Daily Papers

We present Nacrith, a lossless compression system that combines a 135M-parameter transformer language model (SmolLM2-135M) with an ensemble of lightweight online predictors and a 32-bit arithmetic coder. Beyond the base LLM-plus-arithmetic-coding paradigm, Nacrith introduces several contributions: (1) a CDF precision upgrade from 2^16 to 2^24 that eliminates ~75% of quantization overhead caused by minimum-probability floors in large vocabularies; (2) a token-level N-gram model for fast local predictions; (3) an adaptive log-space bias head correcting per-document LLM errors via online gradient descent; (4) confidence-based LLM skip for accelerating highly predictable tokens; (5) a hybrid binary format (NC06) extending neural compression to arbitrary binary files--to our knowledge a first among LLM-based compressors; (6) a llama.cpp inference backend achieving ~7x faster single-token decode than PyTorch; (7) parallel multi-GPU compression across up to 8 workers; and (8) native KV cache sliding window reducing per-slide cost by ~37x. The system requires only ~500 MB of GGUF weights and ~1.2 GB VRAM per worker, running on consumer GPUs. On alice29.txt (Canterbury Corpus, 152 KB), Nacrith achieves 0.918 bits per byte (bpb)--outperforming gzip by 3.1x, bzip2 by 2.5x, CMIX v21 by 44%, and ts_zip by 20%, while compressing below the 0th-, 1st-, and 2nd-order byte-level Shannon entropy bounds. On enwik8 (100 MB), Nacrith achieves 0.9389 bpb (11.74%), surpassing ts_zip (~1.11 bpb) by 15% and FineZip (1.024 bpb) by 8% despite using a 60x smaller model with no fine-tuning. An out-of-distribution evaluation on a document published after the model's training cutoff confirms these gains are not memorization artifacts, achieving 0.723 bpb on unseen text.

The word embedding space in neural models is skewed, and correcting this can improve task performance. We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are uniform; in reality, word frequencies follow a highly non-uniform distribution, known as Zipf's law. Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines. From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures. By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective, and in terms of the loss functions for imbalanced classification. Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling, WhiteningBERT, and headless language models, work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.

We use tools from geometric statistics to analyze the usual estimation procedure of a template shape. This applies to shapes from landmarks, curves, surfaces, images etc. We demonstrate the asymptotic bias of the template shape estimation using the stratified geometry of the shape space. We give a Taylor expansion of the bias with respect to a parameter sigma describing the measurement error on the data. We propose two bootstrap procedures that quantify the bias and correct it, if needed. They are applicable for any type of shape data. We give a rule of thumb to provide intuition on whether the bias has to be corrected. This exhibits the parameters that control the bias' magnitude. We illustrate our results on simulated and real shape data.

Much research in machine learning involves finding appropriate inductive biases (e.g. convolutional neural networks, momentum-based optimizers, transformers) to promote generalization on tasks. However, quantification of the amount of inductive bias associated with these architectures and hyperparameters has been limited. We propose a novel method for efficiently computing the inductive bias required for generalization on a task with a fixed training data budget; formally, this corresponds to the amount of information required to specify well-generalizing models within a specific hypothesis space of models. Our approach involves modeling the loss distribution of random hypotheses drawn from a hypothesis space to estimate the required inductive bias for a task relative to these hypotheses. Unlike prior work, our method provides a direct estimate of inductive bias without using bounds and is applicable to diverse hypothesis spaces. Moreover, we derive approximation error bounds for our estimation approach in terms of the number of sampled hypotheses. Consistent with prior results, our empirical results demonstrate that higher dimensional tasks require greater inductive bias. We show that relative to other expressive model classes, neural networks as a model class encode large amounts of inductive bias. Furthermore, our measure quantifies the relative difference in inductive bias between different neural network architectures. Our proposed inductive bias metric provides an information-theoretic interpretation of the benefits of specific model architectures for certain tasks and provides a quantitative guide to developing tasks requiring greater inductive bias, thereby encouraging the development of more powerful inductive biases.

The ability to control for the kinds of information encoded in neural representation has a variety of use cases, especially in light of the challenge of interpreting these models. We present Iterative Null-space Projection (INLP), a novel method for removing information from neural representations. Our method is based on repeated training of linear classifiers that predict a certain property we aim to remove, followed by projection of the representations on their null-space. By doing so, the classifiers become oblivious to that target property, making it hard to linearly separate the data according to it. While applicable for multiple uses, we evaluate our method on bias and fairness use-cases, and show that our method is able to mitigate bias in word embeddings, as well as to increase fairness in a setting of multi-class classification.

Denoising Diffusion Models (DDMs) have emerged as a strong competitor to Generative Adversarial Networks (GANs). However, despite their widespread use in image synthesis and editing applications, their latent space is still not as well understood. Recently, a semantic latent space for DDMs, coined `h-space', was shown to facilitate semantic image editing in a way reminiscent of GANs. The h-space is comprised of the bottleneck activations in the DDM's denoiser across all timesteps of the diffusion process. In this paper, we explore the properties of h-space and propose several novel methods for finding meaningful semantic directions within it. We start by studying unsupervised methods for revealing interpretable semantic directions in pretrained DDMs. Specifically, we show that global latent directions emerge as the principal components in the latent space. Additionally, we provide a novel method for discovering image-specific semantic directions by spectral analysis of the Jacobian of the denoiser w.r.t. the latent code. Next, we extend the analysis by finding directions in a supervised fashion in unconditional DDMs. We demonstrate how such directions can be found by relying on either a labeled data set of real images or by annotating generated samples with a domain-specific attribute classifier. We further show how to semantically disentangle the found direction by simple linear projection. Our approaches are applicable without requiring any architectural modifications, text-based guidance, CLIP-based optimization, or model fine-tuning.

Interpretability methods for large language models (LLMs) typically derive directions from textual supervision, which can lack external grounding. We propose using human brain activity not as a training signal but as a coordinate system for reading and steering LLM states. Using the SMN4Lang MEG dataset, we construct a word-level brain atlas of phase-locking value (PLV) patterns and extract latent axes via ICA. We validate axes with independent lexica and NER-based labels (POS/log-frequency used as sanity checks), then train lightweight adapters that map LLM hidden states to these brain axes without fine-tuning the LLM. Steering along the resulting brain-derived directions yields a robust lexical (frequency-linked) axis in a mid TinyLlama layer, surviving perplexity-matched controls, and a brain-vs-text probe comparison shows larger log-frequency shifts (relative to the text probe) with lower perplexity for the brain axis. A function/content axis (axis 13) shows consistent steering in TinyLlama, Qwen2-0.5B, and GPT-2, with PPL-matched text-level corroboration. Layer-4 effects in TinyLlama are large but inconsistent, so we treat them as secondary (Appendix). Axis structure is stable when the atlas is rebuilt without GPT embedding-change features or with word2vec embeddings (|r|=0.64-0.95 across matched axes), reducing circularity concerns. Exploratory fMRI anchoring suggests potential alignment for embedding change and log frequency, but effects are sensitive to hemodynamic modeling assumptions and are treated as population-level evidence only. These results support a new interface: neurophysiology-grounded axes provide interpretable and controllable handles for LLM behavior.

Position bias has proven to be a prevalent issue of modern language models (LMs), where the models prioritize content based on its position within the given context. This bias often leads to unexpected model failures and hurts performance, robustness, and reliability across various applications. Our mechanistic analysis attributes the position bias to two components employed in nearly all state-of-the-art LMs: causal attention and relative positional encodings. Specifically, we find that causal attention generally causes models to favor distant content, while relative positional encodings like RoPE prefer nearby ones based on the analysis of retrieval-augmented question answering (QA). Further, our empirical study on object detection reveals that position bias is also present in vision-language models (VLMs). Based on the above analyses, we propose to ELIMINATE position bias caused by different input segment orders (e.g., options in LM-as-a-judge, retrieved documents in QA) in a TRAINING-FREE ZERO-SHOT manner. Our method changes the causal attention to bidirectional attention between segments and utilizes model attention values to decide the relative orders of segments instead of using the order provided in input prompts, therefore enabling Position-INvariant inferencE (PINE) at the segment level. By eliminating position bias, models achieve better performance and reliability in downstream tasks where position bias widely exists, such as LM-as-a-judge and retrieval-augmented QA. Notably, PINE is especially useful when adapting LMs for evaluating reasoning pairs: it consistently provides 8 to 10 percentage points performance gains in most cases, and makes Llama-3-70B-Instruct perform even better than GPT-4-0125-preview on the RewardBench reasoning subset.

Learning unnormalized statistical models (e.g., energy-based models) is computationally challenging due to the complexity of handling the partition function. To eschew this complexity, noise-contrastive estimation~(NCE) has been proposed by formulating the objective as the logistic loss of the real data and the artificial noise. However, as found in previous works, NCE may perform poorly in many tasks due to its flat loss landscape and slow convergence. In this paper, we study it a direct approach for optimizing the negative log-likelihood of unnormalized models from the perspective of compositional optimization. To tackle the partition function, a noise distribution is introduced such that the log partition function can be written as a compositional function whose inner function can be estimated with stochastic samples. Hence, the objective can be optimized by stochastic compositional optimization algorithms. Despite being a simple method, we demonstrate that it is more favorable than NCE by (1) establishing a fast convergence rate and quantifying its dependence on the noise distribution through the variance of stochastic estimators; (2) developing better results for one-dimensional Gaussian mean estimation by showing our objective has a much favorable loss landscape and hence our method enjoys faster convergence; (3) demonstrating better performance on multiple applications, including density estimation, out-of-distribution detection, and real image generation.

Diffusion models have emerged as the de facto choice for generating visual signals. However, training a single model to predict noise across various levels poses significant challenges, necessitating numerous iterations and incurring significant computational costs. Various approaches, such as loss weighting strategy design and architectural refinements, have been introduced to expedite convergence. In this study, we propose a novel approach to design the noise schedule for enhancing the training of diffusion models. Our key insight is that the importance sampling of the logarithm of the Signal-to-Noise ratio (logSNR), theoretically equivalent to a modified noise schedule, is particularly beneficial for training efficiency when increasing the sample frequency around log SNR=0. We empirically demonstrate the superiority of our noise schedule over the standard cosine schedule. Furthermore, we highlight the advantages of our noise schedule design on the ImageNet benchmark, showing that the designed schedule consistently benefits different prediction targets.

Gradient descent has proven to be a powerful and effective technique for optimization in numerous machine learning applications. Recent advances in computational neuroscience have shown that learning in standard gradient descent optimization formulation is not consistent with learning in biological systems. This has opened up interesting avenues for building biologically inspired learning techniques. One such approach is inspired by Dale's law, which states that inhibitory and excitatory synapses do not swap roles during the course of learning. The resulting exponential gradient descent optimization scheme leads to log-normally distributed synaptic weights. Interestingly, the density that satisfies the Fokker-Planck equation corresponding to the stochastic differential equation (SDE) with geometric Brownian motion (GBM) is the log-normal density. Leveraging this connection, we start with the SDE governing geometric Brownian motion, and show that discretizing the corresponding reverse-time SDE yields a multiplicative update rule, which surprisingly, coincides with the sampling equivalent of the exponential gradient descent update founded on Dale's law. Furthermore, we propose a new formalism for multiplicative denoising score-matching, subsuming the loss function proposed by Hyvaerinen for non-negative data. Indeed, log-normally distributed data is positive and the proposed score-matching formalism turns out to be a natural fit. This allows for training of score-based models for image data and results in a novel multiplicative update scheme for sample generation starting from a log-normal density. Experimental results on MNIST, Fashion MNIST, and Kuzushiji datasets demonstrate generative capability of the new scheme. To the best of our knowledge, this is the first instance of a biologically inspired generative model employing multiplicative updates, founded on geometric Brownian motion.

The topology of the hyperlink graph among pages expressing different opinions may influence the exposure of readers to diverse content. Structural bias may trap a reader in a polarized bubble with no access to other opinions. We model readers' behavior as random walks. A node is in a polarized bubble if the expected length of a random walk from it to a page of different opinion is large. The structural bias of a graph is the sum of the radii of highly-polarized bubbles. We study the problem of decreasing the structural bias through edge insertions. Healing all nodes with high polarized bubble radius is hard to approximate within a logarithmic factor, so we focus on finding the best k edges to insert to maximally reduce the structural bias. We present RePBubLik, an algorithm that leverages a variant of the random walk closeness centrality to select the edges to insert. RePBubLik obtains, under mild conditions, a constant-factor approximation. It reduces the structural bias faster than existing edge-recommendation methods, including some designed to reduce the polarization of a graph.

