models, demonstrate the superiority of SLIMER-IT on never-seen-before entity tags.

Modern language agents must operate over long-horizon, multi-turn interactions, where they retrieve external information, adapt to observations, and answer interdependent queries. Yet, most LLM systems rely on full-context prompting, appending all past turns regardless of their relevance. This leads to unbounded memory growth, increased computational costs, and degraded reasoning performance on out-of-distribution input lengths. We introduce MEM1, an end-to-end reinforcement learning framework that enables agents to operate with constant memory across long multi-turn tasks. At each turn, MEM1 updates a compact shared internal state that jointly supports memory consolidation and reasoning. This state integrates prior memory with new observations from the environment while strategically discarding irrelevant or redundant information. To support training in more realistic and compositional settings, we propose a simple yet effective and scalable approach to constructing multi-turn environments by composing existing datasets into arbitrarily complex task sequences. Experiments across three domains, including internal retrieval QA, open-domain web QA, and multi-turn web shopping, show that MEM1-7B improves performance by 3.5x while reducing memory usage by 3.7x compared to Qwen2.5-14B-Instruct on a 16-objective multi-hop QA task, and generalizes beyond the training horizon. Our results demonstrate the promise of reasoning-driven memory consolidation as a scalable alternative to existing solutions for training long-horizon interactive agents, where both efficiency and performance are optimized.

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

Diffusion models have shown great promise in synthesizing visually appealing images. However, it remains challenging to condition the synthesis at a fine-grained level, for instance, synthesizing image pixels following some generic color pattern. Existing image synthesis methods often produce contents that fall outside the desired pixel conditions. To address this, we introduce a novel color alignment algorithm that confines the generative process in diffusion models within a given color pattern. Specifically, we project diffusion terms, either imagery samples or latent representations, into a conditional color space to align with the input color distribution. This strategy simplifies the prediction in diffusion models within a color manifold while still allowing plausible structures in generated contents, thus enabling the generation of diverse contents that comply with the target color pattern. Experimental results demonstrate our state-of-the-art performance in conditioning and controlling of color pixels, while maintaining on-par generation quality and diversity in comparison with regular diffusion models.

Objective functions that optimize deep neural networks play a vital role in creating an enhanced feature representation of the input data. Although cross-entropy-based loss formulations have been extensively used in a variety of supervised deep-learning applications, these methods tend to be less adequate when there is large intra-class variance and low inter-class variance in input data distribution. Deep Metric Learning seeks to develop methods that aim to measure the similarity between data samples by learning a representation function that maps these data samples into a representative embedding space. It leverages carefully designed sampling strategies and loss functions that aid in optimizing the generation of a discriminative embedding space even for distributions having low inter-class and high intra-class variances. In this chapter, we will provide an overview of recent progress in this area and discuss state-of-the-art Deep Metric Learning approaches.

With the rapid advancement of post-training techniques for reasoning and information seeking, large language models (LLMs) can incorporate a large quantity of retrieved knowledge to solve complex tasks. However, the limited context window of LLMs obstructs scaling the amount of external knowledge input, prohibiting further improvement, especially for tasks requiring significant amount of external knowledge. Existing context window extension methods inevitably cause information loss. LLM-based multi-agent methods emerge as a new paradigm to handle massive input in a distributional manner, where we identify two core bottlenecks in existing knowledge synchronization and reasoning processes. In this work, we develop a multi-agent framework, ExtAgents, to overcome the bottlenecks and enable better scalability in inference-time knowledge integration without longer-context training. Benchmarked with our enhanced multi-hop question answering test, $boldsymbol{inftyBench+}, and other public test sets including long survey generation, ExtAgents significantly enhances the performance over existing non-training methods with the same amount of external knowledge input, regardless of whether it falls within or exceeds the context window$. Moreover, the method maintains high efficiency due to high parallelism. Further study in the coordination of LLM agents on increasing external knowledge input could benefit real-world applications.

Despite the remarkable advances in language modeling, current mainstream decoding methods still struggle to generate texts that align with human texts across different aspects. In particular, sampling-based methods produce less-repetitive texts which are often disjunctive in discourse, while search-based methods maintain topic coherence at the cost of increased repetition. Overall, these methods fall short in achieving holistic alignment across a broad range of aspects. In this work, we frame decoding from a language model as an optimization problem with the goal of strictly matching the expected performance with human texts measured by multiple metrics of desired aspects simultaneously. The resulting decoding distribution enjoys an analytical solution that scales the input language model distribution via a sequence-level energy function defined by these metrics. And most importantly, we prove that this induced distribution is guaranteed to improve the perplexity on human texts, which suggests a better approximation to the underlying distribution of human texts. To facilitate tractable sampling from this globally normalized distribution, we adopt the Sampling-Importance-Resampling technique. Experiments on various domains and model scales demonstrate the superiority of our method in metrics alignment with human texts and human evaluation over strong baselines.

Dense retrieval (DR) has shown promising results in information retrieval. In essence, DR requires high-quality text representations to support effective search in the representation space. Recent studies have shown that pre-trained autoencoder-based language models with a weak decoder can provide high-quality text representations, boosting the effectiveness and few-shot ability of DR models. However, even a weak autoregressive decoder has the bypass effect on the encoder. More importantly, the discriminative ability of learned representations may be limited since each token is treated equally important in decoding the input texts. To address the above problems, in this paper, we propose a contrastive pre-training approach to learn a discriminative autoencoder with a lightweight multi-layer perception (MLP) decoder. The basic idea is to generate word distributions of input text in a non-autoregressive fashion and pull the word distributions of two masked versions of one text close while pushing away from others. We theoretically show that our contrastive strategy can suppress the common words and highlight the representative words in decoding, leading to discriminative representations. Empirical results show that our method can significantly outperform the state-of-the-art autoencoder-based language models and other pre-trained models for dense retrieval.

Mixtures of Experts combine the outputs of several "expert" networks, each of which specializes in a different part of the input space. This is achieved by training a "gating" network that maps each input to a distribution over the experts. Such models show promise for building larger networks that are still cheap to compute at test time, and more parallelizable at training time. In this this work, we extend the Mixture of Experts to a stacked model, the Deep Mixture of Experts, with multiple sets of gating and experts. This exponentially increases the number of effective experts by associating each input with a combination of experts at each layer, yet maintains a modest model size. On a randomly translated version of the MNIST dataset, we find that the Deep Mixture of Experts automatically learns to develop location-dependent ("where") experts at the first layer, and class-specific ("what") experts at the second layer. In addition, we see that the different combinations are in use when the model is applied to a dataset of speech monophones. These demonstrate effective use of all expert combinations.

With the discovery of Wasserstein GANs, Optimal Transport (OT) has become a powerful tool for large-scale generative modeling tasks. In these tasks, OT cost is typically used as the loss for training GANs. In contrast to this approach, we show that the OT map itself can be used as a generative model, providing comparable performance. Previous analogous approaches consider OT maps as generative models only in the latent spaces due to their poor performance in the original high-dimensional ambient space. In contrast, we apply OT maps directly in the ambient space, e.g., a space of high-dimensional images. First, we derive a min-max optimization algorithm to efficiently compute OT maps for the quadratic cost (Wasserstein-2 distance). Next, we extend the approach to the case when the input and output distributions are located in the spaces of different dimensions and derive error bounds for the computed OT map. We evaluate the algorithm on image generation and unpaired image restoration tasks. In particular, we consider denoising, colorization, and inpainting, where the optimality of the restoration map is a desired attribute, since the output (restored) image is expected to be close to the input (degraded) one.

Multimodal large language models (MLLMs) are widely used in vision-language reasoning tasks. However, their vulnerability to adversarial prompts remains a serious concern, as safety mechanisms often fail to prevent the generation of harmful outputs. Although recent jailbreak strategies report high success rates, many responses classified as "successful" are actually benign, vague, or unrelated to the intended malicious goal. This mismatch suggests that current evaluation standards may overestimate the effectiveness of such attacks. To address this issue, we introduce a four-axis evaluation framework that considers input on-topicness, input out-of-distribution (OOD) intensity, output harmfulness, and output refusal rate. This framework identifies truly effective jailbreaks. In a substantial empirical study, we reveal a structural trade-off: highly on-topic prompts are frequently blocked by safety filters, whereas those that are too OOD often evade detection but fail to produce harmful content. However, prompts that balance relevance and novelty are more likely to evade filters and trigger dangerous output. Building on this insight, we develop a recursive rewriting strategy called Balanced Structural Decomposition (BSD). The approach restructures malicious prompts into semantically aligned sub-tasks, while introducing subtle OOD signals and visual cues that make the inputs harder to detect. BSD was tested across 13 commercial and open-source MLLMs, where it consistently led to higher attack success rates, more harmful outputs, and fewer refusals. Compared to previous methods, it improves success rates by 67% and harmfulness by 21%, revealing a previously underappreciated weakness in current multimodal safety systems.

The dominance of large decoder-only language models has overshadowed encoder-decoder architectures, despite their fundamental efficiency advantages in sequence processing. For small language models (SLMs) - those with 1 billion parameters or fewer - our systematic analysis across GPU, CPU, and NPU platforms reveals that encoder-decoder architectures achieve 47% lower first-token latency and 4.7x higher throughput compared to decoder-only models on edge devices. These gains may be attributed to encoder-decoder's one-time input processing and efficient separation of understanding and generation phases. We introduce a novel knowledge distillation framework that enables encoder-decoder models to leverage capabilities from large scalable decoder-only teachers while preserving their architectural advantages, achieving up to 6 average performance points improvement across diverse tasks, with significant gains in asymmetric sequence tasks where input and output distributions can benefit from different processing approaches. When combined with modern advances like Rotary Positional Embeddings (RoPE) and Vision encoders, our systematic investigation demonstrates that encoder-decoder architectures provide a more practical path toward deploying capable language models in resource-constrained environments. Our findings challenge the prevailing trend toward decoder-only scaling, showing that architectural choices become increasingly crucial as parameter budgets decrease, particularly for on-device and edge deployments where computational efficiency is paramount.

The work focuses on gathering high-fidelity and low-fidelity numerical simulations data using Nektar++ (Solver based on Applied Mathematics) and XFOIL respectively. The utilization of the higher polynomial distribution in calculating the Coefficient of lift and drag has demonstrated superior accuracy and precision. Further, Co-kriging Data fusion and Adaptive sampling technique has been used to obtain the precise data predictions for the lift and drag within the confined domain without conducting the costly simulations on HPC clusters. This creates a methodology to quantifying uncertainty in computational fluid dynamics by minimizing the required number of samples. To minimize the reliability on high-fidelity numerical simulations in Uncertainty Quantification, a multi-fidelity strategy has been adopted. The effectiveness of the multi-fidelity deep neural network model has been validated through the approximation of benchmark functions across 1-, 32-, and 100-dimensional, encompassing both linear and nonlinear correlations. The surrogate modelling results showed that multi-fidelity deep neural network model has shown excellent approximation capabilities for the test functions and multi-fidelity deep neural network method has outperformed Co-kriging in effectiveness. In addition to that, multi-fidelity deep neural network model is utilized for the simulation of aleatory uncertainty propagation in 1-, 32-, and 100 dimensional function test, considering both uniform and Gaussian distributions for input uncertainties. The results have shown that multi-fidelity deep neural network model has efficiently predicted the probability density distributions of quantities of interest as well as the statistical moments with precision and accuracy. The Co-Kriging model has exhibited limitations when addressing 32-Dimension problems due to the limitation of memory capacity for storage and manipulation.