We give the first efficient algorithm for learning halfspaces in the testable learning model recently defined by Rubinfeld and Vasilyan (2023). In this model, a learner certifies that the accuracy of its output hypothesis is near optimal whenever the training set passes an associated test, and training sets drawn from some target distribution -- e.g., the Gaussian -- must pass the test. This model is more challenging than distribution-specific agnostic or Massart noise models where the learner is allowed to fail arbitrarily if the distributional assumption does not hold. We consider the setting where the target distribution is Gaussian (or more generally any strongly log-concave distribution) in d dimensions and the noise model is either Massart or adversarial (agnostic). For Massart noise, our tester-learner runs in polynomial time and outputs a hypothesis with (information-theoretically optimal) error opt + epsilon for any strongly log-concave target distribution. For adversarial noise, our tester-learner obtains error O(opt) + epsilon in polynomial time when the target distribution is Gaussian; for strongly log-concave distributions, we obtain O(opt) + epsilon in quasipolynomial time. Prior work on testable learning ignores the labels in the training set and checks that the empirical moments of the covariates are close to the moments of the base distribution. Here we develop new tests of independent interest that make critical use of the labels and combine them with the moment-matching approach of Gollakota et al. (2023). This enables us to simulate a variant of the algorithm of Diakonikolas et al. (2020) for learning noisy halfspaces using nonconvex SGD but in the testable learning setting.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

In this article, we study the consistency of the template estimation with the Fr\'echet mean in quotient spaces. The Fr\'echet mean in quotient spaces is often used when the observations are deformed or transformed by a group action. We show that in most cases this estimator is actually inconsistent. We exhibit a sufficient condition for this inconsistency, which amounts to the folding of the distribution of the noisy template when it is projected to the quotient space. This condition appears to be fulfilled as soon as the support of the noise is large enough. To quantify this inconsistency we provide lower and upper bounds of the bias as a function of the variability (the noise level). This shows that the consistency bias cannot be neglected when the variability increases.

There is a bias in the inference pipeline of most diffusion models. This bias arises from a signal leak whose distribution deviates from the noise distribution, creating a discrepancy between training and inference processes. We demonstrate that this signal-leak bias is particularly significant when models are tuned to a specific style, causing sub-optimal style matching. Recent research tries to avoid the signal leakage during training. We instead show how we can exploit this signal-leak bias in existing diffusion models to allow more control over the generated images. This enables us to generate images with more varied brightness, and images that better match a desired style or color. By modeling the distribution of the signal leak in the spatial frequency and pixel domains, and including a signal leak in the initial latent, we generate images that better match expected results without any additional training.

Chinchilla Approach 2 is among the most widely used methods for fitting neural scaling laws. Its parabolic approximation introduces systematic biases in compute-optimal allocation estimates, even on noise-free synthetic data. Applied to published Llama 3 IsoFLOP data at open frontier compute scales, these biases imply a parameter underallocation corresponding to 6.5% of the 3.8times10^{25} FLOP training budget and \1.4M (90% CI: 412K-\2.9M) in unnecessary compute at 50% H100 MFU. Simulated multimodal model misallocations show even greater opportunity costs due to higher loss surface asymmetry. Three sources of this error are examined: IsoFLOP sampling grid width (Taylor approximation accuracy), uncentered IsoFLOP sampling, and loss surface asymmetry (α\neq β$). Chinchilla Approach 3 largely eliminates these biases but is often regarded as less data-efficient, numerically unstable, prone to local minima, and harder to implement. Each concern is shown to be unfounded or addressable, especially when the partially linear structure of the objective is exploited via Variable Projection, enabling unbiased inference on all five loss surface parameters through a two-dimensional optimization that is well-conditioned, analytically differentiable, and amenable to dense, or even exhaustive, grid search. It may serve as a more convenient replacement for Approach 2 or a more scalable alternative for adaptations of Approach 3 to richer scaling law formulations.

In recent years, Large Language Models (LLMs) have witnessed a remarkable surge in prevalence, altering the landscape of natural language processing and machine learning. One key factor in improving the performance of LLMs is alignment with humans achieved with Reinforcement Learning from Human Feedback (RLHF), as for many LLMs such as GPT-4, Bard, etc. In addition, recent studies are investigating the replacement of human feedback with feedback from other LLMs named Reinforcement Learning from AI Feedback (RLAIF). We examine the biases that come along with evaluating LLMs with other LLMs and take a closer look into verbosity bias -- a bias where LLMs sometimes prefer more verbose answers even if they have similar qualities. We see that in our problem setting, GPT-4 prefers longer answers more than humans. We also propose a metric to measure this bias.

In natural language processing, a recently popular line of work explores how to best report the experimental results of neural networks. One exemplar publication, titled "Show Your Work: Improved Reporting of Experimental Results," advocates for reporting the expected validation effectiveness of the best-tuned model, with respect to the computational budget. In the present work, we critically examine this paper. As far as statistical generalizability is concerned, we find unspoken pitfalls and caveats with this approach. We analytically show that their estimator is biased and uses error-prone assumptions. We find that the estimator favors negative errors and yields poor bootstrapped confidence intervals. We derive an unbiased alternative and bolster our claims with empirical evidence from statistical simulation. Our codebase is at http://github.com/castorini/meanmax.

State-of-the-art natural language processing (NLP) models often learn to model dataset biases and surface form correlations instead of features that target the intended underlying task. Previous work has demonstrated effective methods to circumvent these issues when knowledge of the bias is available. We consider cases where the bias issues may not be explicitly identified, and show a method for training models that learn to ignore these problematic correlations. Our approach relies on the observation that models with limited capacity primarily learn to exploit biases in the dataset. We can leverage the errors of such limited capacity models to train a more robust model in a product of experts, thus bypassing the need to hand-craft a biased model. We show the effectiveness of this method to retain improvements in out-of-distribution settings even if no particular bias is targeted by the biased model.

We present a faster algorithm to generate a warm start for sampling an arbitrary logconcave density specified by an evaluation oracle, leading to the first sub-cubic sampling algorithms for inputs in (near-)isotropic position. A long line of prior work incurred a warm-start penalty of at least linear in the dimension, hitting a cubic barrier, even for the special case of uniform sampling from convex bodies. Our improvement relies on two key ingredients of independent interest. (1) We show how to sample given a warm start in weaker notions of distance, in particular q-R\'enyi divergence for q=mathcal{O}(1), whereas previous analyses required stringent infty-R\'enyi divergence (with the exception of Hit-and-Run, whose known mixing time is higher). This marks the first improvement in the required warmness since Lov\'asz and Simonovits (1991). (2) We refine and generalize the log-Sobolev inequality of Lee and Vempala (2018), originally established for isotropic logconcave distributions in terms of the diameter of the support, to logconcave distributions in terms of a geometric average of the support diameter and the largest eigenvalue of the covariance matrix.

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

Many existing conditional score-based data generation methods utilize Bayes' theorem to decompose the gradients of a log posterior density into a mixture of scores. These methods facilitate the training procedure of conditional score models, as a mixture of scores can be separately estimated using a score model and a classifier. However, our analysis indicates that the training objectives for the classifier in these methods may lead to a serious score mismatch issue, which corresponds to the situation that the estimated scores deviate from the true ones. Such an issue causes the samples to be misled by the deviated scores during the diffusion process, resulting in a degraded sampling quality. To resolve it, we formulate a novel training objective, called Denoising Likelihood Score Matching (DLSM) loss, for the classifier to match the gradients of the true log likelihood density. Our experimental evidence shows that the proposed method outperforms the previous methods on both Cifar-10 and Cifar-100 benchmarks noticeably in terms of several key evaluation metrics. We thus conclude that, by adopting DLSM, the conditional scores can be accurately modeled, and the effect of the score mismatch issue is alleviated.

Recent image generation models show remarkable generation performance. However, they mirror strong location preference in datasets, which we call spatial bias. Therefore, generators render poor samples at unseen locations and scales. We argue that the generators rely on their implicit positional encoding to render spatial content. From our observations, the generator's implicit positional encoding is translation-variant, making the generator spatially biased. To address this issue, we propose injecting explicit positional encoding at each scale of the generator. By learning the spatially unbiased generator, we facilitate the robust use of generators in multiple tasks, such as GAN inversion, multi-scale generation, generation of arbitrary sizes and aspect ratios. Furthermore, we show that our method can also be applied to denoising diffusion probabilistic models.

Text-guided diffusion models have significantly advanced image editing, enabling high-quality and diverse modifications driven by text prompts. However, effective editing requires inverting the source image into a latent space, a process often hindered by prediction errors inherent in DDIM inversion. These errors accumulate during the diffusion process, resulting in inferior content preservation and edit fidelity, especially with conditional inputs. We address these challenges by investigating the primary contributors to error accumulation in DDIM inversion and identify the singularity problem in traditional noise schedules as a key issue. To resolve this, we introduce the Logistic Schedule, a novel noise schedule designed to eliminate singularities, improve inversion stability, and provide a better noise space for image editing. This schedule reduces noise prediction errors, enabling more faithful editing that preserves the original content of the source image. Our approach requires no additional retraining and is compatible with various existing editing methods. Experiments across eight editing tasks demonstrate the Logistic Schedule's superior performance in content preservation and edit fidelity compared to traditional noise schedules, highlighting its adaptability and effectiveness.

Positional bias (PB), manifesting as non-uniform sensitivity across different contextual locations, significantly impairs long-context comprehension and processing capabilities. While prior work seeks to mitigate PB through modifying the architectures causing its emergence, significant PB still persists. To address PB effectively, we introduce Pos2Distill, a position to position knowledge distillation framework. Pos2Distill transfers the superior capabilities from advantageous positions to less favorable ones, thereby reducing the huge performance gaps. The conceptual principle is to leverage the inherent, position-induced disparity to counteract the PB itself. We identify distinct manifestations of PB under \textsc{r}etrieval and \textsc{r}easoning paradigms, thereby designing two specialized instantiations: Pos2Distill-R\textsuperscript{1} and Pos2Distill-R\textsuperscript{2} respectively, both grounded in this core principle. By employing the Pos2Distill approach, we achieve enhanced uniformity and significant performance gains across all contextual positions in long-context retrieval and reasoning tasks. Crucially, both specialized systems exhibit strong cross-task generalization mutually, while achieving superior performance on their respective tasks.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

An effective technique for obtaining high-quality representations is adding a projection head on top of the encoder during training, then discarding it and using the pre-projection representations. Despite its proven practical effectiveness, the reason behind the success of this technique is poorly understood. The pre-projection representations are not directly optimized by the loss function, raising the question: what makes them better? In this work, we provide a rigorous theoretical answer to this question. We start by examining linear models trained with self-supervised contrastive loss. We reveal that the implicit bias of training algorithms leads to layer-wise progressive feature weighting, where features become increasingly unequal as we go deeper into the layers. Consequently, lower layers tend to have more normalized and less specialized representations. We theoretically characterize scenarios where such representations are more beneficial, highlighting the intricate interplay between data augmentation and input features. Additionally, we demonstrate that introducing non-linearity into the network allows lower layers to learn features that are completely absent in higher layers. Finally, we show how this mechanism improves the robustness in supervised contrastive learning and supervised learning. We empirically validate our results through various experiments on CIFAR-10/100, UrbanCars and shifted versions of ImageNet. We also introduce a potential alternative to projection head, which offers a more interpretable and controllable design.

Language models strongly rely on frequency information because they maximize the likelihood of tokens during pre-training. As a consequence, language models tend to not generalize well to tokens that are seldom seen during training. Moreover, maximum likelihood training has been discovered to give rise to anisotropy: representations of tokens in a model tend to cluster tightly in a high-dimensional cone, rather than spreading out over their representational capacity. Our work introduces a method for quantifying the frequency bias of a language model by assessing sentence-level perplexity with respect to token-level frequency. We then present a method for reducing the frequency bias of a language model by inducing a syntactic prior over token representations during pre-training. Our Syntactic Smoothing method adjusts the maximum likelihood objective function to distribute the learning signal to syntactically similar tokens. This approach results in better performance on infrequent English tokens and a decrease in anisotropy. We empirically show that the degree of anisotropy in a model correlates with its frequency bias.

Recently, there has been extensive research interest in training deep networks to denoise images without clean reference. However, the representative approaches such as Noise2Noise, Noise2Void, Stein's unbiased risk estimator (SURE), etc. seem to differ from one another and it is difficult to find the coherent mathematical structure. To address this, here we present a novel approach, called Noise2Score, which reveals a missing link in order to unite these seemingly different approaches. Specifically, we show that image denoising problems without clean images can be addressed by finding the mode of the posterior distribution and that the Tweedie's formula offers an explicit solution through the score function (i.e. the gradient of log likelihood). Our method then uses the recent finding that the score function can be stably estimated from the noisy images using the amortized residual denoising autoencoder, the method of which is closely related to Noise2Noise or Nose2Void. Our Noise2Score approach is so universal that the same network training can be used to remove noises from images that are corrupted by any exponential family distributions and noise parameters. Using extensive experiments with Gaussian, Poisson, and Gamma noises, we show that Noise2Score significantly outperforms the state-of-the-art self-supervised denoising methods in the benchmark data set such as (C)BSD68, Set12, and Kodak, etc.

Many problems in machine learning are naturally expressed in the language of undirected graphical models. Here, we propose black-box learning and inference algorithms for undirected models that optimize a variational approximation to the log-likelihood of the model. Central to our approach is an upper bound on the log-partition function parametrized by a function q that we express as a flexible neural network. Our bound makes it possible to track the partition function during learning, to speed-up sampling, and to train a broad class of hybrid directed/undirected models via a unified variational inference framework. We empirically demonstrate the effectiveness of our method on several popular generative modeling datasets.

As large language models (LLMs) become more integrated into societal systems, the risk of them perpetuating and amplifying harmful biases becomes a critical safety concern. Traditional methods for mitigating bias often rely on data filtering or post-hoc output moderation, which treat the model as an opaque black box. In this work, we introduce a complete, end-to-end system that uses techniques from mechanistic interpretability to both identify and actively mitigate bias directly within a model's internal workings. Our method involves two primary stages. First, we train linear "probes" on the internal activations of a model to detect the latent representations of various biases (e.g., gender, race, age). Our experiments on gpt2-large demonstrate that these probes can identify biased content with near-perfect accuracy, revealing that bias representations become most salient in the model's later layers. Second, we leverage these findings to compute "steering vectors" by contrasting the model's activation patterns for biased and neutral statements. By adding these vectors during inference, we can actively steer the model's generative process away from producing harmful, stereotypical, or biased content in real-time. We demonstrate the efficacy of this activation steering technique, showing that it successfully alters biased completions toward more neutral alternatives. We present our work as a robust and reproducible system that offers a more direct and interpretable approach to building safer and more accountable LLMs.