Stateful optimizers maintain gradient statistics over time, e.g., the exponentially smoothed sum (SGD with momentum) or squared sum (Adam) of past gradient values. This state can be used to accelerate optimization compared to plain stochastic gradient descent but uses memory that might otherwise be allocated to model parameters, thereby limiting the maximum size of models trained in practice. In this paper, we develop the first optimizers that use 8-bit statistics while maintaining the performance levels of using 32-bit optimizer states. To overcome the resulting computational, quantization, and stability challenges, we develop block-wise dynamic quantization. Block-wise quantization divides input tensors into smaller blocks that are independently quantized. Each block is processed in parallel across cores, yielding faster optimization and high precision quantization. To maintain stability and performance, we combine block-wise quantization with two additional changes: (1) dynamic quantization, a form of non-linear optimization that is precise for both large and small magnitude values, and (2) a stable embedding layer to reduce gradient variance that comes from the highly non-uniform distribution of input tokens in language models. As a result, our 8-bit optimizers maintain 32-bit performance with a small fraction of the memory footprint on a range of tasks, including 1.5B parameter language modeling, GLUE finetuning, ImageNet classification, WMT'14 machine translation, MoCo v2 contrastive ImageNet pretraining+finetuning, and RoBERTa pretraining, without changes to the original optimizer hyperparameters. We open-source our 8-bit optimizers as a drop-in replacement that only requires a two-line code change.

Recent approaches have shown promises distilling diffusion models into efficient one-step generators. Among them, Distribution Matching Distillation (DMD) produces one-step generators that match their teacher in distribution, without enforcing a one-to-one correspondence with the sampling trajectories of their teachers. However, to ensure stable training, DMD requires an additional regression loss computed using a large set of noise-image pairs generated by the teacher with many steps of a deterministic sampler. This is costly for large-scale text-to-image synthesis and limits the student's quality, tying it too closely to the teacher's original sampling paths. We introduce DMD2, a set of techniques that lift this limitation and improve DMD training. First, we eliminate the regression loss and the need for expensive dataset construction. We show that the resulting instability is due to the fake critic not estimating the distribution of generated samples accurately and propose a two time-scale update rule as a remedy. Second, we integrate a GAN loss into the distillation procedure, discriminating between generated samples and real images. This lets us train the student model on real data, mitigating the imperfect real score estimation from the teacher model, and enhancing quality. Lastly, we modify the training procedure to enable multi-step sampling. We identify and address the training-inference input mismatch problem in this setting, by simulating inference-time generator samples during training time. Taken together, our improvements set new benchmarks in one-step image generation, with FID scores of 1.28 on ImageNet-64x64 and 8.35 on zero-shot COCO 2014, surpassing the original teacher despite a 500X reduction in inference cost. Further, we show our approach can generate megapixel images by distilling SDXL, demonstrating exceptional visual quality among few-step methods.

Out-of-distribution (OOD) detection aims to identify OOD inputs from unknown classes, which is important for the reliable deployment of machine learning models in the open world. Various scoring functions are proposed to distinguish it from in-distribution (ID) data. However, existing methods generally focus on excavating the discriminative information from a single input, which implicitly limits its representation dimension. In this work, we introduce a novel perspective, i.e., employing different common corruptions on the input space, to expand that. We reveal an interesting phenomenon termed confidence mutation, where the confidence of OOD data can decrease significantly under the corruptions, while the ID data shows a higher confidence expectation considering the resistance of semantic features. Based on that, we formalize a new scoring method, namely, Confidence aVerage (CoVer), which can capture the dynamic differences by simply averaging the scores obtained from different corrupted inputs and the original ones, making the OOD and ID distributions more separable in detection tasks. Extensive experiments and analyses have been conducted to understand and verify the effectiveness of CoVer. The code is publicly available at: https://github.com/tmlr-group/CoVer.

Sparse Mixture of Experts (sMoE) has become a pivotal approach for scaling large vision-language models, offering substantial capacity while maintaining computational efficiency through dynamic, sparse activation of experts. However, existing routing mechanisms, typically based on similarity scoring, struggle to effectively capture the underlying input structure. This limitation leads to a trade-off between expert specialization and balanced computation, hindering both scalability and performance. We propose Input Domain Aware MoE, a novel routing framework that leverages a probabilistic mixture model to better partition the input space. By modeling routing probabilities as a mixture of distributions, our method enables experts to develop clear specialization boundaries while achieving balanced utilization. Unlike conventional approaches, our routing mechanism is trained independently of task-specific objectives, allowing for stable optimization and decisive expert assignments. Empirical results on vision-language tasks demonstrate that our method consistently outperforms existing sMoE approaches, achieving higher task performance and improved expert utilization balance.

Recently, leveraging pre-trained vision-language models (VLMs) for building vision-language-action (VLA) models has emerged as a promising approach to effective robot manipulation learning. However, only few methods incorporate 3D signals into VLMs for action prediction, and they do not fully leverage the spatial structure inherent in 3D data, leading to low sample efficiency. In this paper, we introduce BridgeVLA, a novel 3D VLA model that (1) projects 3D inputs to multiple 2D images, ensuring input alignment with the VLM backbone, and (2) utilizes 2D heatmaps for action prediction, unifying the input and output spaces within a consistent 2D image space. In addition, we propose a scalable pre-training method that equips the VLM backbone with the capability to predict 2D heatmaps before downstream policy learning. Extensive experiments show the proposed method is able to learn 3D manipulation efficiently and effectively. BridgeVLA outperforms state-of-the-art baseline methods across three simulation benchmarks. In RLBench, it improves the average success rate from 81.4% to 88.2%. In COLOSSEUM, it demonstrates significantly better performance in challenging generalization settings, boosting the average success rate from 56.7% to 64.0%. In GemBench, it surpasses all the comparing baseline methods in terms of average success rate. In real-robot experiments, BridgeVLA outperforms a state-of-the-art baseline method by 32% on average. It generalizes robustly in multiple out-of-distribution settings, including visual disturbances and unseen instructions. Remarkably, it is able to achieve a success rate of 96.8% on 10+ tasks with only 3 trajectories per task, highlighting its extraordinary sample efficiency. Project Website:https://bridgevla.github.io/

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

Large language models (LLMs) such as GPT-4 sometimes appear to be creative, solving novel tasks often with a few demonstrations in the prompt. These tasks require the models to generalize on distributions different from those from training data -- which is known as out-of-distribution (OOD) generalization. Despite the tremendous success of LLMs, how they approach OOD generalization remains an open and underexplored question. We examine OOD generalization in settings where instances are generated according to hidden rules, including in-context learning with symbolic reasoning. Models are required to infer the hidden rules behind input prompts without any fine-tuning. We empirically examined the training dynamics of Transformers on a synthetic example and conducted extensive experiments on a variety of pretrained LLMs, focusing on a type of components known as induction heads. We found that OOD generalization and composition are tied together -- models can learn rules by composing two self-attention layers, thereby achieving OOD generalization. Furthermore, a shared latent subspace in the embedding (or feature) space acts as a bridge for composition by aligning early layers and later layers, which we refer to as the common bridge representation hypothesis.

There is an increasingly apparent need for validating the classifications made by deep learning systems in safety-critical applications like autonomous vehicle systems. A number of recent papers have proposed methods for detecting anomalous image data that appear different from known inlier data samples, including reconstruction-based autoencoders. Autoencoders optimize the compression of input data to a latent space of a dimensionality smaller than the original input and attempt to accurately reconstruct the input using that compressed representation. Since the latent vector is optimized to capture the salient features from the inlier class only, it is commonly assumed that images of objects from outside of the training class cannot effectively be compressed and reconstructed. Some thus consider reconstruction error as a kind of novelty measure. Here we suggest that reconstruction-based approaches fail to capture particular anomalies that lie far from known inlier samples in latent space but near the latent dimension manifold defined by the parameters of the model. We propose incorporating the Mahalanobis distance in latent space to better capture these out-of-distribution samples and our results show that this method often improves performance over the baseline approach.

Large Language Models (LLMs) can comply with harmful instructions, raising serious safety concerns despite their impressive capabilities. Recent work has leveraged probing-based approaches to study the separability of malicious and benign inputs in LLMs' internal representations, and researchers have proposed using such probing methods for safety detection. We systematically re-examine this paradigm. Motivated by poor out-of-distribution performance, we hypothesize that probes learn superficial patterns rather than semantic harmfulness. Through controlled experiments, we confirm this hypothesis and identify the specific patterns learned: instructional patterns and trigger words. Our investigation follows a systematic approach, progressing from demonstrating comparable performance of simple n-gram methods, to controlled experiments with semantically cleaned datasets, to detailed analysis of pattern dependencies. These results reveal a false sense of security around current probing-based approaches and highlight the need to redesign both models and evaluation protocols, for which we provide further discussions in the hope of suggesting responsible further research in this direction. We have open-sourced the project at https://github.com/WangCheng0116/Why-Probe-Fails.

Computationally intensive decoding procedures--including search, reranking, and self-critique--can improve the quality of language model (LM) outputs in problems spanning code generation, numerical reasoning, and dialog. Existing work typically applies the same decoding procedure for every input to an LM. But not all inputs require the same amount of computation to process. Can we allocate decoding computation adaptively, using more resources to answer questions whose answers will be harder to compute? We present an approach that predicts the distribution of rewards given an input and computation budget, then allocates additional computation to inputs for which it is predicted to be most useful. We apply this approach in two decoding procedures: first, an adaptive best-of-k procedure that dynamically selects the number of samples to generate as input to a reranker; second, a routing procedure that dynamically responds to a query using a decoding procedure that is expensive but accurate, or one that is cheaper but less capable. Across a suite of programming, mathematics, and dialog tasks, we show that accurate computation-allocation procedures can be learned, and reduce computation by up to 50% at no cost to response quality, or improve quality by up to 10% at a fixed computational budget.

In this work, we propose Reciprocal Distribution Alignment (RDA) to address semi-supervised learning (SSL), which is a hyperparameter-free framework that is independent of confidence threshold and works with both the matched (conventionally) and the mismatched class distributions. Distribution mismatch is an often overlooked but more general SSL scenario where the labeled and the unlabeled data do not fall into the identical class distribution. This may lead to the model not exploiting the labeled data reliably and drastically degrade the performance of SSL methods, which could not be rescued by the traditional distribution alignment. In RDA, we enforce a reciprocal alignment on the distributions of the predictions from two classifiers predicting pseudo-labels and complementary labels on the unlabeled data. These two distributions, carrying complementary information, could be utilized to regularize each other without any prior of class distribution. Moreover, we theoretically show that RDA maximizes the input-output mutual information. Our approach achieves promising performance in SSL under a variety of scenarios of mismatched distributions, as well as the conventional matched SSL setting. Our code is available at: https://github.com/NJUyued/RDA4RobustSSL.

We present prompt distribution learning for effectively adapting a pre-trained vision-language model to address downstream recognition tasks. Our method not only learns low-bias prompts from a few samples but also captures the distribution of diverse prompts to handle the varying visual representations. In this way, we provide high-quality task-related content for facilitating recognition. This prompt distribution learning is realized by an efficient approach that learns the output embeddings of prompts instead of the input embeddings. Thus, we can employ a Gaussian distribution to model them effectively and derive a surrogate loss for efficient training. Extensive experiments on 12 datasets demonstrate that our method consistently and significantly outperforms existing methods. For example, with 1 sample per category, it relatively improves the average result by 9.1% compared to human-crafted prompts.

To demystify the "black box" property of deep neural networks for natural language processing (NLP), several methods have been proposed to interpret their predictions by measuring the change in prediction probability after erasing each token of an input. Since existing methods replace each token with a predefined value (i.e., zero), the resulting sentence lies out of the training data distribution, yielding misleading interpretations. In this study, we raise the out-of-distribution problem induced by the existing interpretation methods and present a remedy; we propose to marginalize each token out. We interpret various NLP models trained for sentiment analysis and natural language inference using the proposed method.

Quantum algorithms are usually described as monolithic circuits, becoming large at modest input size. Near-term quantum architectures can only manage a small number of qubits. We develop an automated method to distribute quantum circuits over multiple agents, minimising quantum communication between them. We reduce the problem to hypergraph partitioning and then solve it with state-of-the-art optimisers. This makes our approach useful in practice, unlike previous methods. Our implementation is evaluated on five quantum circuits of practical relevance.

This paper proposes a unified diffusion framework (dubbed UniDiffuser) to fit all distributions relevant to a set of multi-modal data in one model. Our key insight is -- learning diffusion models for marginal, conditional, and joint distributions can be unified as predicting the noise in the perturbed data, where the perturbation levels (i.e. timesteps) can be different for different modalities. Inspired by the unified view, UniDiffuser learns all distributions simultaneously with a minimal modification to the original diffusion model -- perturbs data in all modalities instead of a single modality, inputs individual timesteps in different modalities, and predicts the noise of all modalities instead of a single modality. UniDiffuser is parameterized by a transformer for diffusion models to handle input types of different modalities. Implemented on large-scale paired image-text data, UniDiffuser is able to perform image, text, text-to-image, image-to-text, and image-text pair generation by setting proper timesteps without additional overhead. In particular, UniDiffuser is able to produce perceptually realistic samples in all tasks and its quantitative results (e.g., the FID and CLIP score) are not only superior to existing general-purpose models but also comparable to the bespoken models (e.g., Stable Diffusion and DALL-E 2) in representative tasks (e.g., text-to-image generation).

Given a classifier, the inherent property of semantic Out-of-Distribution (OOD) samples is that their contents differ from all legal classes in terms of semantics, namely semantic mismatch. There is a recent work that directly applies it to OOD detection, which employs a conditional Generative Adversarial Network (cGAN) to enlarge semantic mismatch in the image space. While achieving remarkable OOD detection performance on small datasets, it is not applicable to ImageNet-scale datasets due to the difficulty in training cGANs with both input images and labels as conditions. As diffusion models are much easier to train and amenable to various conditions compared to cGANs, in this work, we propose to directly use pre-trained diffusion models for semantic mismatch-guided OOD detection, named DiffGuard. Specifically, given an OOD input image and the predicted label from the classifier, we try to enlarge the semantic difference between the reconstructed OOD image under these conditions and the original input image. We also present several test-time techniques to further strengthen such differences. Experimental results show that DiffGuard is effective on both Cifar-10 and hard cases of the large-scale ImageNet, and it can be easily combined with existing OOD detection techniques to achieve state-of-the-art OOD detection results.

Most of the existing Out-Of-Distribution (OOD) detection algorithms depend on single input source: the feature, the logit, or the softmax probability. However, the immense diversity of the OOD examples makes such methods fragile. There are OOD samples that are easy to identify in the feature space while hard to distinguish in the logit space and vice versa. Motivated by this observation, we propose a novel OOD scoring method named Virtual-logit Matching (ViM), which combines the class-agnostic score from feature space and the In-Distribution (ID) class-dependent logits. Specifically, an additional logit representing the virtual OOD class is generated from the residual of the feature against the principal space, and then matched with the original logits by a constant scaling. The probability of this virtual logit after softmax is the indicator of OOD-ness. To facilitate the evaluation of large-scale OOD detection in academia, we create a new OOD dataset for ImageNet-1K, which is human-annotated and is 8.8x the size of existing datasets. We conducted extensive experiments, including CNNs and vision transformers, to demonstrate the effectiveness of the proposed ViM score. In particular, using the BiT-S model, our method gets an average AUROC 90.91% on four difficult OOD benchmarks, which is 4% ahead of the best baseline. Code and dataset are available at https://github.com/haoqiwang/vim.

We present Neural Autoregressive Distribution Estimation (NADE) models, which are neural network architectures applied to the problem of unsupervised distribution and density estimation. They leverage the probability product rule and a weight sharing scheme inspired from restricted Boltzmann machines, to yield an estimator that is both tractable and has good generalization performance. We discuss how they achieve competitive performance in modeling both binary and real-valued observations. We also present how deep NADE models can be trained to be agnostic to the ordering of input dimensions used by the autoregressive product rule decomposition. Finally, we also show how to exploit the topological structure of pixels in images using a deep convolutional architecture for NADE.

Deep neural networks are susceptible to generating overconfident yet erroneous predictions when presented with data beyond known concepts. This challenge underscores the importance of detecting out-of-distribution (OOD) samples in the open world. In this work, we propose a novel feature-space OOD detection score based on class-specific and class-agnostic information. Specifically, the approach utilizes Whitened Linear Discriminant Analysis to project features into two subspaces - the discriminative and residual subspaces - for which the in-distribution (ID) classes are maximally separated and closely clustered, respectively. The OOD score is then determined by combining the deviation from the input data to the ID pattern in both subspaces. The efficacy of our method, named WDiscOOD, is verified on the large-scale ImageNet-1k benchmark, with six OOD datasets that cover a variety of distribution shifts. WDiscOOD demonstrates superior performance on deep classifiers with diverse backbone architectures, including CNN and vision transformer. Furthermore, we also show that WDiscOOD more effectively detects novel concepts in representation spaces trained with contrastive objectives, including supervised contrastive loss and multi-modality contrastive loss.

While previous distribution shift detection approaches can identify if a shift has occurred, these approaches cannot localize which specific features have caused a distribution shift -- a critical step in diagnosing or fixing any underlying issue. For example, in military sensor networks, users will want to detect when one or more of the sensors has been compromised, and critically, they will want to know which specific sensors might be compromised. Thus, we first define a formalization of this problem as multiple conditional distribution hypothesis tests and propose both non-parametric and parametric statistical tests. For both efficiency and flexibility, we then propose to use a test statistic based on the density model score function (i.e. gradient with respect to the input) -- which can easily compute test statistics for all dimensions in a single forward and backward pass. Any density model could be used for computing the necessary statistics including deep density models such as normalizing flows or autoregressive models. We additionally develop methods for identifying when and where a shift occurs in multivariate time-series data and show results for multiple scenarios using realistic attack models on both simulated and real world data.

Systematic, compositional generalization beyond the training distribution remains a core challenge in machine learning -- and a critical bottleneck for the emergent reasoning abilities of modern language models. This work investigates out-of-distribution (OOD) generalization in Transformer networks using a GSM8K-style modular arithmetic on computational graphs task as a testbed. We introduce and explore a set of four architectural mechanisms aimed at enhancing OOD generalization: (i) input-adaptive recurrence; (ii) algorithmic supervision; (iii) anchored latent representations via a discrete bottleneck; and (iv) an explicit error-correction mechanism. Collectively, these mechanisms yield an architectural approach for native and scalable latent space reasoning in Transformer networks with robust algorithmic generalization capabilities. We complement these empirical results with a detailed mechanistic interpretability analysis that reveals how these mechanisms give rise to robust OOD generalization abilities.

A key property of reasoning systems is the ability to make sharp decisions on their input data. For contemporary AI systems, a key carrier of sharp behaviour is the softmax function, with its capability to perform differentiable query-key lookups. It is a common belief that the predictive power of networks leveraging softmax arises from "circuits" which sharply perform certain kinds of computations consistently across many diverse inputs. However, for these circuits to be robust, they would need to generalise well to arbitrary valid inputs. In this paper, we dispel this myth: even for tasks as simple as finding the maximum key, any learned circuitry must disperse as the number of items grows at test time. We attribute this to a fundamental limitation of the softmax function to robustly approximate sharp functions, prove this phenomenon theoretically, and propose adaptive temperature as an ad-hoc technique for improving the sharpness of softmax at inference time.

Pre-trained vision-language models (VLMs) have shown impressive performance on various downstream tasks by utilizing knowledge learned from large data. In general, the performance of VLMs on target tasks can be further improved by prompt tuning, which adds context to the input image or text. By leveraging data from target tasks, various prompt-tuning methods have been studied in the literature. A key to prompt tuning is the feature space alignment between two modalities via learnable vectors with model parameters fixed. We observed that the alignment becomes more effective when embeddings of each modality are `well-arranged' in the latent space. Inspired by this observation, we proposed distribution-aware prompt tuning (DAPT) for vision-language models, which is simple yet effective. Specifically, the prompts are learned by maximizing inter-dispersion, the distance between classes, as well as minimizing the intra-dispersion measured by the distance between embeddings from the same class. Our extensive experiments on 11 benchmark datasets demonstrate that our method significantly improves generalizability. The code is available at https://github.com/mlvlab/DAPT.

A non-invasive brain-computer interface (BCI) enables direct interaction between the user and external devices, typically via electroencephalogram (EEG) signals. However, decoding EEG signals across different headsets remains a significant challenge due to differences in the number and locations of the electrodes. To address this challenge, we propose a spatial distillation based distribution alignment (SDDA) approach for heterogeneous cross-headset transfer in non-invasive BCIs. SDDA uses first spatial distillation to make use of the full set of electrodes, and then input/feature/output space distribution alignments to cope with the significant differences between the source and target domains. To our knowledge, this is the first work to use knowledge distillation in cross-headset transfers. Extensive experiments on six EEG datasets from two BCI paradigms demonstrated that SDDA achieved superior performance in both offline unsupervised domain adaptation and online supervised domain adaptation scenarios, consistently outperforming 10 classical and state-of-the-art transfer learning algorithms.