Recently, there has been growing interest in collecting reasoning-intensive pretraining data to improve LLMs' complex reasoning ability. Prior approaches typically rely on supervised classifiers to identify such data, which requires labeling by humans or LLMs, often introducing domain-specific biases. Due to the attention heads being crucial to in-context reasoning, we propose AttentionInfluence, a simple yet effective, training-free method without supervision signal. Our approach enables a small pretrained language model to act as a strong data selector through a simple attention head masking operation. Specifically, we identify retrieval heads and compute the loss difference when masking these heads. We apply AttentionInfluence to a 1.3B-parameter dense model to conduct data selection on the SmolLM corpus of 241B tokens, and mix the SmolLM corpus with the selected subset comprising 73B tokens to pretrain a 7B-parameter dense model using 1T training tokens and WSD learning rate scheduling. Our experimental results demonstrate substantial improvements, ranging from 1.4pp to 3.5pp, across several knowledge-intensive and reasoning-heavy benchmarks (i.e., MMLU, MMLU-Pro, AGIEval-en, GSM8K, and HumanEval). This demonstrates an effective weak-to-strong scaling property, with small models improving the final performance of larger models-offering a promising and scalable path for reasoning-centric data selection.

Bias in Large Language Models (LLMs) significantly undermines their reliability and fairness. We focus on a common form of bias: when two reference concepts in the model's concept space, such as sentiment polarities (e.g., "positive" and "negative"), are asymmetrically correlated with a third, target concept, such as a reviewing aspect, the model exhibits unintended bias. For instance, the understanding of "food" should not skew toward any particular sentiment. Existing bias evaluation methods assess behavioral differences of LLMs by constructing labeled data for different social groups and measuring model responses across them, a process that requires substantial human effort and captures only a limited set of social concepts. To overcome these limitations, we propose BiasLens, a test-set-free bias analysis framework based on the structure of the model's vector space. BiasLens combines Concept Activation Vectors (CAVs) with Sparse Autoencoders (SAEs) to extract interpretable concept representations, and quantifies bias by measuring the variation in representational similarity between the target concept and each of the reference concepts. Even without labeled data, BiasLens shows strong agreement with traditional bias evaluation metrics (Spearman correlation r > 0.85). Moreover, BiasLens reveals forms of bias that are difficult to detect using existing methods. For example, in simulated clinical scenarios, a patient's insurance status can cause the LLM to produce biased diagnostic assessments. Overall, BiasLens offers a scalable, interpretable, and efficient paradigm for bias discovery, paving the way for improving fairness and transparency in LLMs.

The dominance of denoising generative models (e.g., diffusion, flow-matching) in visual synthesis is tempered by their substantial training costs and inefficiencies in representation learning. While injecting discriminative representations via auxiliary alignment has proven effective, this approach still faces key limitations: the reliance on external, pre-trained encoders introduces overhead and domain shift. A dispersed-based strategy that encourages strong separation among in-batch latent representations alleviates this specific dependency. To assess the effect of the number of negative samples in generative modeling, we propose {\mname}, a plug-and-play training framework that requires no external encoders. Our method integrates a memory bank mechanism that maintains a large, dynamically updated queue of negative samples across training iterations. This decouples the number of negatives from the mini-batch size, providing abundant and high-quality negatives for a contrastive objective without a multiplicative increase in computational cost. A low-dimensional projection head is used to further minimize memory and bandwidth overhead. {\mname} offers three principal advantages: (1) it is self-contained, eliminating dependency on pretrained vision foundation models and their associated forward-pass overhead; (2) it introduces no additional parameters or computational cost during inference; and (3) it enables substantially faster convergence, achieving superior generative quality more efficiently. On ImageNet-256, {\mname} achieves a state-of-the-art FID of 2.40 within 400k steps, significantly outperforming comparable methods.

Multi-site neuroimaging analysis is fundamentally confounded by scanner-induced covariate shifts, where the marginal distribution of voxel intensities P(x) varies non-linearly across acquisition protocols while the conditional anatomy P(y|x) remains constant. This is particularly detrimental to radiomic reproducibility, where acquisition variance often exceeds biological pathology variance. Existing statistical harmonization methods (e.g., ComBat) operate in feature space, precluding spatial downstream tasks, while standard deep learning approaches are theoretically bounded by local effective receptive fields (ERF), failing to model the global intensity correlations characteristic of field-strength bias. We propose SA-CycleGAN-2.5D, a domain adaptation framework motivated by the HΔH-divergence bound of Ben-David et al., integrating three architectural innovations: (1) A 2.5D tri-planar manifold injection preserving through-plane gradients nabla_z at O(HW) complexity; (2) A U-ResNet generator with dense voxel-to-voxel self-attention, surpassing the O(L) receptive field limit of CNNs to model global scanner field biases; and (3) A spectrally-normalized discriminator constraining the Lipschitz constant (K_D le 1) for stable adversarial optimization. Evaluated on 654 glioma patients across two institutional domains (BraTS and UPenn-GBM), our method reduces Maximum Mean Discrepancy (MMD) by 99.1% (1.729 to 0.015) and degrades domain classifier accuracy to near-chance (59.7%). Ablation confirms that global attention is statistically essential (Cohen's d = 1.32, p < 0.001) for the harder heterogeneous-to-homogeneous translation direction. By bridging 2D efficiency and 3D consistency, our framework yields voxel-level harmonized images that preserve tumor pathophysiology, enabling reproducible multi-center radiomic analysis.

Many machine learning algorithms are trained and evaluated by splitting data from a single source into training and test sets. While such focus on in-distribution learning scenarios has led to interesting advancement, it has not been able to tell if models are relying on dataset biases as shortcuts for successful prediction (e.g., using snow cues for recognising snowmobiles), resulting in biased models that fail to generalise when the bias shifts to a different class. The cross-bias generalisation problem has been addressed by de-biasing training data through augmentation or re-sampling, which are often prohibitive due to the data collection cost (e.g., collecting images of a snowmobile on a desert) and the difficulty of quantifying or expressing biases in the first place. In this work, we propose a novel framework to train a de-biased representation by encouraging it to be different from a set of representations that are biased by design. This tactic is feasible in many scenarios where it is much easier to define a set of biased representations than to define and quantify bias. We demonstrate the efficacy of our method across a variety of synthetic and real-world biases; our experiments show that the method discourages models from taking bias shortcuts, resulting in improved generalisation. Source code is available at https://github.com/clovaai/rebias.

Negative bias refers to the tendency of large language models (LLMs) to excessively generate negative responses in binary decision tasks (e.g., yes-no question answering). Previous research has focused on detecting and addressing negative attention heads that induce negative bias. However, the underlying detailed factors influencing negative bias remain underexplored. In this paper, we demonstrate that LLMs exhibit format-level negative bias, meaning the prompt format more influences their responses than the semantics of the negative response. For the fine-grained study of the negative bias, we introduce a pipeline for constructing the evaluation set, which systematically categorizes the dataset into three subsets based on the model's parametric knowledge: correct, incorrect, and insufficient relevant knowledge. Through analysis of this evaluation set, we identify a shortcut behavior in which models tend to generate negative responses when they lack sufficient knowledge to answer a yes-no question, leading to negative bias. We further examine how negative bias changes under various prompting scenarios related to parametric knowledge. We observe that providing relevant context and offering an "I don't know" option generally reduces negative bias, whereas chain-of-thought prompting tends to amplify the bias. Finally, we demonstrate that the degree of negative bias can vary depending on the type of prompt, which influences the direction of the response. Our work reveals the various factors that influence negative bias, providing critical insights for mitigating it in LLMs.

Recent advances in large language models (LLMs) have enhanced their ability to process long input contexts. This development is particularly crucial for tasks that involve retrieving knowledge from an external datastore, which can result in long inputs. However, recent studies show a positional bias in LLMs, demonstrating varying performance depending on the location of useful information within the input sequence. In this study, we conduct extensive experiments to investigate the root causes of positional bias. Our findings indicate that the primary contributor to LLM positional bias stems from the inherent positional preferences of different models. We demonstrate that merely employing prompt-based solutions is inadequate for overcoming the positional preferences. To address this positional bias issue of a pre-trained LLM, we developed a Position-Aware Parameter Efficient Fine-Tuning (PAPEFT) approach which is composed of a data augmentation technique and a parameter efficient adapter, enhancing a uniform attention distribution across the input context. Our experiments demonstrate that the proposed approach effectively reduces positional bias, improving LLMs' effectiveness in handling long context sequences for various tasks that require externally retrieved knowledge.

Interpreting the information encoded in model weights remains a fundamental challenge in mechanistic interpretability. In this work, we introduce ROTATE (Rotation-Optimized Token Alignment in weighT spacE), a data-free method requiring no forward passes that disentangles MLP neurons directly in weight space. Our approach relies on a key statistical observation: neurons that encode coherent, monosemantic concepts exhibit high kurtosis when projected onto the model's vocabulary. By optimizing rotations of neuron weights to maximize their vocabulary-space kurtosis, our method recovers sparse, interpretable directions which we name vocabulary channels. Experiments on Llama-3.1-8B-Instruct and Gemma-2-2B-it demonstrate that ROTATE consistently recovers vocabulary channels that are faithful to the neuron's behavior. ablating individual channels selectively disables corresponding input activations or the promotion of specific concepts. Moreover, aggregating channel-level descriptions yields comprehensive neuron descriptions that outperform optimized activation-based baselines by 2-3x in head-to-head comparisons. By providing a data-free decomposition of neuron weights, ROTATE offers a scalable, fine-grained building block for interpreting LMs.

Recent work has shown pre-trained language models capture social biases from the large amounts of text they are trained on. This has attracted attention to developing techniques that mitigate such biases. In this work, we perform an empirical survey of five recently proposed bias mitigation techniques: Counterfactual Data Augmentation (CDA), Dropout, Iterative Nullspace Projection, Self-Debias, and SentenceDebias. We quantify the effectiveness of each technique using three intrinsic bias benchmarks while also measuring the impact of these techniques on a model's language modeling ability, as well as its performance on downstream NLU tasks. We experimentally find that: (1) Self-Debias is the strongest debiasing technique, obtaining improved scores on all bias benchmarks; (2) Current debiasing techniques perform less consistently when mitigating non-gender biases; And (3) improvements on bias benchmarks such as StereoSet and CrowS-Pairs by using debiasing strategies are often accompanied by a decrease in language modeling ability, making it difficult to determine whether the bias mitigation was effective.

The purpose of this study is to present and compare three denoising diffusion probabilistic models (DDPMs) that generate 3D T_1-weighted MRI human brain images. Three DDPMs were trained using 80,675 image volumes from 42,406 subjects spanning 38 publicly available brain MRI datasets. These images had approximately 1 mm isotropic resolution and were manually inspected by three human experts to exclude those with poor quality, field-of-view issues, and excessive pathology. The images were minimally preprocessed to preserve the visual variability of the data. Furthermore, to enable the DDPMs to produce images with natural orientation variations and inhomogeneity, the images were neither registered to a common coordinate system nor bias field corrected. Evaluations included segmentation, Frechet Inception Distance (FID), and qualitative inspection. Regarding results, all three DDPMs generated coherent MR brain volumes. The velocity and flow prediction models achieved lower FIDs than the sample prediction model. However, all three models had higher FIDs compared to real images across multiple cohorts. In a permutation experiment, the generated brain regional volume distributions differed statistically from real data. However, the velocity and flow prediction models had fewer statistically different volume distributions in the thalamus and putamen. In conclusion this work presents and releases the first 3D non-latent diffusion model for brain data without skullstripping or registration. Despite the negative results in statistical testing, the presented DDPMs are capable of generating high-resolution 3D T_1-weighted brain images. All model weights and corresponding inference code are publicly available at https://github.com/piksl-research/medforj .

Deep neural networks (DNNs) trained for image denoising are able to generate high-quality samples with score-based reverse diffusion algorithms. These impressive capabilities seem to imply an escape from the curse of dimensionality, but recent reports of memorization of the training set raise the question of whether these networks are learning the "true" continuous density of the data. Here, we show that two DNNs trained on non-overlapping subsets of a dataset learn nearly the same score function, and thus the same density, when the number of training images is large enough. In this regime of strong generalization, diffusion-generated images are distinct from the training set, and are of high visual quality, suggesting that the inductive biases of the DNNs are well-aligned with the data density. We analyze the learned denoising functions and show that the inductive biases give rise to a shrinkage operation in a basis adapted to the underlying image. Examination of these bases reveals oscillating harmonic structures along contours and in homogeneous regions. We demonstrate that trained denoisers are inductively biased towards these geometry-adaptive harmonic bases since they arise not only when the network is trained on photographic images, but also when it is trained on image classes supported on low-dimensional manifolds for which the harmonic basis is suboptimal. Finally, we show that when trained on regular image classes for which the optimal basis is known to be geometry-adaptive and harmonic, the denoising performance of the networks is near-optimal.