Large language models (LLMs) present novel opportunities in public opinion research by predicting survey responses in advance during the early stages of survey design. Prior methods steer LLMs via descriptions of subpopulations as LLMs' input prompt, yet such prompt engineering approaches have struggled to faithfully predict the distribution of survey responses from human subjects. In this work, we propose directly fine-tuning LLMs to predict response distributions by leveraging unique structural characteristics of survey data. To enable fine-tuning, we curate SubPOP, a significantly scaled dataset of 3,362 questions and 70K subpopulation-response pairs from well-established public opinion surveys. We show that fine-tuning on SubPOP greatly improves the match between LLM predictions and human responses across various subpopulations, reducing the LLM-human gap by up to 46% compared to baselines, and achieves strong generalization to unseen surveys and subpopulations. Our findings highlight the potential of survey-based fine-tuning to improve opinion prediction for diverse, real-world subpopulations and therefore enable more efficient survey designs. Our code is available at https://github.com/JosephJeesungSuh/subpop.

Self-supervised learning, which learns by constructing artificial labels given only the input signals, has recently gained considerable attention for learning representations with unlabeled datasets, i.e., learning without any human-annotated supervision. In this paper, we show that such a technique can be used to significantly improve the model accuracy even under fully-labeled datasets. Our scheme trains the model to learn both original and self-supervised tasks, but is different from conventional multi-task learning frameworks that optimize the summation of their corresponding losses. Our main idea is to learn a single unified task with respect to the joint distribution of the original and self-supervised labels, i.e., we augment original labels via self-supervision of input transformation. This simple, yet effective approach allows to train models easier by relaxing a certain invariant constraint during learning the original and self-supervised tasks simultaneously. It also enables an aggregated inference which combines the predictions from different augmentations to improve the prediction accuracy. Furthermore, we propose a novel knowledge transfer technique, which we refer to as self-distillation, that has the effect of the aggregated inference in a single (faster) inference. We demonstrate the large accuracy improvement and wide applicability of our framework on various fully-supervised settings, e.g., the few-shot and imbalanced classification scenarios.

We consider the problem of detecting out-of-distribution images in neural networks. We propose ODIN, a simple and effective method that does not require any change to a pre-trained neural network. Our method is based on the observation that using temperature scaling and adding small perturbations to the input can separate the softmax score distributions between in- and out-of-distribution images, allowing for more effective detection. We show in a series of experiments that ODIN is compatible with diverse network architectures and datasets. It consistently outperforms the baseline approach by a large margin, establishing a new state-of-the-art performance on this task. For example, ODIN reduces the false positive rate from the baseline 34.7% to 4.3% on the DenseNet (applied to CIFAR-10) when the true positive rate is 95%.

The ability to remove features from the input of machine learning models is very important to understand and interpret model predictions. However, this is non-trivial for vision models since masking out parts of the input image typically causes large distribution shifts. This is because the baseline color used for masking (typically grey or black) is out of distribution. Furthermore, the shape of the mask itself can contain unwanted signals which can be used by the model for its predictions. Recently, there has been some progress in mitigating this issue (called missingness bias) in image masking for vision transformers. In this work, we propose a new masking method for CNNs we call layer masking in which the missingness bias caused by masking is reduced to a large extent. Intuitively, layer masking applies a mask to intermediate activation maps so that the model only processes the unmasked input. We show that our method (i) is able to eliminate or minimize the influence of the mask shape or color on the output of the model, and (ii) is much better than replacing the masked region by black or grey for input perturbation based interpretability techniques like LIME. Thus, layer masking is much less affected by missingness bias than other masking strategies. We also demonstrate how the shape of the mask may leak information about the class, thus affecting estimates of model reliance on class-relevant features derived from input masking. Furthermore, we discuss the role of data augmentation techniques for tackling this problem, and argue that they are not sufficient for preventing model reliance on mask shape. The code for this project is publicly available at https://github.com/SriramB-98/layer_masking

Max sliced Wasserstein (Max-SW) distance has been widely known as a solution for less discriminative projections of sliced Wasserstein (SW) distance. In applications that have various independent pairs of probability measures, amortized projection optimization is utilized to predict the ``max" projecting directions given two input measures instead of using projected gradient ascent multiple times. Despite being efficient, Max-SW and its amortized version cannot guarantee metricity property due to the sub-optimality of the projected gradient ascent and the amortization gap. Therefore, we propose to replace Max-SW with distributional sliced Wasserstein distance with von Mises-Fisher (vMF) projecting distribution (v-DSW). Since v-DSW is a metric with any non-degenerate vMF distribution, its amortized version can guarantee the metricity when performing amortization. Furthermore, current amortized models are not permutation invariant and symmetric. To address the issue, we design amortized models based on self-attention architecture. In particular, we adopt efficient self-attention architectures to make the computation linear in the number of supports. With the two improvements, we derive self-attention amortized distributional projection optimization and show its appealing performance in point-cloud reconstruction and its downstream applications.

We design a new technique for the distributional semantic modeling with a neural network-based approach to learn distributed term representations (or term embeddings) - term vector space models as a result, inspired by the recent ontology-related approach (using different types of contextual knowledge such as syntactic knowledge, terminological knowledge, semantic knowledge, etc.) to the identification of terms (term extraction) and relations between them (relation extraction) called semantic pre-processing technology - SPT. Our method relies on automatic term extraction from the natural language texts and subsequent formation of the problem-oriented or application-oriented (also deeply annotated) text corpora where the fundamental entity is the term (includes non-compositional and compositional terms). This gives us an opportunity to changeover from distributed word representations (or word embeddings) to distributed term representations (or term embeddings). This transition will allow to generate more accurate semantic maps of different subject domains (also, of relations between input terms - it is useful to explore clusters and oppositions, or to test your hypotheses about them). The semantic map can be represented as a graph using Vec2graph - a Python library for visualizing word embeddings (term embeddings in our case) as dynamic and interactive graphs. The Vec2graph library coupled with term embeddings will not only improve accuracy in solving standard NLP tasks, but also update the conventional concept of automated ontology development. The main practical result of our work is the development kit (set of toolkits represented as web service APIs and web application), which provides all necessary routines for the basic linguistic pre-processing and the semantic pre-processing of the natural language texts in Ukrainian for future training of term vector space models.

In-context learning, a capability that enables a model to learn from input examples on the fly without necessitating weight updates, is a defining characteristic of large language models. In this work, we follow the setting proposed in (Garg et al., 2022) to better understand the generality and limitations of in-context learning from the lens of the simple yet fundamental task of linear regression. The key question we aim to address is: Are transformers more adept than some natural and simpler architectures at performing in-context learning under varying distribution shifts? To compare transformers, we propose to use a simple architecture based on set-based Multi-Layer Perceptrons (MLPs). We find that both transformers and set-based MLPs exhibit in-context learning under in-distribution evaluations, but transformers more closely emulate the performance of ordinary least squares (OLS). Transformers also display better resilience to mild distribution shifts, where set-based MLPs falter. However, under severe distribution shifts, both models' in-context learning abilities diminish.

Although contrastive and other representation-learning methods have long been explored in vision and NLP, their adoption in modern time series forecasters remains limited. We believe they hold strong promise for this domain. To unlock this potential, we explicitly align past and future representations, thereby bridging the distributional gap between input histories and future targets. To this end, we introduce TimeAlign, a lightweight, plug-and-play framework that establishes a new representation paradigm, distinct from contrastive learning, by aligning auxiliary features via a simple reconstruction task and feeding them back into any base forecaster. Extensive experiments across eight benchmarks verify its superior performance. Further studies indicate that the gains arise primarily from correcting frequency mismatches between historical inputs and future outputs. Additionally, we provide two theoretical justifications for how reconstruction improves forecasting generalization and how alignment increases the mutual information between learned representations and predicted targets. The code is available at https://github.com/TROUBADOUR000/TimeAlign.

Fine-tuning large language models (LLMs) improves performance on domain-specific tasks but can lead to overfitting, making them unreliable on out-of-distribution (OoD) queries. We propose LoRA-BAM - a method that adds OoD detection monitors to the LoRA layer using boxed abstraction to filter questions beyond the model's competence. Feature vectors from the fine-tuning data are extracted via the LLM and clustered. Clusters are enclosed in boxes; a question is flagged as OoD if its feature vector falls outside all boxes. To improve interpretability and robustness, we introduce a regularization loss during fine-tuning that encourages paraphrased questions to stay close in the feature space, and the enlargement of the decision boundary is based on the feature variance within a cluster. Our method complements existing defenses by providing lightweight and interpretable OoD detection.

Multimodal large language models (MLLMs) have shown promising capabilities but struggle under distribution shifts, where evaluation data differ from instruction tuning distributions. Although previous works have provided empirical evaluations, we argue that establishing a formal framework that can characterize and quantify the risk of MLLMs is necessary to ensure the safe and reliable application of MLLMs in the real world. By taking an information-theoretic perspective, we propose the first theoretical framework that enables the quantification of the maximum risk of MLLMs under distribution shifts. Central to our framework is the introduction of Effective Mutual Information (EMI), a principled metric that quantifies the relevance between input queries and model responses. We derive an upper bound for the EMI difference between in-distribution (ID) and out-of-distribution (OOD) data, connecting it to visual and textual distributional discrepancies. Extensive experiments on real benchmark datasets, spanning 61 shift scenarios empirically validate our theoretical insights.

In recent years, large-scale pre-trained diffusion models have demonstrated their outstanding capabilities in image and video generation tasks. However, existing models tend to produce visual objects commonly found in the training dataset, which diverges from user input prompts. The underlying reason behind the inaccurate generated results lies in the model's difficulty in sampling from specific intervals of the initial noise distribution corresponding to the prompt. Moreover, it is challenging to directly optimize the initial distribution, given that the diffusion process involves multiple denoising steps. In this paper, we introduce a Fine-tuning Initial Noise Distribution (FIND) framework with policy optimization, which unleashes the powerful potential of pre-trained diffusion networks by directly optimizing the initial distribution to align the generated contents with user-input prompts. To this end, we first reformulate the diffusion denoising procedure as a one-step Markov decision process and employ policy optimization to directly optimize the initial distribution. In addition, a dynamic reward calibration module is proposed to ensure training stability during optimization. Furthermore, we introduce a ratio clipping algorithm to utilize historical data for network training and prevent the optimized distribution from deviating too far from the original policy to restrain excessive optimization magnitudes. Extensive experiments demonstrate the effectiveness of our method in both text-to-image and text-to-video tasks, surpassing SOTA methods in achieving consistency between prompts and the generated content. Our method achieves 10 times faster than the SOTA approach. Our homepage is available at https://github.com/vpx-ecnu/FIND-website.

Out-of-distribution (OOD) generalization is a favorable yet challenging property for deep neural networks. The core challenges lie in the limited availability of source domains that help models learn an invariant representation from the spurious features. Various domain augmentation have been proposed but largely rely on interpolating existing domains and frequently face difficulties in creating truly "novel" domains. Humans, on the other hand, can easily extrapolate novel domains, thus, an intriguing question arises: How can neural networks extrapolate like humans and achieve OOD generalization? We introduce a novel approach to domain extrapolation that leverages reasoning ability and the extensive knowledge encapsulated within large language models (LLMs) to synthesize entirely new domains. Starting with the class of interest, we query the LLMs to extract relevant knowledge for these novel domains. We then bridge the gap between the text-centric knowledge derived from LLMs and the pixel input space of the model using text-to-image generation techniques. By augmenting the training set of domain generalization datasets with high-fidelity, photo-realistic images of these new domains, we achieve significant improvements over all existing methods, as demonstrated in both single and multi-domain generalization across various benchmarks. With the ability to extrapolate any domains for any class, our method has the potential to learn a generalized model for any task without any data. To illustrate, we put forth a much more difficult setting termed, data-free domain generalization, that aims to learn a generalized model in the absence of any collected data. Our empirical findings support the above argument and our methods exhibit commendable performance in this setting, even surpassing the supervised setting by approximately 1-2\% on datasets such as VLCS.

Near out-of-distribution detection (OODD) aims at discriminating semantically similar data points without the supervision required for classification. This paper puts forward an OODD use case for radar targets detection extensible to other kinds of sensors and detection scenarios. We emphasize the relevance of OODD and its specific supervision requirements for the detection of a multimodal, diverse targets class among other similar radar targets and clutter in real-life critical systems. We propose a comparison of deep and non-deep OODD methods on simulated low-resolution pulse radar micro-Doppler signatures, considering both a spectral and a covariance matrix input representation. The covariance representation aims at estimating whether dedicated second-order processing is appropriate to discriminate signatures. The potential contributions of labeled anomalies in training, self-supervised learning, contrastive learning insights and innovative training losses are discussed, and the impact of training set contamination caused by mislabelling is investigated.

We present a new methodology for detecting out-of-distribution (OOD) images by utilizing norms of the score estimates at multiple noise scales. A score is defined to be the gradient of the log density with respect to the input data. Our methodology is completely unsupervised and follows a straight forward training scheme. First, we train a deep network to estimate scores for levels of noise. Once trained, we calculate the noisy score estimates for N in-distribution samples and take the L2-norms across the input dimensions (resulting in an NxL matrix). Then we train an auxiliary model (such as a Gaussian Mixture Model) to learn the in-distribution spatial regions in this L-dimensional space. This auxiliary model can now be used to identify points that reside outside the learned space. Despite its simplicity, our experiments show that this methodology significantly outperforms the state-of-the-art in detecting out-of-distribution images. For example, our method can effectively separate CIFAR-10 (inlier) and SVHN (OOD) images, a setting which has been previously shown to be difficult for deep likelihood models.

Perturbation-based explanation methods often measure the contribution of an input feature to an image classifier's outputs by heuristically removing it via e.g. blurring, adding noise, or graying out, which often produce unrealistic, out-of-samples. Instead, we propose to integrate a generative inpainter into three representative attribution methods to remove an input feature. Our proposed change improved all three methods in (1) generating more plausible counterfactual samples under the true data distribution; (2) being more accurate according to three metrics: object localization, deletion, and saliency metrics; and (3) being more robust to hyperparameter changes. Our findings were consistent across both ImageNet and Places365 datasets and two different pairs of classifiers and inpainters.

This paper studies the black-box optimization task which aims to find the maxima of a black-box function using a static set of its observed input-output pairs. This is often achieved via learning and optimizing a surrogate function with that offline data. Alternatively, it can also be framed as an inverse modeling task that maps a desired performance to potential input candidates that achieve it. Both approaches are constrained by the limited amount of offline data. To mitigate this limitation, we introduce a new perspective that casts offline optimization as a distributional translation task. This is formulated as learning a probabilistic bridge transforming an implicit distribution of low-value inputs (i.e., offline data) into another distribution of high-value inputs (i.e., solution candidates). Such probabilistic bridge can be learned using low- and high-value inputs sampled from synthetic functions that resemble the target function. These synthetic functions are constructed as the mean posterior of multiple Gaussian processes fitted with different parameterizations on the offline data, alleviating the data bottleneck. The proposed approach is evaluated on an extensive benchmark comprising most recent methods, demonstrating significant improvement and establishing a new state-of-the-art performance. Our code is publicly available at https://github.com/cuong-dm/ROOT.

Beyond the superiority of the text-to-image diffusion model in generating high-quality images, recent studies have attempted to uncover its potential for adapting the learned semantic knowledge to visual perception tasks. In this work, instead of translating a generative diffusion model into a visual perception model, we explore to retain the generative ability with the perceptive adaptation. To accomplish this, we present Zippo, a unified framework for zipping the color and transparency distributions into a single diffusion model by expanding the diffusion latent into a joint representation of RGB images and alpha mattes. By alternatively selecting one modality as the condition and then applying the diffusion process to the counterpart modality, Zippo is capable of generating RGB images from alpha mattes and predicting transparency from input images. In addition to single-modality prediction, we propose a modality-aware noise reassignment strategy to further empower Zippo with jointly generating RGB images and its corresponding alpha mattes under the text guidance. Our experiments showcase Zippo's ability of efficient text-conditioned transparent image generation and present plausible results of Matte-to-RGB and RGB-to-Matte translation.

When deploying machine learning systems to the wild, it is highly desirable for them to effectively leverage prior knowledge to the unfamiliar domain while also firing alarms to anomalous inputs. In order to address these requirements, Universal Domain Adaptation (UniDA) has emerged as a novel research area in computer vision, focusing on achieving both adaptation ability and robustness (i.e., the ability to detect out-of-distribution samples). While UniDA has led significant progress in computer vision, its application on language input still needs to be explored despite its feasibility. In this paper, we propose a comprehensive benchmark for natural language that offers thorough viewpoints of the model's generalizability and robustness. Our benchmark encompasses multiple datasets with varying difficulty levels and characteristics, including temporal shifts and diverse domains. On top of our testbed, we validate existing UniDA methods from computer vision and state-of-the-art domain adaptation techniques from NLP literature, yielding valuable findings: We observe that UniDA methods originally designed for image input can be effectively transferred to the natural language domain while also underscoring the effect of adaptation difficulty in determining the model's performance.

While Key-Value (KV) cache succeeds in reducing redundant computations in auto-regressive models, it introduces significant memory overhead, limiting its practical deployment in long-sequence scenarios. Existing KV retrieval methods mitigate this by dynamically retaining only a subset of KV entries on the GPU. However, they still suffer from notable efficiency and accuracy bottlenecks due to per-token retrieval and coarse-grained page-level KV management, especially in long-output reasoning scenarios. With the emergence of large reasoning models, efficiently handling such scenarios has become increasingly important. To address this issue, we present two key observations: (1) critical KVs exhibit strong temporal locality during decoding, and (2) these KVs exhibit distinct distribution patterns across the input prompt and generated output. Building on these observations, we propose LouisKV, an efficient KV cache retrieval framework designed for various long-sequence scenarios. Specifically, LouisKV introduces a semantic-aware retrieval strategy leveraging temporal locality to trigger retrieval only at semantic boundaries, drastically reducing computation and data transfer overhead. LouisKV also designs a decoupled, fine-grained management scheme that tailors differentiated strategies for input and output sequences to create retrieval units that better match the model's attention patterns, enabling precise identification of critical KVs. Furthermore, to boost efficiency, LouisKV incorporates several kernel-level optimizations, including custom Triton and CUDA kernels to accelerate the KV clustering and retrieval. Evaluations show that LouisKV achieves up to 4.7times speedup over state-of-the-art KV retrieval methods while maintaining near-lossless accuracy across diverse long-sequence tasks, including long-input short-output, short-input long-output, and long-input long-output scenarios.

As large language models (LLMs) become integrated into everyday applications, ensuring their robustness and security is increasingly critical. In particular, LLMs can be manipulated into unsafe behaviour by prompts known as jailbreaks. The variety of jailbreak styles is growing, necessitating the use of external defences known as guardrails. While many jailbreak defences have been proposed, not all defences are able to handle new out-of-distribution attacks due to the narrow segment of jailbreaks used to align them. Moreover, the lack of systematisation around defences has created significant gaps in their practical application. In this work, we perform systematic benchmarking across 15 different defences, considering a broad swathe of malicious and benign datasets. We find that there is significant performance variation depending on the style of jailbreak a defence is subject to. Additionally, we show that based on current datasets available for evaluation, simple baselines can display competitive out-of-distribution performance compared to many state-of-the-art defences. Code is available at https://github.com/IBM/Adversarial-Prompt-Evaluation.

Generative models trained on extensive high-quality datasets effectively capture the structural and statistical properties of clean images, rendering them powerful priors for transforming degraded features into clean ones in image restoration. VAR, a novel image generative paradigm, surpasses diffusion models in generation quality by applying a next-scale prediction approach. It progressively captures both global structures and fine-grained details through the autoregressive process, consistent with the multi-scale restoration principle widely acknowledged in the restoration community. Furthermore, we observe that during the image reconstruction process utilizing VAR, scale predictions automatically modulate the input, facilitating the alignment of representations at subsequent scales with the distribution of clean images. To harness VAR's adaptive distribution alignment capability in image restoration tasks, we formulate the multi-scale latent representations within VAR as the restoration prior, thus advancing our delicately designed VarFormer framework. The strategic application of these priors enables our VarFormer to achieve remarkable generalization on unseen tasks while also reducing training computational costs. Extensive experiments underscores that our VarFormer outperforms existing multi-task image restoration methods across various restoration tasks.

Recently, multimodal large language models (MM-LLMs) have achieved significant success in various tasks, but their high computational costs limit widespread application. The main computational burden arises from processing concatenated text and visual tokens in the LLM layer, where input token length directly affects efficiency. Our analysis of visual tokens reveals that their similarity to the CLS token follows a long-tail distribution, with only a few showing high similarity. To address this, we propose a dynamic pruning algorithm that identifies the inflection point in the visual CLS token similarity curve, enabling effective trimming of visual markers to accelerate model performance. Additionally, we perform a second round of pruning in the LLM layer, filtering out low-correlation tokens through the interaction between visual and textual features. Experimental results demonstrate that our method achieves performance comparable to the original while utilizing only 22% of the original token quantity. Our source code will be made publicly available upon acceptance.