Bias mitigation in image classification has been widely researched, and existing methods have yielded notable results. However, most of these methods implicitly assume that a given image contains only one type of known or unknown bias, failing to consider the complexities of real-world biases. We introduce a more challenging scenario, agnostic biases mitigation, aiming at bias removal regardless of whether the type of bias or the number of types is unknown in the datasets. To address this difficult task, we present the Partition-and-Debias (PnD) method that uses a mixture of biases-specific experts to implicitly divide the bias space into multiple subspaces and a gating module to find a consensus among experts to achieve debiased classification. Experiments on both public and constructed benchmarks demonstrated the efficacy of the PnD. Code is available at: https://github.com/Jiaxuan-Li/PnD.

We consider the classic supervised learning problem, where a continuous non-negative random label Y (i.e. a random duration) is to be predicted based upon observing a random vector X valued in R^d with dgeq 1 by means of a regression rule with minimum least square error. In various applications, ranging from industrial quality control to public health through credit risk analysis for instance, training observations can be right censored, meaning that, rather than on independent copies of (X,Y), statistical learning relies on a collection of ngeq 1 independent realizations of the triplet (X, ; min{Y,; C},; δ), where C is a nonnegative r.v. with unknown distribution, modeling censorship and δ=I{Yleq C} indicates whether the duration is right censored or not. As ignoring censorship in the risk computation may clearly lead to a severe underestimation of the target duration and jeopardize prediction, we propose to consider a plug-in estimate of the true risk based on a Kaplan-Meier estimator of the conditional survival function of the censorship C given X, referred to as Kaplan-Meier risk, in order to perform empirical risk minimization. It is established, under mild conditions, that the learning rate of minimizers of this biased/weighted empirical risk functional is of order O_{P}(log(n)/n) when ignoring model bias issues inherent to plug-in estimation, as can be attained in absence of censorship. Beyond theoretical results, numerical experiments are presented in order to illustrate the relevance of the approach developed.

"Induction heads" are attention heads that implement a simple algorithm to complete token sequences like [A][B] ... [A] -> [B]. In this work, we present preliminary and indirect evidence for a hypothesis that induction heads might constitute the mechanism for the majority of all "in-context learning" in large transformer models (i.e. decreasing loss at increasing token indices). We find that induction heads develop at precisely the same point as a sudden sharp increase in in-context learning ability, visible as a bump in the training loss. We present six complementary lines of evidence, arguing that induction heads may be the mechanistic source of general in-context learning in transformer models of any size. For small attention-only models, we present strong, causal evidence; for larger models with MLPs, we present correlational evidence.

Long-context large language models (LLMs) are prone to be distracted by irrelevant contexts. The reason for distraction remains poorly understood. In this paper, we first identify the contextual heads, a special group of attention heads that control the overall attention of the LLM. Then, we demonstrate that distraction arises when contextual heads fail to allocate sufficient attention to relevant contexts and can be mitigated by increasing attention to these contexts. We further identify focus directions, located at the key and query activations of these heads, which enable them to allocate more attention to relevant contexts without explicitly specifying which context is relevant. We comprehensively evaluate the effect of focus direction on various long-context tasks and find out focus directions could help to mitigate the poor task alignment of the long-context LLMs. We believe our findings could promote further research on long-context LLM alignment.

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

Recent advancements in Multimodal Large Language Models (MLLMs) have demonstrated impressive performance on standard visual reasoning benchmarks. However, there is growing concern that these models rely excessively on linguistic shortcuts rather than genuine visual grounding, a phenomenon we term Text Bias. In this paper, we investigate the fundamental tension between visual perception and linguistic priors. We decouple the sources of this bias into two dimensions: Internal Corpus Bias, stemming from statistical correlations in pretraining, and External Instruction Bias, arising from the alignment-induced tendency toward sycophancy. To quantify this effect, we introduce V-FAT (Visual Fidelity Against Text-bias), a diagnostic benchmark comprising 4,026 VQA instances across six semantic domains. V-FAT employs a Three-Level Evaluation Framework that systematically increases the conflict between visual evidence and textual information: (L1) internal bias from atypical images, (L2) external bias from misleading instructions, and (L3) synergistic bias where both coincide. We introduce the Visual Robustness Score (VRS), a metric designed to penalize "lucky" linguistic guesses and reward true visual fidelity. Our evaluation of 12 frontier MLLMs reveals that while models excel in existing benchmarks, they experience significant visual collapse under high linguistic dominance.

Denoising diffusion probabilistic models (DDPMs) employ a sequence of white Gaussian noise samples to generate an image. In analogy with GANs, those noise maps could be considered as the latent code associated with the generated image. However, this native noise space does not possess a convenient structure, and is thus challenging to work with in editing tasks. Here, we propose an alternative latent noise space for DDPM that enables a wide range of editing operations via simple means, and present an inversion method for extracting these edit-friendly noise maps for any given image (real or synthetically generated). As opposed to the native DDPM noise space, the edit-friendly noise maps do not have a standard normal distribution and are not statistically independent across timesteps. However, they allow perfect reconstruction of any desired image, and simple transformations on them translate into meaningful manipulations of the output image (e.g., shifting, color edits). Moreover, in text-conditional models, fixing those noise maps while changing the text prompt, modifies semantics while retaining structure. We illustrate how this property enables text-based editing of real images via the diverse DDPM sampling scheme (in contrast to the popular non-diverse DDIM inversion). We also show how it can be used within existing diffusion-based editing methods to improve their quality and diversity.

As LLMs are increasingly integrated into user-facing applications, addressing biases that perpetuate societal inequalities is crucial. While much work has gone into measuring or mitigating biases in these models, fewer studies have investigated their origins. Therefore, this study examines the correlation between gender-occupation bias in pre-training data and their manifestation in LLMs, focusing on the Dolma dataset and the OLMo model. Using zero-shot prompting and token co-occurrence analyses, we explore how biases in training data influence model outputs. Our findings reveal that biases present in pre-training data are amplified in model outputs. The study also examines the effects of prompt types, hyperparameters, and instruction-tuning on bias expression, finding instruction-tuning partially alleviating representational bias while still maintaining overall stereotypical gender associations, whereas hyperparameters and prompting variation have a lesser effect on bias expression. Our research traces bias throughout the LLM development pipeline and underscores the importance of mitigating bias at the pretraining stage.

Large language models (LLMs) often exhibit strong biases, e.g, against women or in favor of the number 7. We investigate whether LLMs would be able to output less biased answers when allowed to observe their prior answers to the same question in a multi-turn conversation. To understand which types of questions invite more biased answers, we test LLMs on our proposed set of questions that span 9 topics and belong to three types: (1) Subjective; (2) Random; and (3) Objective. Interestingly, LLMs are able to "de-bias" themselves in a multi-turn conversation in response to questions that seek an Random, unbiased answer. Furthermore, we propose B-score, a novel metric that is effective in detecting biases to Subjective, Random, Easy, and Hard questions. On MMLU, HLE, and CSQA, leveraging B-score substantially improves the verification accuracy of LLM answers (i.e, accepting LLM correct answers and rejecting incorrect ones) compared to using verbalized confidence scores or the frequency of single-turn answers alone. Code and data are available at: https://b-score.github.io.

A key challenge of modern machine learning systems is to achieve Out-of-Distribution (OOD) generalization -- generalizing to target data whose distribution differs from that of source data. Despite its significant importance, the fundamental question of ``what are the most effective algorithms for OOD generalization'' remains open even under the standard setting of covariate shift. This paper addresses this fundamental question by proving that, surprisingly, classical Maximum Likelihood Estimation (MLE) purely using source data (without any modification) achieves the minimax optimality for covariate shift under the well-specified setting. That is, no algorithm performs better than MLE in this setting (up to a constant factor), justifying MLE is all you need. Our result holds for a very rich class of parametric models, and does not require any boundedness condition on the density ratio. We illustrate the wide applicability of our framework by instantiating it to three concrete examples -- linear regression, logistic regression, and phase retrieval. This paper further complement the study by proving that, under the misspecified setting, MLE is no longer the optimal choice, whereas Maximum Weighted Likelihood Estimator (MWLE) emerges as minimax optimal in certain scenarios.

Diffusion models have demonstrated compelling generation quality by optimizing the variational lower bound through a simple denoising score matching loss. In this paper, we provide theoretical evidence that the prevailing practice of using a constant loss weight strategy in diffusion models leads to biased estimation during the training phase. Simply optimizing the denoising network to predict Gaussian noise with constant weighting may hinder precise estimations of original images. To address the issue, we propose an elegant and effective weighting strategy grounded in the theoretically unbiased principle. Moreover, we conduct a comprehensive and systematic exploration to dissect the inherent bias problem deriving from constant weighting loss from the perspectives of its existence, impact and reasons. These analyses are expected to advance our understanding and demystify the inner workings of diffusion models. Through empirical evaluation, we demonstrate that our proposed debiased estimation method significantly enhances sample quality without the reliance on complex techniques, and exhibits improved efficiency compared to the baseline method both in training and sampling processes.

Factored feature volumes offer a simple way to build more compact, efficient, and intepretable neural fields, but also introduce biases that are not necessarily beneficial for real-world data. In this work, we (1) characterize the undesirable biases that these architectures have for axis-aligned signals -- they can lead to radiance field reconstruction differences of as high as 2 PSNR -- and (2) explore how learning a set of canonicalizing transformations can improve representations by removing these biases. We prove in a two-dimensional model problem that simultaneously learning these transformations together with scene appearance succeeds with drastically improved efficiency. We validate the resulting architectures, which we call TILTED, using image, signed distance, and radiance field reconstruction tasks, where we observe improvements across quality, robustness, compactness, and runtime. Results demonstrate that TILTED can enable capabilities comparable to baselines that are 2x larger, while highlighting weaknesses of neural field evaluation procedures.

This paper considers the problem of undersampled MRI reconstruction. We propose a novel Transformer-based framework for directly processing signal in k-space, going beyond the limitation of regular grids as ConvNets do. We adopt an implicit representation of k-space spectrogram, treating spatial coordinates as inputs, and dynamically query the sparsely sampled points to reconstruct the spectrogram, i.e. learning the inductive bias in k-space. To strike a balance between computational cost and reconstruction quality, we build the decoder with hierarchical structure to generate low-resolution and high-resolution outputs respectively. To validate the effectiveness of our proposed method, we have conducted extensive experiments on two public datasets, and demonstrate superior or comparable performance to state-of-the-art approaches.

We study the class of location-scale or heteroscedastic noise models (LSNMs), in which the effect Y can be written as a function of the cause X and a noise source N independent of X, which may be scaled by a positive function g over the cause, i.e., Y = f(X) + g(X)N. Despite the generality of the model class, we show the causal direction is identifiable up to some pathological cases. To empirically validate these theoretical findings, we propose two estimators for LSNMs: an estimator based on (non-linear) feature maps, and one based on neural networks. Both model the conditional distribution of Y given X as a Gaussian parameterized by its natural parameters. When the feature maps are correctly specified, we prove that our estimator is jointly concave, and a consistent estimator for the cause-effect identification task. Although the the neural network does not inherit those guarantees, it can fit functions of arbitrary complexity, and reaches state-of-the-art performance across benchmarks.

This paper extends the classic theory of convex optimization to the minimization of functions that are equal to the negated logarithm of what we term as a sum-log-concave function, i.e., a sum of log-concave functions. In particular, we show that such functions are in general not convex but still satisfy generalized convexity inequalities. These inequalities unveil the key importance of a certain vector that we call the cross-gradient and that is, in general, distinct from the usual gradient. Thus, we propose the Cross Gradient Descent (XGD) algorithm moving in the opposite direction of the cross-gradient and derive a convergence analysis. As an application of our sum-log-concave framework, we introduce the so-called checkered regression method relying on a sum-log-concave function. This classifier extends (multiclass) logistic regression to non-linearly separable problems since it is capable of tessellating the feature space by using any given number of hyperplanes, creating a checkerboard-like pattern of decision regions.

The presence of distribution shifts poses a significant challenge for deploying modern machine learning models in real-world applications. This work focuses on the target shift problem in a regression setting (Zhang et al., 2013; Nguyen et al., 2016). More specifically, the target variable y (also known as the response variable), which is continuous, has different marginal distributions in the training source and testing domain, while the conditional distribution of features x given y remains the same. While most literature focuses on classification tasks with finite target space, the regression problem has an infinite dimensional target space, which makes many of the existing methods inapplicable. In this work, we show that the continuous target shift problem can be addressed by estimating the importance weight function from an ill-posed integral equation. We propose a nonparametric regularized approach named ReTaSA to solve the ill-posed integral equation and provide theoretical justification for the estimated importance weight function. The effectiveness of the proposed method has been demonstrated with extensive numerical studies on synthetic and real-world datasets.

LLM-as-a-Judge has emerged as a promising tool for automatically evaluating generated outputs, but its reliability is often undermined by potential biases in judgment. Existing efforts to mitigate these biases face key limitations: in-context learning-based methods fail to address rooted biases due to the evaluator's limited capacity for self-reflection, whereas fine-tuning is not applicable to all evaluator types, especially closed-source models. To address this challenge, we introduce the Reasoning-based Bias Detector (RBD), which is a plug-in module that identifies biased evaluations and generates structured reasoning to guide evaluator self-correction. Rather than modifying the evaluator itself, RBD operates externally and engages in an iterative process of bias detection and feedback-driven revision. To support its development, we design a complete pipeline consisting of biased dataset construction, supervision collection, distilled reasoning-based fine-tuning of RBD, and integration with LLM evaluators. We fine-tune four sizes of RBD models, ranging from 1.5B to 14B, and observe consistent performance improvements across all scales. Experimental results on 4 bias types--verbosity, position, bandwagon, and sentiment--evaluated using 8 LLM evaluators demonstrate RBD's strong effectiveness. For example, the RBD-8B model improves evaluation accuracy by an average of 18.5% and consistency by 10.9%, and surpasses prompting-based baselines and fine-tuned judges by 12.8% and 17.2%, respectively. These results highlight RBD's effectiveness and scalability. Additional experiments further demonstrate its strong generalization across biases and domains, as well as its efficiency.

Simplicity bias is the concerning tendency of deep networks to over-depend on simple, weakly predictive features, to the exclusion of stronger, more complex features. This is exacerbated in real-world applications by limited training data and spurious feature-label correlations, leading to biased, incorrect predictions. We propose a direct, interventional method for addressing simplicity bias in DNNs, which we call the feature sieve. We aim to automatically identify and suppress easily-computable spurious features in lower layers of the network, thereby allowing the higher network levels to extract and utilize richer, more meaningful representations. We provide concrete evidence of this differential suppression & enhancement of relevant features on both controlled datasets and real-world images, and report substantial gains on many real-world debiasing benchmarks (11.4% relative gain on Imagenet-A; 3.2% on BAR, etc). Crucially, we do not depend on prior knowledge of spurious attributes or features, and in fact outperform many baselines that explicitly incorporate such information. We believe that our feature sieve work opens up exciting new research directions in automated adversarial feature extraction and representation learning for deep networks.

Large Language Models (LLMs) often hallucinate, producing unfaithful or factually incorrect outputs by misrepresenting the provided context or incorrectly recalling internal knowledge. Recent studies have identified specific attention heads within the Transformer architecture, known as retrieval heads, responsible for extracting relevant contextual information. We hypothesise that masking these retrieval heads can induce hallucinations and that contrasting the outputs of the base LLM and the masked LLM can reduce hallucinations. To this end, we propose Decoding by Contrasting Retrieval Heads (DeCoRe), a novel training-free decoding strategy that amplifies information found in the context and model parameters. DeCoRe mitigates potentially hallucinated responses by dynamically contrasting the outputs of the base LLM and the masked LLM, using conditional entropy as a guide. Our extensive experiments confirm that DeCoRe significantly improves performance on tasks requiring high contextual faithfulness, such as summarisation (XSum by 18.6%), instruction following (MemoTrap by 10.9%), and open-book question answering (NQ-Open by 2.4% and NQ-Swap by 5.5%).

Vision language models (VLMs) have drastically changed the computer vision model landscape in only a few years, opening an exciting array of new applications from zero-shot image classification, over to image captioning, and visual question answering. Unlike pure vision models, they offer an intuitive way to access visual content through language prompting. The wide applicability of such models encourages us to ask whether they also align with human vision - specifically, how far they adopt human-induced visual biases through multimodal fusion, or whether they simply inherit biases from pure vision models. One important visual bias is the texture vs. shape bias, or the dominance of local over global information. In this paper, we study this bias in a wide range of popular VLMs. Interestingly, we find that VLMs are often more shape-biased than their vision encoders, indicating that visual biases are modulated to some extent through text in multimodal models. If text does indeed influence visual biases, this suggests that we may be able to steer visual biases not just through visual input but also through language: a hypothesis that we confirm through extensive experiments. For instance, we are able to steer shape bias from as low as 49% to as high as 72% through prompting alone. For now, the strong human bias towards shape (96%) remains out of reach for all tested VLMs.

Reinforcement Learning from Human Feedback (RLHF) has been a crucial component in the recent success of Large Language Models. However, RLHF is know to exploit biases in human preferences, such as verbosity. A well-formatted and eloquent answer is often more highly rated by users, even when it is less helpful and objective. A number of approaches have been developed to control those biases in the classical RLHF literature, but the problem remains relatively under-explored for Direct Alignment Algorithms such as Direct Preference Optimization (DPO). Unlike classical RLHF, DPO does not train a separate reward model or use reinforcement learning directly, so previous approaches developed to control verbosity cannot be directly applied to this setting. Our work makes several contributions. For the first time, we study the length problem in the DPO setting, showing significant exploitation in DPO and linking it to out-of-distribution bootstrapping. We then develop a principled but simple regularization strategy that prevents length exploitation, while still maintaining improvements in model quality. We demonstrate these effects across datasets on summarization and dialogue, where we achieve up to 20\% improvement in win rates when controlling for length, despite the GPT4 judge's well-known verbosity bias.

Large Language Models (LLMs) are widely used to evaluate natural language generation tasks as automated metrics. However, the likelihood, a measure of LLM's plausibility for a sentence, can vary due to superficial differences in sentences, such as word order and sentence structure. It is therefore possible that there might be a likelihood bias if LLMs are used for evaluation: they might overrate sentences with higher likelihoods while underrating those with lower likelihoods. In this paper, we investigate the presence and impact of likelihood bias in LLM-based evaluators. We also propose a method to mitigate the likelihood bias. Our method utilizes highly biased instances as few-shot examples for in-context learning. Our experiments in evaluating the data-to-text and grammatical error correction tasks reveal that several LLMs we test display a likelihood bias. Furthermore, our proposed method successfully mitigates this bias, also improving evaluation performance (in terms of correlation of models with human scores) significantly.

Face recognition systems are widely deployed in safety-critical applications, including law enforcement, yet they exhibit bias across a range of socio-demographic dimensions, such as gender and race. Conventional wisdom dictates that model biases arise from biased training data. As a consequence, previous works on bias mitigation largely focused on pre-processing the training data, adding penalties to prevent bias from effecting the model during training, or post-processing predictions to debias them, yet these approaches have shown limited success on hard problems such as face recognition. In our work, we discover that biases are actually inherent to neural network architectures themselves. Following this reframing, we conduct the first neural architecture search for fairness, jointly with a search for hyperparameters. Our search outputs a suite of models which Pareto-dominate all other high-performance architectures and existing bias mitigation methods in terms of accuracy and fairness, often by large margins, on the two most widely used datasets for face identification, CelebA and VGGFace2. Furthermore, these models generalize to other datasets and sensitive attributes. We release our code, models and raw data files at https://github.com/dooleys/FR-NAS.

Unsupervised learning of probabilistic models is a central yet challenging problem in machine learning. Specifically, designing models with tractable learning, sampling, inference and evaluation is crucial in solving this task. We extend the space of such models using real-valued non-volume preserving (real NVP) transformations, a set of powerful invertible and learnable transformations, resulting in an unsupervised learning algorithm with exact log-likelihood computation, exact sampling, exact inference of latent variables, and an interpretable latent space. We demonstrate its ability to model natural images on four datasets through sampling, log-likelihood evaluation and latent variable manipulations.

In contrastive learning, two views of an original image, generated by different augmentations, are considered a positive pair, and their similarity is required to be high. Similarly, two views of distinct images form a negative pair, with encouraged low similarity. Typically, a single similarity measure, provided by a lone projection head, evaluates positive and negative sample pairs. However, due to diverse augmentation strategies and varying intra-sample similarity, views from the same image may not always be similar. Additionally, owing to inter-sample similarity, views from different images may be more akin than those from the same image. Consequently, enforcing high similarity for positive pairs and low similarity for negative pairs may be unattainable, and in some cases, such enforcement could detrimentally impact performance. To address this challenge, we propose using multiple projection heads, each producing a distinct set of features. Our pre-training loss function emerges from a solution to the maximum likelihood estimation over head-wise posterior distributions of positive samples given observations. This loss incorporates the similarity measure over positive and negative pairs, each re-weighted by an individual adaptive temperature, regulated to prevent ill solutions. Our approach, Adaptive Multi-Head Contrastive Learning (AMCL), can be applied to and experimentally enhances several popular contrastive learning methods such as SimCLR, MoCo, and Barlow Twins. The improvement remains consistent across various backbones and linear probing epochs, and becomes more significant when employing multiple augmentation methods.

A prominent family of methods for learning data distributions relies on density ratio estimation (DRE), where a model is trained to classify between data samples and samples from some reference distribution. DRE-based models can directly output the likelihood for any given input, a highly desired property that is lacking in most generative techniques. Nevertheless, to date, DRE methods have failed in accurately capturing the distributions of complex high-dimensional data, like images, and have thus been drawing reduced research attention in recent years. In this work we present classification diffusion models (CDMs), a DRE-based generative method that adopts the formalism of denoising diffusion models (DDMs) while making use of a classifier that predicts the level of noise added to a clean signal. Our method is based on an analytical connection that we derive between the MSE-optimal denoiser for removing white Gaussian noise and the cross-entropy-optimal classifier for predicting the noise level. Our method is the first DRE-based technique that can successfully generate images beyond the MNIST dataset. Furthermore, it can output the likelihood of any input in a single forward pass, achieving state-of-the-art negative log likelihood (NLL) among methods with this property. Code is available on the project's webpage in https://shaharYadin.github.io/CDM/ .

Although large language models (LLMs) have demonstrated their effectiveness in a wide range of applications, they have also been observed to perpetuate unwanted biases present in the training data, potentially leading to harm for marginalized communities. In this paper, we mitigate bias by leveraging small biased and anti-biased expert models to obtain a debiasing signal that will be added to the LLM output at decoding-time. This approach combines resource efficiency with interpretability and can be optimized for mitigating specific types of bias, depending on the target use case. Experiments on mitigating gender, race, and religion biases show a reduction in bias on several local and global bias metrics while preserving language model performance.

There is a growing gap between the impressive results of deep image generative models and classical algorithms that offer theoretical guarantees. The former suffer from mode collapse or memorization issues, limiting their application to scientific data. The latter require restrictive assumptions such as log-concavity to escape the curse of dimensionality. We partially bridge this gap by introducing conditionally strongly log-concave (CSLC) models, which factorize the data distribution into a product of conditional probability distributions that are strongly log-concave. This factorization is obtained with orthogonal projectors adapted to the data distribution. It leads to efficient parameter estimation and sampling algorithms, with theoretical guarantees, although the data distribution is not globally log-concave. We show that several challenging multiscale processes are conditionally log-concave using wavelet packet orthogonal projectors. Numerical results are shown for physical fields such as the varphi^4 model and weak lensing convergence maps with higher resolution than in previous works.

In this paper we study how to effectively exploit implicit feedback in Dense Retrievers (DRs). We consider the specific case in which click data from a historic click log is available as implicit feedback. We then exploit such historic implicit interactions to improve the effectiveness of a DR. A key challenge that we study is the effect that biases in the click signal, such as position bias, have on the DRs. To overcome the problems associated with the presence of such bias, we propose the Counterfactual Rocchio (CoRocchio) algorithm for exploiting implicit feedback in Dense Retrievers. We demonstrate both theoretically and empirically that dense query representations learnt with CoRocchio are unbiased with respect to position bias and lead to higher retrieval effectiveness. We make available the implementations of the proposed methods and the experimental framework, along with all results at https://github.com/ielab/Counterfactual-DR.

Length extrapolation algorithms based on Rotary position embedding (RoPE) have shown promising results in extending the context length of language models. However, understanding how position embedding can capture longer-range contextual information remains elusive. Based on the intuition that different dimensions correspond to different frequency of changes in RoPE encoding, we conducted a dimension-level analysis to investigate the correlation between a hidden dimension of an attention head and its contribution to capturing long-distance dependencies. Using our correlation metric, we identified a particular type of attention heads, which we named Positional Heads, from various length-extrapolated models. These heads exhibit a strong focus on long-range information interaction and play a pivotal role in long input processing, as evidence by our ablation. We further demonstrate the correlation between the efficiency of length extrapolation and the extension of the high-dimensional attention allocation of these heads. The identification of Positional Heads provides insights for future research in long-text comprehension.

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from gradient-free methods nor the simplicity bias recently observed in untrained networks. This paper seeks other sources of generalization in NNs. Findings. To understand the inductive biases provided by architectures independently from GD, we examine untrained, random-weight networks. Even simple MLPs show strong inductive biases: uniform sampling in weight space yields a very biased distribution of functions in terms of complexity. But unlike common wisdom, NNs do not have an inherent "simplicity bias". This property depends on components such as ReLUs, residual connections, and layer normalizations. Alternative architectures can be built with a bias for any level of complexity. Transformers also inherit all these properties from their building blocks. Implications. We provide a fresh explanation for the success of deep learning independent from gradient-based training. It points at promising avenues for controlling the solutions implemented by trained models.

As language models (LMs) become increasingly powerful, it is important to quantify and compare them for sociodemographic bias with potential for harm. Prior bias measurement datasets are sensitive to perturbations in their manually designed templates, therefore unreliable. To achieve reliability, we introduce the Comprehensive Assessment of Language Model bias (CALM), a benchmark dataset to quantify bias in LMs across three tasks. We integrate 16 existing datasets across different domains, such as Wikipedia and news articles, to filter 224 templates from which we construct a dataset of 78,400 examples. We compare the diversity of CALM with prior datasets on metrics such as average semantic similarity, and variation in template length, and test the sensitivity to small perturbations. We show that our dataset is more diverse and reliable than previous datasets, thus better capture the breadth of linguistic variation required to reliably evaluate model bias. We evaluate 20 large language models including six prominent families of LMs such as Llama-2. In two LM series, OPT and Bloom, we found that larger parameter models are more biased than lower parameter models. We found the T0 series of models to be the least biased. Furthermore, we noticed a tradeoff between gender and racial bias with increasing model size in some model series. The code is available at https://github.com/vipulgupta1011/CALM.