Geographical, physical, or economic constraints often result in missing traces within seismic data, making the reconstruction of complete seismic data a crucial step in seismic data processing. Traditional methods for seismic data reconstruction require the selection of multiple empirical parameters and struggle to handle large-scale continuous missing data. With the development of deep learning, various neural networks have demonstrated powerful reconstruction capabilities. However, these convolutional neural networks represent a point-to-point reconstruction approach that may not cover the entire distribution of the dataset. Consequently, when dealing with seismic data featuring complex missing patterns, such networks may experience varying degrees of performance degradation. In response to this challenge, we propose a novel diffusion model reconstruction framework tailored for 3D seismic data. To constrain the results generated by the diffusion model, we introduce conditional supervision constraints into the diffusion model, constraining the generated data of the diffusion model based on the input data to be reconstructed. We introduce a 3D neural network architecture into the diffusion model, successfully extending the 2D diffusion model to 3D space. Additionally, we refine the model's generation process by incorporating missing data into the generation process, resulting in reconstructions with higher consistency. Through ablation studies determining optimal parameter values, our method exhibits superior reconstruction accuracy when applied to both field datasets and synthetic datasets, effectively addressing a wide range of complex missing patterns. Our implementation is available at https://github.com/WAL-l/SeisFusion.

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

Image denoising is a well-known and well studied problem, commonly targeting a minimization of the mean squared error (MSE) between the outcome and the original image. Unfortunately, especially for severe noise levels, such Minimum MSE (MMSE) solutions may lead to blurry output images. In this work we propose a novel stochastic denoising approach that produces viable and high perceptual quality results, while maintaining a small MSE. Our method employs Langevin dynamics that relies on a repeated application of any given MMSE denoiser, obtaining the reconstructed image by effectively sampling from the posterior distribution. Due to its stochasticity, the proposed algorithm can produce a variety of high-quality outputs for a given noisy input, all shown to be legitimate denoising results. In addition, we present an extension of our algorithm for handling the inpainting problem, recovering missing pixels while removing noise from partially given data.

Crowd sourcing has become a widely adopted scheme to collect ground truth labels. However, it is a well-known problem that these labels can be very noisy. In this paper, we demonstrate how to learn a deep convolutional neural network (DCNN) from noisy labels, using facial expression recognition as an example. More specifically, we have 10 taggers to label each input image, and compare four different approaches to utilizing the multiple labels: majority voting, multi-label learning, probabilistic label drawing, and cross-entropy loss. We show that the traditional majority voting scheme does not perform as well as the last two approaches that fully leverage the label distribution. An enhanced FER+ data set with multiple labels for each face image will also be shared with the research community.

What do auto-encoders learn about the underlying data generating distribution? Recent work suggests that some auto-encoder variants do a good job of capturing the local manifold structure of data. This paper clarifies some of these previous observations by showing that minimizing a particular form of regularized reconstruction error yields a reconstruction function that locally characterizes the shape of the data generating density. We show that the auto-encoder captures the score (derivative of the log-density with respect to the input). It contradicts previous interpretations of reconstruction error as an energy function. Unlike previous results, the theorems provided here are completely generic and do not depend on the parametrization of the auto-encoder: they show what the auto-encoder would tend to if given enough capacity and examples. These results are for a contractive training criterion we show to be similar to the denoising auto-encoder training criterion with small corruption noise, but with contraction applied on the whole reconstruction function rather than just encoder. Similarly to score matching, one can consider the proposed training criterion as a convenient alternative to maximum likelihood because it does not involve a partition function. Finally, we show how an approximate Metropolis-Hastings MCMC can be setup to recover samples from the estimated distribution, and this is confirmed in sampling experiments.

The ability of deep neural networks to generalise well even when they interpolate their training data has been explained using various "simplicity biases". These theories postulate that neural networks avoid overfitting by first learning simple functions, say a linear classifier, before learning more complex, non-linear functions. Meanwhile, data structure is also recognised as a key ingredient for good generalisation, yet its role in simplicity biases is not yet understood. Here, we show that neural networks trained using stochastic gradient descent initially classify their inputs using lower-order input statistics, like mean and covariance, and exploit higher-order statistics only later during training. We first demonstrate this distributional simplicity bias (DSB) in a solvable model of a neural network trained on synthetic data. We empirically demonstrate DSB in a range of deep convolutional networks and visual transformers trained on CIFAR10, and show that it even holds in networks pre-trained on ImageNet. We discuss the relation of DSB to other simplicity biases and consider its implications for the principle of Gaussian universality in learning.

Long-tailed learning has garnered increasing attention due to its practical significance. Among the various approaches, the fine-tuning paradigm has gained considerable interest with the advent of foundation models. However, most existing methods primarily focus on leveraging knowledge from these models, overlooking the inherent biases introduced by the imbalanced training data they rely on. In this paper, we examine how such imbalances from pre-training affect long-tailed downstream tasks. Specifically, we find the imbalance biases inherited in foundation models on downstream task as parameter imbalance and data imbalance. During fine-tuning, we observe that parameter imbalance plays a more critical role, while data imbalance can be mitigated using existing re-balancing strategies. Moreover, we find that parameter imbalance cannot be effectively addressed by current re-balancing techniques, such as adjusting the logits, during training, unlike data imbalance. To tackle both imbalances simultaneously, we build our method on causal learning and view the incomplete semantic factor as the confounder, which brings spurious correlations between input samples and labels. To resolve the negative effects of this, we propose a novel backdoor adjustment method that learns the true causal effect between input samples and labels, rather than merely fitting the correlations in the data. Notably, we achieve an average performance increase of about 1.67% on each dataset.

Despite the remarkable versatility of Large Language Models (LLMs) and Multimodal LLMs (MLLMs) to generalize across both language and vision tasks, LLMs and MLLMs have shown vulnerability to jailbreaking, generating textual outputs that undermine safety, ethical, and bias standards when exposed to harmful or sensitive inputs. With the recent advancement of safety alignment via preference-tuning from human feedback, LLMs and MLLMs have been equipped with safety guardrails to yield safe, ethical, and fair responses with regard to harmful inputs. However, despite the significance of safety alignment, research on the vulnerabilities remains largely underexplored. In this paper, we investigate the unexplored vulnerability of the safety alignment, examining its ability to consistently provide safety guarantees for out-of-distribution(OOD)-ifying harmful inputs that may fall outside the aligned data distribution. Our key observation is that OOD-ifying the vanilla harmful inputs highly increases the uncertainty of the model to discern the malicious intent within the input, leading to a higher chance of being jailbroken. Exploiting this vulnerability, we propose JOOD, a new Jailbreak framework via OOD-ifying inputs beyond the safety alignment. We explore various off-the-shelf visual and textual transformation techniques for OOD-ifying the harmful inputs. Notably, we observe that even simple mixing-based techniques such as image mixup prove highly effective in increasing the uncertainty of the model, thereby facilitating the bypass of the safety alignment. Experiments across diverse jailbreak scenarios demonstrate that JOOD effectively jailbreaks recent proprietary LLMs and MLLMs such as GPT-4 and o1 with high attack success rate, which previous attack approaches have consistently struggled to jailbreak. Code is available at https://github.com/naver-ai/JOOD.

Generating educational questions of fairytales or storybooks is vital for improving children's literacy ability. However, it is challenging to generate questions that capture the interesting aspects of a fairytale story with educational meaningfulness. In this paper, we propose a novel question generation method that first learns the question type distribution of an input story paragraph, and then summarizes salient events which can be used to generate high-cognitive-demand questions. To train the event-centric summarizer, we finetune a pre-trained transformer-based sequence-to-sequence model using silver samples composed by educational question-answer pairs. On a newly proposed educational question answering dataset FairytaleQA, we show good performance of our method on both automatic and human evaluation metrics. Our work indicates the necessity of decomposing question type distribution learning and event-centric summary generation for educational question generation.

Diffusion-based models for robotic control, including vision-language-action (VLA) and vision-action (VA) policies, have demonstrated significant capabilities. Yet their advancement is constrained by the high cost of acquiring large-scale interaction datasets. This work introduces an alternative paradigm for enhancing policy performance without additional model training. Perhaps surprisingly, we demonstrate that the composed policies can exceed the performance of either parent policy. Our contribution is threefold. First, we establish a theoretical foundation showing that the convex composition of distributional scores from multiple diffusion models can yield a superior one-step functional objective compared to any individual score. A Gr\"onwall-type bound is then used to show that this single-step improvement propagates through entire generation trajectories, leading to systemic performance gains. Second, motivated by these results, we propose General Policy Composition (GPC), a training-free method that enhances performance by combining the distributional scores of multiple pre-trained policies via a convex combination and test-time search. GPC is versatile, allowing for the plug-and-play composition of heterogeneous policies, including VA and VLA models, as well as those based on diffusion or flow-matching, irrespective of their input visual modalities. Third, we provide extensive empirical validation. Experiments on Robomimic, PushT, and RoboTwin benchmarks, alongside real-world robotic evaluations, confirm that GPC consistently improves performance and adaptability across a diverse set of tasks. Further analysis of alternative composition operators and weighting strategies offers insights into the mechanisms underlying the success of GPC. These results establish GPC as a simple yet effective method for improving control performance by leveraging existing policies.

In many real-world applications, deployed models encounter inputs that differ from the data seen during training. Out-of-distribution detection identifies whether an input stems from an unseen distribution, while open-world recognition flags such inputs to ensure the system remains robust as ever-emerging, previously unknown categories appear and must be addressed without retraining. Foundation and vision-language models are pre-trained on large and diverse datasets with the expectation of broad generalization across domains, including medical imaging. However, benchmarking these models on test sets with only a few common outlier types silently collapses the evaluation back to a closed-set problem, masking failures on rare or truly novel conditions encountered in clinical use. We therefore present NOVA, a challenging, real-life evaluation-only benchmark of sim900 brain MRI scans that span 281 rare pathologies and heterogeneous acquisition protocols. Each case includes rich clinical narratives and double-blinded expert bounding-box annotations. Together, these enable joint assessment of anomaly localisation, visual captioning, and diagnostic reasoning. Because NOVA is never used for training, it serves as an extreme stress-test of out-of-distribution generalisation: models must bridge a distribution gap both in sample appearance and in semantic space. Baseline results with leading vision-language models (GPT-4o, Gemini 2.0 Flash, and Qwen2.5-VL-72B) reveal substantial performance drops across all tasks, establishing NOVA as a rigorous testbed for advancing models that can detect, localize, and reason about truly unknown anomalies.