Auditing unwanted social bias in language models (LMs) is inherently hard due to the multidisciplinary nature of the work. In addition, the rapid evolution of LMs can make benchmarks irrelevant in no time. Bias auditing is further complicated by LM brittleness: when a presumably biased outcome is observed, is it due to model bias or model brittleness? We propose enlisting the models themselves to help construct bias auditing datasets that remain challenging, and introduce bias measures that distinguish between types of model errors. First, we extend an existing bias benchmark for NLI (BBNLI) using a combination of LM-generated lexical variations, adversarial filtering, and human validation. We demonstrate that the newly created dataset (BBNLInext) is more challenging than BBNLI: on average, BBNLI-next reduces the accuracy of state-of-the-art NLI models from 95.3%, as observed by BBNLI, to 58.6%. Second, we employ BBNLI-next to showcase the interplay between robustness and bias, and the subtlety in differentiating between the two. Third, we point out shortcomings in current bias scores used in the literature and propose bias measures that take into account pro-/anti-stereotype bias and model brittleness. We will publicly release the BBNLI-next dataset to inspire research on rapidly expanding benchmarks to keep up with model evolution, along with research on the robustness-bias interplay in bias auditing. Note: This paper contains offensive text examples.

Large Language Models (LLMs) like GPT-4 and Gemini have significantly advanced artificial intelligence by enabling machines to generate and comprehend human-like text. Despite their impressive capabilities, LLMs are not immune to limitations, including various biases. While much research has explored demographic biases, the cognitive biases in LLMs have not been equally scrutinized. This study delves into anchoring bias, a cognitive bias where initial information disproportionately influences judgment. Utilizing an experimental dataset, we examine how anchoring bias manifests in LLMs and verify the effectiveness of various mitigation strategies. Our findings highlight the sensitivity of LLM responses to biased hints. At the same time, our experiments show that, to mitigate anchoring bias, one needs to collect hints from comprehensive angles to prevent the LLMs from being anchored to individual pieces of information, while simple algorithms such as Chain-of-Thought, Thoughts of Principles, Ignoring Anchor Hints, and Reflection are not sufficient.

Representations from transformer-based unidirectional language models are known to be effective at predicting brain responses to natural language. However, most studies comparing language models to brains have used GPT-2 or similarly sized language models. Here we tested whether larger open-source models such as those from the OPT and LLaMA families are better at predicting brain responses recorded using fMRI. Mirroring scaling results from other contexts, we found that brain prediction performance scales log-linearly with model size from 125M to 30B parameter models, with ~15% increased encoding performance as measured by correlation with a held-out test set across 3 subjects. Similar log-linear behavior was observed when scaling the size of the fMRI training set. We also characterized scaling for acoustic encoding models that use HuBERT, WavLM, and Whisper, and we found comparable improvements with model size. A noise ceiling analysis of these large, high-performance encoding models showed that performance is nearing the theoretical maximum for brain areas such as the precuneus and higher auditory cortex. These results suggest that increasing scale in both models and data will yield incredibly effective models of language processing in the brain, enabling better scientific understanding as well as applications such as decoding.

In most machine learning tasks, we evaluate a model M on a given data population S by measuring a population-level metric F(S;M). Examples of such evaluation metric F include precision/recall for (binary) recognition, the F1 score for multi-class classification, and the BLEU metric for language generation. On the other hand, the model M is trained by optimizing a sample-level loss G(S_t;M) at each learning step t, where S_t is a subset of S (a.k.a. the mini-batch). Popular choices of G include cross-entropy loss, the Dice loss, and sentence-level BLEU scores. A fundamental assumption behind this paradigm is that the mean value of the sample-level loss G, if averaged over all possible samples, should effectively represent the population-level metric F of the task, such as, that E[ G(S_t;M) ] approx F(S;M). In this paper, we systematically investigate the above assumption in several NLP tasks. We show, both theoretically and experimentally, that some popular designs of the sample-level loss G may be inconsistent with the true population-level metric F of the task, so that models trained to optimize the former can be substantially sub-optimal to the latter, a phenomenon we call it, Simpson's bias, due to its deep connections with the classic paradox known as Simpson's reversal paradox in statistics and social sciences.

Since its inception in "Attention Is All You Need", transformer architecture has led to revolutionary advancements in NLP. The attention layer within the transformer admits a sequence of input tokens X and makes them interact through pairwise similarities computed as softmax(XQK^top X^top), where (K,Q) are the trainable key-query parameters. In this work, we establish a formal equivalence between the optimization geometry of self-attention and a hard-margin SVM problem that separates optimal input tokens from non-optimal tokens using linear constraints on the outer-products of token pairs. This formalism allows us to characterize the implicit bias of 1-layer transformers optimized with gradient descent: (1) Optimizing the attention layer with vanishing regularization, parameterized by (K,Q), converges in direction to an SVM solution minimizing the nuclear norm of the combined parameter W=KQ^top. Instead, directly parameterizing by W minimizes a Frobenius norm objective. We characterize this convergence, highlighting that it can occur toward locally-optimal directions rather than global ones. (2) Complementing this, we prove the local/global directional convergence of gradient descent under suitable geometric conditions. Importantly, we show that over-parameterization catalyzes global convergence by ensuring the feasibility of the SVM problem and by guaranteeing a benign optimization landscape devoid of stationary points. (3) While our theory applies primarily to linear prediction heads, we propose a more general SVM equivalence that predicts the implicit bias with nonlinear heads. Our findings are applicable to arbitrary datasets and their validity is verified via experiments. We also introduce several open problems and research directions. We believe these findings inspire the interpretation of transformers as a hierarchy of SVMs that separates and selects optimal tokens.

Large language models (LLMs) are increasingly used as evaluators in lieu of humans. While scalable, their judgments are noisy due to imperfect specificity and sensitivity of LLMs, leading to biased accuracy estimates. Although bias-correction methods exist, they are underutilized in LLM research and typically assume exact knowledge of the model's specificity and sensitivity. Furthermore, in general we only have estimates of these values and it is not well known how to properly construct confidence intervals using only estimates. This work presents a simple plug-in framework that corrects such bias and constructs confidence intervals reflecting uncertainty from both test and calibration dataset, enabling practical and statistically sound LLM-based evaluation. Additionally, to reduce uncertainty in the accuracy estimate, we introduce an adaptive algorithm that efficiently allocates calibration sample sizes.

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

The initial state of neural networks plays a central role in conditioning the subsequent training dynamics. In the context of classification problems, we provide a theoretical analysis demonstrating that the structure of a neural network can condition the model to assign all predictions to the same class, even before the beginning of training, and in the absence of explicit biases. We show that the presence of this phenomenon, which we call "Initial Guessing Bias" (IGB), depends on architectural choices such as activation functions, max-pooling layers, and network depth. Our analysis of IGB has practical consequences, in that it guides architecture selection and initialization. We also highlight theoretical consequences, such as the breakdown of node-permutation symmetry, the violation of self-averaging, the validity of some mean-field approximations, and the non-trivial differences arising with depth.

Large Language Models (LLMs), such as the GPT-4 and LLaMA families, have demonstrated considerable success across diverse tasks, including multiple-choice questions (MCQs). However, these models exhibit a positional bias, particularly an even worse anchored bias in the GPT-2 family, where they consistently favour the first choice 'A' in MCQs during inference. This anchored bias challenges the integrity of GPT-2's decision-making process, as it skews performance based on the position rather than the content of the choices in MCQs. In this study, we utilise the mechanistic interpretability approach to identify the internal modules within GPT-2 models responsible for this bias. We focus on the Multi-Layer Perceptron (MLP) layers and attention heads, using the "logit lens" method to trace and modify the specific value vectors that contribute to the bias. By updating these vectors within MLP and recalibrating attention patterns to neutralise the preference for the first choice 'A', we effectively mitigate the anchored bias. Our interventions not only mitigate the bias but also improve the overall MCQ prediction accuracy for the GPT-2 family across various datasets. This work represents the first comprehensive mechanistic analysis of anchored bias in MCQs within the GPT-2 models, introducing targeted, minimal-intervention strategies that significantly enhance GPT2 model robustness and accuracy in MCQs. Our code is available at https://github.com/ruizheliUOA/Anchored_Bias_GPT2.

Diffusion models are generative models that have recently demonstrated impressive performances in terms of sampling quality and density estimation in high dimensions. They rely on a forward continuous diffusion process and a backward continuous denoising process, which can be described by a time-dependent vector field and is used as a generative model. In the original formulation of the diffusion model, this vector field is assumed to be the score function (i.e. it is the gradient of the log-probability at a given time in the diffusion process). Curiously, on the practical side, most studies on diffusion models implement this vector field as a neural network function and do not constrain it be the gradient of some energy function (that is, most studies do not constrain the vector field to be conservative). Even though some studies investigated empirically whether such a constraint will lead to a performance gain, they lead to contradicting results and failed to provide analytical results. Here, we provide three analytical results regarding the extent of the modeling freedom of this vector field. {Firstly, we propose a novel decomposition of vector fields into a conservative component and an orthogonal component which satisfies a given (gauge) freedom. Secondly, from this orthogonal decomposition, we show that exact density estimation and exact sampling is achieved when the conservative component is exactly equals to the true score and therefore conservativity is neither necessary nor sufficient to obtain exact density estimation and exact sampling. Finally, we show that when it comes to inferring local information of the data manifold, constraining the vector field to be conservative is desirable.

Large language models (LLMs) are increasingly applied to clinical decision-making. However, their potential to exhibit bias poses significant risks to clinical equity. Currently, there is a lack of benchmarks that systematically evaluate such clinical bias in LLMs. While in downstream tasks, some biases of LLMs can be avoided such as by instructing the model to answer "I'm not sure...", the internal bias hidden within the model still lacks deep studies. We introduce CLIMB (shorthand for A Benchmark of Clinical Bias in Large Language Models), a pioneering comprehensive benchmark to evaluate both intrinsic (within LLMs) and extrinsic (on downstream tasks) bias in LLMs for clinical decision tasks. Notably, for intrinsic bias, we introduce a novel metric, AssocMAD, to assess the disparities of LLMs across multiple demographic groups. Additionally, we leverage counterfactual intervention to evaluate extrinsic bias in a task of clinical diagnosis prediction. Our experiments across popular and medically adapted LLMs, particularly from the Mistral and LLaMA families, unveil prevalent behaviors with both intrinsic and extrinsic bias. This work underscores the critical need to mitigate clinical bias and sets a new standard for future evaluations of LLMs' clinical bias.

While chain-of-thought prompting (CoT) has the potential to improve the explainability of language model reasoning, it can systematically misrepresent the factors influencing models' behavior--for example, rationalizing answers in line with a user's opinion without mentioning this bias. To mitigate this biased reasoning problem, we introduce bias-augmented consistency training (BCT), an unsupervised fine-tuning scheme that trains models to give consistent reasoning across prompts with and without biasing features. We construct a suite testing nine forms of biased reasoning on seven question-answering tasks, and find that applying BCT to GPT-3.5-Turbo with one bias reduces the rate of biased reasoning by 86% on held-out tasks. Moreover, this model generalizes to other forms of bias, reducing biased reasoning on held-out biases by an average of 37%. As BCT generalizes to held-out biases and does not require gold labels, this method may hold promise for reducing biased reasoning from as-of-yet unknown biases and on tasks where supervision for ground truth reasoning is unavailable.

The performance of Large Language Models (LLMs) is significantly sensitive to the contextual position of information in the input. To investigate the mechanism behind this positional bias, our extensive experiments reveal a consistent phenomenon we term the attention basin: when presented with a sequence of structured items (e.g., retrieved documents or few-shot examples), models systematically assign higher attention to the items at the beginning and end of the sequence, while neglecting those in the middle. Crucially, our analysis further reveals that allocating higher attention to critical information is key to enhancing model performance. Based on these insights, we introduce Attention-Driven Reranking (AttnRank), a two-stage framework that (i) estimates a model's intrinsic positional attention preferences using a small calibration set, and (ii) reorders retrieved documents or few-shot examples to align the most salient content with these high-attention positions. AttnRank is a model-agnostic, training-free, and plug-and-play method with minimal computational overhead. Experiments on multi-hop QA and few-shot in-context learning tasks demonstrate that AttnRank achieves substantial improvements across 10 large language models of varying architectures and scales, without modifying model parameters or training procedures.

Despite significant advancements in Large Vision Language Models (LVLMs), a gap remains, particularly regarding their interpretability and how they locate and interpret textual information within images. In this paper, we explore various LVLMs to identify the specific heads responsible for recognizing text from images, which we term the Optical Character Recognition Head (OCR Head). Our findings regarding these heads are as follows: (1) Less Sparse: Unlike previous retrieval heads, a large number of heads are activated to extract textual information from images. (2) Qualitatively Distinct: OCR heads possess properties that differ significantly from general retrieval heads, exhibiting low similarity in their characteristics. (3) Statically Activated: The frequency of activation for these heads closely aligns with their OCR scores. We validate our findings in downstream tasks by applying Chain-of-Thought (CoT) to both OCR and conventional retrieval heads and by masking these heads. We also demonstrate that redistributing sink-token values within the OCR heads improves performance. These insights provide a deeper understanding of the internal mechanisms LVLMs employ in processing embedded textual information in images.

Large language models (LLMs) have achieved impressive performance in numerous domains but often struggle to process lengthy inputs effectively and efficiently due to limited length generalization and attention's quadratic computational demands. Many sought to mitigate this by restricting the attention window within the pre-trained length. However, these methods introduce new issues such as ignoring the middle context and requiring additional training. To address these problems, we propose LongHeads, a training-free framework that enhances LLM's long context ability by unlocking multi-head attention's untapped potential. Instead of allowing each head to attend to the full sentence, which struggles with generalizing to longer sequences due to out-of-distribution (OOD) issues, we allow each head to process in-distribution length by selecting and attending to important context chunks. To this end, we propose a chunk selection strategy that relies on the inherent correlation between the query and the key representations, efficiently distributing context chunks to different heads. In this way, each head ensures it can effectively process attended tokens within the trained length, while different heads in different layers can collectively process longer contexts. LongHeads works efficiently in linear time, fits seamlessly with many LLMs that use relative positional encoding. Our extensive empirical analyses verify LongHeads's efficacy in extending the usable context window for existing models, showcasing its promise for enhancing long text understanding.

Large language models (LLMs) offer an inexpensive yet powerful way to annotate text, but are often inconsistent when compared with experts. These errors can bias downstream estimates of population parameters such as regression coefficients and causal effects. To mitigate this bias, researchers have developed debiasing methods such as Design-based Supervised Learning (DSL) and Prediction-Powered Inference (PPI), which promise valid estimation by combining LLM annotations with a limited number of expensive expert annotations. Although these methods produce consistent estimates under theoretical assumptions, it is unknown how they compare in finite samples of sizes encountered in applied research. We make two contributions: First, we study how each method's performance scales with the number of expert annotations, highlighting regimes where LLM bias or limited expert labels significantly affect results. Second, we compare DSL and PPI across a range of tasks, finding that although both achieve low bias with large datasets, DSL often outperforms PPI on bias reduction and empirical efficiency, but its performance is less consistent across datasets. Our findings indicate that there is a bias-variance tradeoff at the level of debiasing methods, calling for more research on developing metrics for quantifying their efficiency in finite samples.

Deep neural networks (DNNs) often rely on easy-to-learn discriminatory features, or cues, that are not necessarily essential to the problem at hand. For example, ducks in an image may be recognized based on their typical background scenery, such as lakes or streams. This phenomenon, also known as shortcut learning, is emerging as a key limitation of the current generation of machine learning models. In this work, we introduce a set of experiments to deepen our understanding of shortcut learning and its implications. We design a training setup with several shortcut cues, named WCST-ML, where each cue is equally conducive to the visual recognition problem at hand. Even under equal opportunities, we observe that (1) certain cues are preferred to others, (2) solutions biased to the easy-to-learn cues tend to converge to relatively flat minima on the loss surface, and (3) the solutions focusing on those preferred cues are far more abundant in the parameter space. We explain the abundance of certain cues via their Kolmogorov (descriptional) complexity: solutions corresponding to Kolmogorov-simple cues are abundant in the parameter space and are thus preferred by DNNs. Our studies are based on the synthetic dataset DSprites and the face dataset UTKFace. In our WCST-ML, we observe that the inborn bias of models leans toward simple cues, such as color and ethnicity. Our findings emphasize the importance of active human intervention to remove the inborn model biases that may cause negative societal impacts.

Attention heads are one of the building blocks of large language models (LLMs). Prior work on investigating their operation mostly focused on analyzing their behavior during inference for specific circuits or tasks. In this work, we seek a comprehensive mapping of the operations they implement in a model. We propose MAPS (Mapping Attention head ParameterS), an efficient framework that infers the functionality of attention heads from their parameters, without any model training or inference. We showcase the utility of MAPS for answering two types of questions: (a) given a predefined operation, mapping how strongly heads across the model implement it, and (b) given an attention head, inferring its salient functionality. Evaluating MAPS on 20 operations across 6 popular LLMs shows its estimations correlate with the head's outputs during inference and are causally linked to the model's predictions. Moreover, its mappings reveal attention heads of certain operations that were overlooked in previous studies, and valuable insights on function universality and architecture biases in LLMs. Next, we present an automatic pipeline and analysis that leverage MAPS to characterize the salient operations of a given head. Our pipeline produces plausible operation descriptions for most heads, as assessed by human judgment, while revealing diverse operations.

In the realms of computer vision and natural language processing, Large Vision-Language Models (LVLMs) have become indispensable tools, proficient in generating textual descriptions based on visual inputs. Despite their advancements, our investigation reveals a noteworthy bias in the generated content, where the output is primarily influenced by the underlying Large Language Models (LLMs) prior rather than the input image. Our empirical experiments underscore the persistence of this bias, as LVLMs often provide confident answers even in the absence of relevant images or given incongruent visual input. To rectify these biases and redirect the model's focus toward vision information, we introduce two simple, training-free strategies. Firstly, for tasks such as classification or multi-choice question-answering (QA), we propose a ``calibration'' step through affine transformation to adjust the output distribution. This ``Post-Hoc debias'' approach ensures uniform scores for each answer when the image is absent, serving as an effective regularization technique to alleviate the influence of LLM priors. For more intricate open-ended generation tasks, we extend this method to ``Debias sampling'', drawing inspirations from contrastive decoding methods. Furthermore, our investigation sheds light on the instability of LVLMs across various decoding configurations. Through systematic exploration of different settings, we significantly enhance performance, surpassing reported results and raising concerns about the fairness of existing evaluations. Comprehensive experiments substantiate the effectiveness of our proposed strategies in mitigating biases. These strategies not only prove beneficial in minimizing hallucinations but also contribute to the generation of more helpful and precise illustrations.

The measure of a machine learning algorithm is the difficulty of the tasks it can perform, and sufficiently difficult tasks are critical drivers of strong machine learning models. However, quantifying the generalization difficulty of machine learning benchmarks has remained challenging. We propose what is to our knowledge the first model-agnostic measure of the inherent generalization difficulty of tasks. Our inductive bias complexity measure quantifies the total information required to generalize well on a task minus the information provided by the data. It does so by measuring the fractional volume occupied by hypotheses that generalize on a task given that they fit the training data. It scales exponentially with the intrinsic dimensionality of the space over which the model must generalize but only polynomially in resolution per dimension, showing that tasks which require generalizing over many dimensions are drastically more difficult than tasks involving more detail in fewer dimensions. Our measure can be applied to compute and compare supervised learning, reinforcement learning and meta-learning generalization difficulties against each other. We show that applied empirically, it formally quantifies intuitively expected trends, e.g. that in terms of required inductive bias, MNIST < CIFAR10 < Imagenet and fully observable Markov decision processes (MDPs) < partially observable MDPs. Further, we show that classification of complex images < few-shot meta-learning with simple images. Our measure provides a quantitative metric to guide the construction of more complex tasks requiring greater inductive bias, and thereby encourages the development of more sophisticated architectures and learning algorithms with more powerful generalization capabilities.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

As large language models (LLMs) are increasingly applied to various NLP tasks, their inherent biases are gradually disclosed. Therefore, measuring biases in LLMs is crucial to mitigate its ethical risks. However, most existing bias evaluation datasets focus on English and North American culture, and their bias categories are not fully applicable to other cultures. The datasets grounded in the Chinese language and culture are scarce. More importantly, these datasets usually only support single evaluation tasks and cannot evaluate the bias from multiple aspects in LLMs. To address these issues, we present a Multi-task Chinese Bias Evaluation Benchmark (McBE) that includes 4,077 bias evaluation instances, covering 12 single bias categories, 82 subcategories and introducing 5 evaluation tasks, providing extensive category coverage, content diversity, and measuring comprehensiveness. Additionally, we evaluate several popular LLMs from different series and with parameter sizes. In general, all these LLMs demonstrated varying degrees of bias. We conduct an in-depth analysis of results, offering novel insights into bias in LLMs.

Multimodal Large Language Models (MLLMs) are commonly derived by extending pre-trained Large Language Models (LLMs) with visual capabilities. In this work, we investigate how MLLMs process visual inputs by analyzing their attention mechanisms. We reveal a surprising sparsity phenomenon: only a small subset (approximately less than 5%) of attention heads in LLMs actively contribute to visual understanding, termed visual heads. To identify these heads efficiently, we design a training-free framework that quantifies head-level visual relevance through targeted response analysis. Building on this discovery, we introduce SparseMM, a KV-Cache optimization strategy that allocates asymmetric computation budgets to heads in LLMs based on their visual scores, leveraging the sparity of visual heads for accelerating the inference of MLLMs. Compared with prior KV-Cache acceleration methods that ignore the particularity of visual, SparseMM prioritizes stress and retaining visual semantics during decoding. Extensive evaluations across mainstream multimodal benchmarks demonstrate that SparseMM achieves superior accuracy-efficiency trade-offs. Notably, SparseMM delivers 1.38x real-time acceleration and 52% memory reduction during generation while maintaining performance parity on efficiency test. Our project is open sourced at https://github.com/CR400AF-A/SparseMM.

We study the task of agnostically learning halfspaces under the Gaussian distribution. Specifically, given labeled examples (x,y) from an unknown distribution on R^n times { pm 1}, whose marginal distribution on x is the standard Gaussian and the labels y can be arbitrary, the goal is to output a hypothesis with 0-1 loss OPT+epsilon, where OPT is the 0-1 loss of the best-fitting halfspace. We prove a near-optimal computational hardness result for this task, under the widely believed sub-exponential time hardness of the Learning with Errors (LWE) problem. Prior hardness results are either qualitatively suboptimal or apply to restricted families of algorithms. Our techniques extend to yield near-optimal lower bounds for related problems, including ReLU regression.

Recent advancements in Large Language Models (LLMs) have positioned them as powerful tools for clinical decision-making, with rapidly expanding applications in healthcare. However, concerns about bias remain a significant challenge in the clinical implementation of LLMs, particularly regarding gender and ethnicity. This research investigates the evaluation and mitigation of bias in LLMs applied to complex clinical cases, focusing on gender and ethnicity biases. We introduce a novel Counterfactual Patient Variations (CPV) dataset derived from the JAMA Clinical Challenge. Using this dataset, we built a framework for bias evaluation, employing both Multiple Choice Questions (MCQs) and corresponding explanations. We explore prompting with eight LLMs and fine-tuning as debiasing methods. Our findings reveal that addressing social biases in LLMs requires a multidimensional approach as mitigating gender bias can occur while introducing ethnicity biases, and that gender bias in LLM embeddings varies significantly across medical specialities. We demonstrate that evaluating both MCQ response and explanation processes is crucial, as correct responses can be based on biased reasoning. We provide a framework for evaluating LLM bias in real-world clinical cases, offer insights into the complex nature of bias in these models, and present strategies for bias mitigation.

A dangerous assumption that can be made from prior work on the bias transfer hypothesis (BTH) is that biases do not transfer from pre-trained large language models (LLMs) to adapted models. We invalidate this assumption by studying the BTH in causal models under prompt adaptations, as prompting is an extremely popular and accessible adaptation strategy used in real-world applications. In contrast to prior work, we find that biases can transfer through prompting and that popular prompt-based mitigation methods do not consistently prevent biases from transferring. Specifically, the correlation between intrinsic biases and those after prompt adaptation remain moderate to strong across demographics and tasks -- for example, gender (rho >= 0.94) in co-reference resolution, and age (rho >= 0.98) and religion (rho >= 0.69) in question answering. Further, we find that biases remain strongly correlated when varying few-shot composition parameters, such as sample size, stereotypical content, occupational distribution and representational balance (rho >= 0.90). We evaluate several prompt-based debiasing strategies and find that different approaches have distinct strengths, but none consistently reduce bias transfer across models, tasks or demographics. These results demonstrate that correcting bias, and potentially improving reasoning ability, in intrinsic models may prevent propagation of biases to downstream tasks.

Large language models (LLMs) have demonstrated impressive capabilities across a wide range of natural language processing tasks. However, their outputs often exhibit social biases, raising fairness concerns. Existing debiasing methods, such as fine-tuning on additional datasets or prompt engineering, face scalability issues or compromise user experience in multi-turn interactions. To address these challenges, we propose a framework for detecting stereotype-inducing words and attributing neuron-level bias in LLMs, without the need for fine-tuning or prompt modification. Our framework first identifies stereotype-inducing adjectives and nouns via comparative analysis across demographic groups. We then attribute biased behavior to specific neurons using two attribution strategies based on integrated gradients. Finally, we mitigate bias by directly intervening on their activations at the projection layer. Experiments on three widely used LLMs demonstrate that our method effectively reduces bias while preserving overall model performance. Code is available at the github link: https://github.com/XMUDeepLIT/Bi-directional-Bias-Attribution.

Previous studies have found that PLM-based retrieval models exhibit a preference for LLM-generated content, assigning higher relevance scores to these documents even when their semantic quality is comparable to human-written ones. This phenomenon, known as source bias, threatens the sustainable development of the information access ecosystem. However, the underlying causes of source bias remain unexplored. In this paper, we explain the process of information retrieval with a causal graph and discover that PLM-based retrievers learn perplexity features for relevance estimation, causing source bias by ranking the documents with low perplexity higher. Theoretical analysis further reveals that the phenomenon stems from the positive correlation between the gradients of the loss functions in language modeling task and retrieval task. Based on the analysis, a causal-inspired inference-time debiasing method is proposed, called Causal Diagnosis and Correction (CDC). CDC first diagnoses the bias effect of the perplexity and then separates the bias effect from the overall estimated relevance score. Experimental results across three domains demonstrate the superior debiasing effectiveness of CDC, emphasizing the validity of our proposed explanatory framework. Source codes are available at https://github.com/WhyDwelledOnAi/Perplexity-Trap.