Recent advances in natural language processing and the increased use of large language models have exposed new security vulnerabilities, such as backdoor attacks. Previous backdoor attacks require input manipulation after model distribution to activate the backdoor, posing limitations in real-world applicability. Addressing this gap, we introduce a novel Claim-Guided Backdoor Attack (CGBA), which eliminates the need for such manipulations by utilizing inherent textual claims as triggers. CGBA leverages claim extraction, clustering, and targeted training to trick models to misbehave on targeted claims without affecting their performance on clean data. CGBA demonstrates its effectiveness and stealthiness across various datasets and models, significantly enhancing the feasibility of practical backdoor attacks. Our code and data will be available at https://github.com/PaperCGBA/CGBA.

Well-designed prompts have demonstrated the potential to guide text-to-image models in generating amazing images. Although existing prompt engineering methods can provide high-level guidance, it is challenging for novice users to achieve the desired results by manually entering prompts due to a discrepancy between novice-user-input prompts and the model-preferred prompts. To bridge the distribution gap between user input behavior and model training datasets, we first construct a novel Coarse-Fine Granularity Prompts dataset (CFP) and propose a novel User-Friendly Fine-Grained Text Generation framework (UF-FGTG) for automated prompt optimization. For CFP, we construct a novel dataset for text-to-image tasks that combines coarse and fine-grained prompts to facilitate the development of automated prompt generation methods. For UF-FGTG, we propose a novel framework that automatically translates user-input prompts into model-preferred prompts. Specifically, we propose a prompt refiner that continually rewrites prompts to empower users to select results that align with their unique needs. Meanwhile, we integrate image-related loss functions from the text-to-image model into the training process of text generation to generate model-preferred prompts. Additionally, we propose an adaptive feature extraction module to ensure diversity in the generated results. Experiments demonstrate that our approach is capable of generating more visually appealing and diverse images than previous state-of-the-art methods, achieving an average improvement of 5% across six quality and aesthetic metrics.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

We study the gradients of a maxout network with respect to inputs and parameters and obtain bounds for the moments depending on the architecture and the parameter distribution. We observe that the distribution of the input-output Jacobian depends on the input, which complicates a stable parameter initialization. Based on the moments of the gradients, we formulate parameter initialization strategies that avoid vanishing and exploding gradients in wide networks. Experiments with deep fully-connected and convolutional networks show that this strategy improves SGD and Adam training of deep maxout networks. In addition, we obtain refined bounds on the expected number of linear regions, results on the expected curve length distortion, and results on the NTK.

We present cmKAN, a versatile framework for color matching. Given an input image with colors from a source color distribution, our method effectively and accurately maps these colors to match a target color distribution in both supervised and unsupervised settings. Our framework leverages the spline capabilities of Kolmogorov-Arnold Networks (KANs) to model the color matching between source and target distributions. Specifically, we developed a hypernetwork that generates spatially varying weight maps to control the nonlinear splines of a KAN, enabling accurate color matching. As part of this work, we introduce a first large-scale dataset of paired images captured by two distinct cameras and evaluate the efficacy of our and existing methods in matching colors. We evaluated our approach across various color-matching tasks, including: (1) raw-to-raw mapping, where the source color distribution is in one camera's raw color space and the target in another camera's raw space; (2) raw-to-sRGB mapping, where the source color distribution is in a camera's raw space and the target is in the display sRGB space, emulating the color rendering of a camera ISP; and (3) sRGB-to-sRGB mapping, where the goal is to transfer colors from a source sRGB space (e.g., produced by a source camera ISP) to a target sRGB space (e.g., from a different camera ISP). The results show that our method outperforms existing approaches by 37.3% on average for supervised and unsupervised cases while remaining lightweight compared to other methods. The codes, dataset, and pre-trained models are available at: https://github.com/gosha20777/cmKAN

This work proposes a new generation-based 3D reconstruction method, named Cupid, that accurately infers the camera pose, 3D shape, and texture of an object from a single 2D image. Cupid casts 3D reconstruction as a conditional sampling process from a learned distribution of 3D objects, and it jointly generates voxels and pixel-voxel correspondences, enabling robust pose and shape estimation under a unified generative framework. By representing both input camera poses and 3D shape as a distribution in a shared 3D latent space, Cupid adopts a two-stage flow matching pipeline: (1) a coarse stage that produces initial 3D geometry with associated 2D projections for pose recovery; and (2) a refinement stage that integrates pose-aligned image features to enhance structural fidelity and appearance details. Extensive experiments demonstrate Cupid outperforms leading 3D reconstruction methods with an over 3 dB PSNR gain and an over 10% Chamfer Distance reduction, while matching monocular estimators on pose accuracy and delivering superior visual fidelity over baseline 3D generative models. For an immersive view of the 3D results generated by Cupid, please visit cupid3d.github.io.

Known for their impressive performance in generative modeling, diffusion models are attractive candidates for density-based anomaly detection. This paper investigates different variations of diffusion modeling for unsupervised and semi-supervised anomaly detection. In particular, we find that Denoising Diffusion Probability Models (DDPM) are performant on anomaly detection benchmarks yet computationally expensive. By simplifying DDPM in application to anomaly detection, we are naturally led to an alternative approach called Diffusion Time Estimation (DTE). DTE estimates the distribution over diffusion time for a given input and uses the mode or mean of this distribution as the anomaly score. We derive an analytical form for this density and leverage a deep neural network to improve inference efficiency. Through empirical evaluations on the ADBench benchmark, we demonstrate that all diffusion-based anomaly detection methods perform competitively for both semi-supervised and unsupervised settings. Notably, DTE achieves orders of magnitude faster inference time than DDPM, while outperforming it on this benchmark. These results establish diffusion-based anomaly detection as a scalable alternative to traditional methods and recent deep-learning techniques for standard unsupervised and semi-supervised anomaly detection settings.

We present GlotScript, an open resource and tool for low resource writing system identification. GlotScript-R is a resource that provides the attested writing systems for more than 7,000 languages. It is compiled by aggregating information from existing writing system resources. GlotScript-T is a writing system identification tool that covers all 161 Unicode 15.0 scripts. For an input text, it returns its script distribution where scripts are identified by ISO 15924 codes. We also present two use cases for GlotScript. First, we demonstrate that GlotScript supports cleaning multilingual corpora such as mC4 and OSCAR. Second, we analyze the tokenization of a number of language models such as GPT-4 using GlotScript and provide insights on the coverage of low resource scripts and languages by each language model. We hope that GlotScript will become a useful resource for work on low resource languages in the NLP community. GlotScript-R and GlotScript-T are available at https://github.com/cisnlp/GlotScript.

Contrastive learning is a highly successful technique for learning representations of data from labeled tuples, specifying the distance relations within the tuple. We study the sample complexity of contrastive learning, i.e. the minimum number of labeled tuples sufficient for getting high generalization accuracy. We give tight bounds on the sample complexity in a variety of settings, focusing on arbitrary distance functions, both general ell_p-distances, and tree metrics. Our main result is an (almost) optimal bound on the sample complexity of learning ell_p-distances for integer p. For any p ge 1 we show that tilde Theta(min(nd,n^2)) labeled tuples are necessary and sufficient for learning d-dimensional representations of n-point datasets. Our results hold for an arbitrary distribution of the input samples and are based on giving the corresponding bounds on the Vapnik-Chervonenkis/Natarajan dimension of the associated problems. We further show that the theoretical bounds on sample complexity obtained via VC/Natarajan dimension can have strong predictive power for experimental results, in contrast with the folklore belief about a substantial gap between the statistical learning theory and the practice of deep learning.

Fully automatic cardiac segmentation can be a fast and reproducible method to extract clinical measurements from an echocardiography examination. The U-Net architecture is the current state-of-the-art deep learning architecture for medical segmentation and can segment cardiac structures in real-time with average errors comparable to inter-observer variability. However, this architecture still generates large outliers that are often anatomically incorrect. This work uses the concept of graph convolutional neural networks that predict the contour points of the structures of interest instead of labeling each pixel. We propose a graph architecture that uses two convolutional rings based on cardiac anatomy and show that this eliminates anatomical incorrect multi-structure segmentations on the publicly available CAMUS dataset. Additionally, this work contributes with an ablation study on the graph convolutional architecture and an evaluation of clinical measurements on the clinical HUNT4 dataset. Finally, we propose to use the inter-model agreement of the U-Net and the graph network as a predictor of both the input and segmentation quality. We show this predictor can detect out-of-distribution and unsuitable input images in real-time. Source code is available online: https://github.com/gillesvntnu/GCN_multistructure

Out-of-distribution (OOD) detection refers to training the model on an in-distribution (ID) dataset to classify whether the input images come from unknown classes. Considerable effort has been invested in designing various OOD detection methods based on either convolutional neural networks or transformers. However, zero-shot OOD detection methods driven by CLIP, which only require class names for ID, have received less attention. This paper presents a novel method, namely CLIP saying no (CLIPN), which empowers the logic of saying no within CLIP. Our key motivation is to equip CLIP with the capability of distinguishing OOD and ID samples using positive-semantic prompts and negation-semantic prompts. Specifically, we design a novel learnable no prompt and a no text encoder to capture negation semantics within images. Subsequently, we introduce two loss functions: the image-text binary-opposite loss and the text semantic-opposite loss, which we use to teach CLIPN to associate images with no prompts, thereby enabling it to identify unknown samples. Furthermore, we propose two threshold-free inference algorithms to perform OOD detection by utilizing negation semantics from no prompts and the text encoder. Experimental results on 9 benchmark datasets (3 ID datasets and 6 OOD datasets) for the OOD detection task demonstrate that CLIPN, based on ViT-B-16, outperforms 7 well-used algorithms by at least 2.34% and 11.64% in terms of AUROC and FPR95 for zero-shot OOD detection on ImageNet-1K. Our CLIPN can serve as a solid foundation for effectively leveraging CLIP in downstream OOD tasks. The code is available on https://github.com/xmed-lab/CLIPN.

We present a diffusion-based model for 3D-aware generative novel view synthesis from as few as a single input image. Our model samples from the distribution of possible renderings consistent with the input and, even in the presence of ambiguity, is capable of rendering diverse and plausible novel views. To achieve this, our method makes use of existing 2D diffusion backbones but, crucially, incorporates geometry priors in the form of a 3D feature volume. This latent feature field captures the distribution over possible scene representations and improves our method's ability to generate view-consistent novel renderings. In addition to generating novel views, our method has the ability to autoregressively synthesize 3D-consistent sequences. We demonstrate state-of-the-art results on synthetic renderings and room-scale scenes; we also show compelling results for challenging, real-world objects.

Deep learning models are intrinsically sensitive to distribution shifts in the input data. In particular, small, barely perceivable perturbations to the input data can force models to make wrong predictions with high confidence. An common defense mechanism is regularization through adversarial training which injects worst-case perturbations back into training to strengthen the decision boundaries, and to reduce overfitting. In this context, we perform an investigation of 3x3 convolution filters that form in adversarially-trained models. Filters are extracted from 71 public models of the linf-RobustBench CIFAR-10/100 and ImageNet1k leaderboard and compared to filters extracted from models built on the same architectures but trained without robust regularization. We observe that adversarially-robust models appear to form more diverse, less sparse, and more orthogonal convolution filters than their normal counterparts. The largest differences between robust and normal models are found in the deepest layers, and the very first convolution layer, which consistently and predominantly forms filters that can partially eliminate perturbations, irrespective of the architecture. Data & Project website: https://github.com/paulgavrikov/cvpr22w_RobustnessThroughTheLens

Feed-forward layers constitute two-thirds of a transformer model's parameters, yet their role in the network remains under-explored. We show that feed-forward layers in transformer-based language models operate as key-value memories, where each key correlates with textual patterns in the training examples, and each value induces a distribution over the output vocabulary. Our experiments show that the learned patterns are human-interpretable, and that lower layers tend to capture shallow patterns, while upper layers learn more semantic ones. The values complement the keys' input patterns by inducing output distributions that concentrate probability mass on tokens likely to appear immediately after each pattern, particularly in the upper layers. Finally, we demonstrate that the output of a feed-forward layer is a composition of its memories, which is subsequently refined throughout the model's layers via residual connections to produce the final output distribution.

As the number of seismic sensors grows, it is becoming increasingly difficult for analysts to pick seismic phases manually and comprehensively, yet such efforts are fundamental to earthquake monitoring. Despite years of improvements in automatic phase picking, it is difficult to match the performance of experienced analysts. A more subtle issue is that different seismic analysts may pick phases differently, which can introduce bias into earthquake locations. We present a deep-neural-network-based arrival-time picking method called "PhaseNet" that picks the arrival times of both P and S waves. Deep neural networks have recently made rapid progress in feature learning, and with sufficient training, have achieved super-human performance in many applications. PhaseNet uses three-component seismic waveforms as input and generates probability distributions of P arrivals, S arrivals, and noise as output. We engineer PhaseNet such that peaks in probability provide accurate arrival times for both P and S waves, and have the potential to increase the number of S-wave observations dramatically over what is currently available. This will enable both improved locations and improved shear wave velocity models. PhaseNet is trained on the prodigious available data set provided by analyst-labeled P and S arrival times from the Northern California Earthquake Data Center. The dataset we use contains more than seven million waveform samples extracted from over thirty years of earthquake recordings. We demonstrate that PhaseNet achieves much higher picking accuracy and recall rate than existing methods.

Attention distributions of the generated translations are a useful bi-product of attention-based recurrent neural network translation models and can be treated as soft alignments between the input and output tokens. In this work, we use attention distributions as a confidence metric for output translations. We present two strategies of using the attention distributions: filtering out bad translations from a large back-translated corpus, and selecting the best translation in a hybrid setup of two different translation systems. While manual evaluation indicated only a weak correlation between our confidence score and human judgments, the use-cases showed improvements of up to 2.22 BLEU points for filtering and 0.99 points for hybrid translation, tested on English<->German and English<->Latvian translation.

Model merging aggregates Large Language Models (LLMs) finetuned on different tasks into a stronger one. However, parameter conflicts between models leads to performance degradation in averaging. While model routing addresses this issue by selecting individual models during inference, it imposes excessive storage and compute costs, and fails to leverage the common knowledge from different models. In this work, we observe that different layers exhibit varying levels of parameter conflicts. Building on this insight, we average layers with minimal parameter conflicts and use a novel task-level expert routing for layers with significant conflicts. To further reduce storage costs, inspired by task arithmetic sparsity, we decouple multiple fine-tuned experts into a dense expert and several sparse experts. Considering the out-of-distribution samples, we select and merge appropriate experts based on the task uncertainty of the input data. We conduct extensive experiments on both LLaMA and Qwen with varying parameter scales, and evaluate on real-world reasoning tasks. Results demonstrate that our method consistently achieves significant performance improvements while requiring less system cost compared to existing methods.

While LLMs have demonstrated impressive performance across various domains and tasks, their security issues have become increasingly severe. Machine unlearning (MU) has emerged as a promising solution to address these issues by removing the influence of undesired data on the target model without compromising its utility in other aspects. MU typically assumes full access to the original training data to preserve utility, which is difficult to achieve in LLM unlearning. Existing LLM unlearning methods often assume access to data most affected by undesired data unlearning. However, this assumption underestimates the entanglement among various LLM capabilities and ignores data access limitations due to various issues. Moreover, these LLM unlearning methods do not sufficiently consider that unlearning requests in real-world scenarios are continuously emerging. To overcome these challenges and achieve practical LLM unlearning, we propose the O3 framework. The O3 framework includes an Out-Of-Distribution (OOD) detector to measure the similarity between input and unlearning data, and an Orthogonal low-rank adapter (LoRA) for continuously unlearning requested data. The OOD detector is trained with a novel contrastive entropy loss and utilizes a local-global layer-aggregated scoring mechanism. The orthogonal LoRA achieves parameter disentanglement among continual unlearning requests. During inference, our O3 framework can smartly decide whether and to what extent to load the unlearning LoRA based on the OOD detector's predictions. Notably, O3's effectiveness does not rely on any retained data. We conducted extensive experiments on O3 and state-of-the-art LLM unlearning methods across three tasks and seven datasets. The results indicate that O3 consistently achieves the best trade-off between unlearning effectiveness and utility preservation, especially when facing continuous unlearning requests.

Understanding the ability of humans to use objects is crucial for AI to improve daily life. Existing studies for learning such ability focus on human-object patterns (e.g., contact, spatial relation, orientation) in static situations, and learning Human-Object Interaction (HOI) patterns over time (i.e., movement of human and object) is relatively less explored. In this paper, we introduce a novel type of affordance named Dynamic Affordance. For a given input 3D object mesh, we learn dynamic affordance which models the distribution of both (1) human motion and (2) human-guided object pose during interactions. As a core idea, we present a method to learn the 3D dynamic affordance from synthetically generated 2D videos, leveraging a pre-trained video diffusion model. Specifically, we propose a pipeline that first generates 2D HOI videos from the 3D object and then lifts them into 3D to generate 4D HOI samples. Once we generate diverse 4D HOI samples on various target objects, we train our DAViD, where we present a method based on the Low-Rank Adaptation (LoRA) module for pre-trained human motion diffusion model (MDM) and an object pose diffusion model with human pose guidance. Our motion diffusion model is extended for multi-object interactions, demonstrating the advantage of our pipeline with LoRA for combining the concepts of object usage. Through extensive experiments, we demonstrate our DAViD outperforms the baselines in generating human motion with HOIs.

Tokenization is associated with many poorly understood shortcomings in language models (LMs), yet remains an important component for long sequence scaling purposes. This work studies how tokenization impacts model performance by analyzing and comparing the stochastic behavior of tokenized models with their byte-level, or token-free, counterparts. We discover that, even when the two models are statistically equivalent, their predictive distributions over the next byte can be substantially different, a phenomenon we term as "tokenization bias''. To fully characterize this phenomenon, we introduce the Byte-Token Representation Lemma, a framework that establishes a mapping between the learned token distribution and its equivalent byte-level distribution. From this result, we develop a next-byte sampling algorithm that eliminates tokenization bias without requiring further training or optimization. In other words, this enables zero-shot conversion of tokenized LMs into statistically equivalent token-free ones. We demonstrate its broad applicability with two use cases: fill-in-the-middle (FIM) tasks and model ensembles. In FIM tasks where input prompts may terminate mid-token, leading to out-of-distribution tokenization, our method mitigates performance degradation and achieves an approximately 18% improvement in FIM coding benchmarks, consistently outperforming the standard token healing fix. For model ensembles where each model employs a distinct vocabulary, our approach enables seamless integration, resulting in improved performance (up to 3.7%) over individual models across various standard baselines in reasoning, knowledge, and coding.

Recently, many methods to interpret and visualize deep neural network predictions have been proposed and significant progress has been made. However, a more class-discriminative and visually pleasing explanation is required. Thus, this paper proposes a region-based approach that estimates feature importance in terms of appropriately segmented regions. By fusing the saliency maps generated from multi-scale segmentations, a more class-discriminative and visually pleasing map is obtained. We incorporate this regional multi-scale concept into a prediction difference method that is model-agnostic. An input image is segmented in several scales using the super-pixel method, and exclusion of a region is simulated by sampling a normal distribution constructed using the boundary prior. The experimental results demonstrate that the regional multi-scale method produces much more class-discriminative and visually pleasing saliency maps.

We look at the eigenvalues of the Hessian of a loss function before and after training. The eigenvalue distribution is seen to be composed of two parts, the bulk which is concentrated around zero, and the edges which are scattered away from zero. We present empirical evidence for the bulk indicating how over-parametrized the system is, and for the edges that depend on the input data.

Training state-of-the-art, deep neural networks is computationally expensive. One way to reduce the training time is to normalize the activities of the neurons. A recently introduced technique called batch normalization uses the distribution of the summed input to a neuron over a mini-batch of training cases to compute a mean and variance which are then used to normalize the summed input to that neuron on each training case. This significantly reduces the training time in feed-forward neural networks. However, the effect of batch normalization is dependent on the mini-batch size and it is not obvious how to apply it to recurrent neural networks. In this paper, we transpose batch normalization into layer normalization by computing the mean and variance used for normalization from all of the summed inputs to the neurons in a layer on a single training case. Like batch normalization, we also give each neuron its own adaptive bias and gain which are applied after the normalization but before the non-linearity. Unlike batch normalization, layer normalization performs exactly the same computation at training and test times. It is also straightforward to apply to recurrent neural networks by computing the normalization statistics separately at each time step. Layer normalization is very effective at stabilizing the hidden state dynamics in recurrent networks. Empirically, we show that layer normalization can substantially reduce the training time compared with previously published techniques.

Graph Neural Networks (GNNs) have achieved remarkable performance on graph-based tasks. The key idea for GNNs is to obtain informative representation through aggregating information from local neighborhoods. However, it remains an open question whether the neighborhood information is adequately aggregated for learning representations of nodes with few neighbors. To address this, we propose a simple and efficient data augmentation strategy, local augmentation, to learn the distribution of the node features of the neighbors conditioned on the central node's feature and enhance GNN's expressive power with generated features. Local augmentation is a general framework that can be applied to any GNN model in a plug-and-play manner. It samples feature vectors associated with each node from the learned conditional distribution as additional input for the backbone model at each training iteration. Extensive experiments and analyses show that local augmentation consistently yields performance improvement when applied to various GNN architectures across a diverse set of benchmarks. For example, experiments show that plugging in local augmentation to GCN and GAT improves by an average of 3.4\% and 1.6\% in terms of test accuracy on Cora, Citeseer, and Pubmed. Besides, our experimental results on large graphs (OGB) show that our model consistently improves performance over backbones. Code is available at https://github.com/SongtaoLiu0823/LAGNN.