Neural networks are often trained with empirical risk minimization; however, it has been shown that a shift between training and testing distributions can cause unpredictable performance degradation. On this issue, a research direction, invariant learning, has been proposed to extract invariant features insensitive to the distributional changes. This work proposes EDNIL, an invariant learning framework containing a multi-head neural network to absorb data biases. We show that this framework does not require prior knowledge about environments or strong assumptions about the pre-trained model. We also reveal that the proposed algorithm has theoretical connections to recent studies discussing properties of variant and invariant features. Finally, we demonstrate that models trained with EDNIL are empirically more robust against distributional shifts.

Despite the recent progress in long-context language models, it remains elusive how transformer-based models exhibit the capability to retrieve relevant information from arbitrary locations within the long context. This paper aims to address this question. Our systematic investigation across a wide spectrum of models reveals that a special type of attention heads are largely responsible for retrieving information, which we dub retrieval heads. We identify intriguing properties of retrieval heads:(1) universal: all the explored models with long-context capability have a set of retrieval heads; (2) sparse: only a small portion (less than 5\%) of the attention heads are retrieval. (3) intrinsic: retrieval heads already exist in models pretrained with short context. When extending the context length by continual pretraining, it is still the same set of heads that perform information retrieval. (4) dynamically activated: take Llama-2 7B for example, 12 retrieval heads always attend to the required information no matter how the context is changed. The rest of the retrieval heads are activated in different contexts. (5) causal: completely pruning retrieval heads leads to failure in retrieving relevant information and results in hallucination, while pruning random non-retrieval heads does not affect the model's retrieval ability. We further show that retrieval heads strongly influence chain-of-thought (CoT) reasoning, where the model needs to frequently refer back the question and previously-generated context. Conversely, tasks where the model directly generates the answer using its intrinsic knowledge are less impacted by masking out retrieval heads. These observations collectively explain which internal part of the model seeks information from the input tokens. We believe our insights will foster future research on reducing hallucination, improving reasoning, and compressing the KV cache.

We propose an approach to estimate the number of samples required for a model to reach a target performance. We find that the power law, the de facto principle to estimate model performance, leads to large error when using a small dataset (e.g., 5 samples per class) for extrapolation. This is because the log-performance error against the log-dataset size follows a nonlinear progression in the few-shot regime followed by a linear progression in the high-shot regime. We introduce a novel piecewise power law (PPL) that handles the two data regimes differently. To estimate the parameters of the PPL, we introduce a random forest regressor trained via meta learning that generalizes across classification/detection tasks, ResNet/ViT based architectures, and random/pre-trained initializations. The PPL improves the performance estimation on average by 37% across 16 classification and 33% across 10 detection datasets, compared to the power law. We further extend the PPL to provide a confidence bound and use it to limit the prediction horizon that reduces over-estimation of data by 76% on classification and 91% on detection datasets.

Large Language Models (LLMs) have become essential in many Natural Language Processing (NLP) tasks, leveraging extensive pre-training and fine-tuning to achieve high accuracy. However, like humans, LLMs exhibit biases, particularly positional biases such as primacy and recency effects, which can influence the accuracy of the answers. The primacy effect-where items presented first are more likely to be remembered or selected-plays a key role in Multiple Choice Question Answering (MCQA), where the order of answer options can affect prediction outcomes. This study focuses on primacy bias in fine-tuned LLMs: We first show that fine-tuning amplifies this bias, probably due to exposure to human-like patterns. Hence, we strategically leverage this effect by reordering response options based on semantic similarity to the query, without requiring knowledge of the correct answer. Our experimental results show that this approach significantly improves performance in MCQA. More generally, our findings underscore the dual nature of biases as both challenges and opportunities, offering insights for bias-aware model design and NLP applications.

Although achieving promising performance, recent analyses show that current generative large language models (LLMs) may still capture dataset biases and utilize them for generation, leading to poor generalizability and harmfulness of LLMs. However, due to the diversity of dataset biases and the over-optimization problem, previous prior-knowledge-based debiasing methods and fine-tuning-based debiasing methods may not be suitable for current LLMs. To address this issue, we explore combining active learning with the causal mechanisms and propose a casual-guided active learning (CAL) framework, which utilizes LLMs itself to automatically and autonomously identify informative biased samples and induce the bias patterns. Then a cost-effective and efficient in-context learning based method is employed to prevent LLMs from utilizing dataset biases during generation. Experimental results show that CAL can effectively recognize typical biased instances and induce various bias patterns for debiasing LLMs.

A binary decision task, like yes-no questions or answer verification, reflects a significant real-world scenario such as where users look for confirmation about the correctness of their decisions on specific issues. In this work, we observe that language models exhibit a negative bias in the binary decisions of complex reasoning tasks. Based on our observations and the rationale about attention-based model dynamics, we propose a negative attention score (NAS) to systematically and quantitatively formulate negative bias. Based on NAS, we identify attention heads that attend to negative tokens provided in the instructions as answer candidate of binary decisions, regardless of the question in the prompt, and validate their association with the negative bias. Additionally, we propose the negative attention score alignment (NASA) method, which is a parameter-efficient fine-tuning technique to address the extracted negatively biased attention heads. Experimental results from various domains of reasoning tasks and large model search space demonstrate that NASA significantly reduces the gap between precision and recall caused by negative bias while preserving their generalization abilities. Our codes are available at https://github.com/ysw1021/NASA.

Aligning general-purpose large language models (LLMs) to downstream tasks often incurs significant training adjustment costs. Prior research has explored various avenues to enhance alignment efficiency, primarily through minimal-data training or data-driven activations to identify key attention heads. However, these approaches inherently introduce data dependency, which hinders generalization and reusability. To address this issue and enhance model alignment efficiency, we propose the \textbf{Attention Localization and Pruning Strategy (ALPS)}, an efficient algorithm that localizes the most task-sensitive attention heads and prunes by restricting attention training updates to these heads, thereby reducing alignment costs. Experimental results demonstrate that our method activates only 10\% of attention parameters during fine-tuning while achieving a 2\% performance improvement over baselines on three tasks. Moreover, the identified task-specific heads are transferable across datasets and mitigate knowledge forgetting. Our work and findings provide a novel perspective on efficient LLM alignment. The code is available at https://github.com/VoiceBeer/ALPS.

We introduce the Information-Estimation Metric (IEM), a novel form of distance function derived from an underlying continuous probability density over a domain of signals. The IEM is rooted in a fundamental relationship between information theory and estimation theory, which links the log-probability of a signal with the errors of an optimal denoiser, applied to noisy observations of the signal. In particular, the IEM between a pair of signals is obtained by comparing their denoising error vectors over a range of noise amplitudes. Geometrically, this amounts to comparing the score vector fields of the blurred density around the signals over a range of blur levels. We prove that the IEM is a valid global distance metric and derive a closed-form expression for its local second-order approximation, which yields a Riemannian metric. For Gaussian-distributed signals, the IEM coincides with the Mahalanobis distance. But for more complex distributions, it adapts, both locally and globally, to the geometry of the distribution. In practice, the IEM can be computed using a learned denoiser (analogous to generative diffusion models) and solving a one-dimensional integral. To demonstrate the value of our framework, we learn an IEM on the ImageNet database. Experiments show that this IEM is competitive with or outperforms state-of-the-art supervised image quality metrics in predicting human perceptual judgments.

Multimodal Large Language Models (MLLMs) have emerged as a central focus in both industry and academia, but often suffer from biases introduced by visual and language priors, which can lead to multimodal hallucination. These biases arise from the visual encoder and the Large Language Model (LLM) backbone, affecting the attention mechanism responsible for aligning multimodal inputs. Existing decoding-based mitigation methods focus on statistical correlations and overlook the causal relationships between attention mechanisms and model output, limiting their effectiveness in addressing these biases. To tackle this issue, we propose a causal inference framework termed CausalMM that applies structural causal modeling to MLLMs, treating modality priors as a confounder between attention mechanisms and output. Specifically, by employing backdoor adjustment and counterfactual reasoning at both the visual and language attention levels, our method mitigates the negative effects of modality priors and enhances the alignment of MLLM's inputs and outputs, with a maximum score improvement of 65.3% on 6 VLind-Bench indicators and 164 points on MME Benchmark compared to conventional methods. Extensive experiments validate the effectiveness of our approach while being a plug-and-play solution. Our code is available at: https://github.com/The-Martyr/CausalMM

Advancements in Large Language Models (LLMs) have increased the performance of different natural language understanding as well as generation tasks. Although LLMs have breached the state-of-the-art performance in various tasks, they often reflect different forms of bias present in the training data. In the light of this perceived limitation, we provide a unified evaluation of benchmarks using a set of representative small and medium-sized LLMs that cover different forms of biases starting from physical characteristics to socio-economic categories. Moreover, we propose five prompting approaches to carry out the bias detection task across different aspects of bias. Further, we formulate three research questions to gain valuable insight in detecting biases in LLMs using different approaches and evaluation metrics across benchmarks. The results indicate that each of the selected LLMs suffer from one or the other form of bias with the Phi-3.5B model being the least biased. Finally, we conclude the paper with the identification of key challenges and possible future directions.

We study the probabilistic modeling performed by Autoregressive Large Language Models (LLMs) through the angle of time directionality, addressing a question first raised in (Shannon, 1951). For large enough models, we empirically find a time asymmetry in their ability to learn natural language: a difference in the average log-perplexity when trying to predict the next token versus when trying to predict the previous one. This difference is at the same time subtle and very consistent across various modalities (language, model size, training time, ...). Theoretically, this is surprising: from an information-theoretic point of view, there should be no such difference. We provide a theoretical framework to explain how such an asymmetry can appear from sparsity and computational complexity considerations, and outline a number of perspectives opened by our results.

Denoising Diffusion Probabilistic Models have shown an impressive generation quality, although their long sampling chain leads to high computational costs. In this paper, we observe that a long sampling chain also leads to an error accumulation phenomenon, which is similar to the exposure bias problem in autoregressive text generation. Specifically, we note that there is a discrepancy between training and testing, since the former is conditioned on the ground truth samples, while the latter is conditioned on the previously generated results. To alleviate this problem, we propose a very simple but effective training regularization, consisting in perturbing the ground truth samples to simulate the inference time prediction errors. We empirically show that, without affecting the recall and precision, the proposed input perturbation leads to a significant improvement in the sample quality while reducing both the training and the inference times. For instance, on CelebA 64times64, we achieve a new state-of-the-art FID score of 1.27, while saving 37.5% of the training time. The code is publicly available at https://github.com/forever208/DDPM-IP

Large Language Models (LLMs) have become pivotal in advancing natural language processing, yet their potential to perpetuate biases poses significant concerns. This paper introduces a new framework employing Direct Preference Optimization (DPO) to mitigate gender, racial, and religious biases in LLM-generated English text. By developing a loss function that favors less biased over biased completions, our approach cultivates a preference for respectful and non-discriminatory language in LLMs. We also contribute a manually designed dataset for training LLMs to recognize and correct biases. This dataset encompasses a diverse range of prompts paired with both biased and unbiased completions. Implementing this approach on the Microsoft Phi-2 model, we demonstrate substantial reductions in biased outputs as our model outperforms the baseline model on almost all bias benchmarks. Our model also achieves better performance compared to other open-source models on most benchmarks. By reducing biases in the language generated by the model, our study marks a significant step towards developing more ethical and socially responsible LLMs. We publicly release BiasDPO dataset on HuggingFace.

The robust generalization of models to rare, in-distribution (ID) samples drawn from the long tail of the training distribution and to out-of-training-distribution (OOD) samples is one of the major challenges of current deep learning methods. For image classification, this manifests in the existence of adversarial attacks, the performance drops on distorted images, and a lack of generalization to concepts such as sketches. The current understanding of generalization in neural networks is very limited, but some biases that differentiate models from human vision have been identified and might be causing these limitations. Consequently, several attempts with varying success have been made to reduce these biases during training to improve generalization. We take a step back and sanity-check these attempts. Fixing the architecture to the well-established ResNet-50, we perform a large-scale study on 48 ImageNet models obtained via different training methods to understand how and if these biases - including shape bias, spectral biases, and critical bands - interact with generalization. Our extensive study results reveal that contrary to previous findings, these biases are insufficient to accurately predict the generalization of a model holistically. We provide access to all checkpoints and evaluation code at https://github.com/paulgavrikov/biases_vs_generalization

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student t mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at https://github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE.

As Large Language Models (LLMs) are increasingly deployed to handle various natural language processing (NLP) tasks, concerns regarding the potential negative societal impacts of LLM-generated content have also arisen. To evaluate the biases exhibited by LLMs, researchers have recently proposed a variety of datasets. However, existing bias evaluation efforts often focus on only a particular type of bias and employ inconsistent evaluation metrics, leading to difficulties in comparison across different datasets and LLMs. To address these limitations, we collect a variety of datasets designed for the bias evaluation of LLMs, and further propose CEB, a Compositional Evaluation Benchmark that covers different types of bias across different social groups and tasks. The curation of CEB is based on our newly proposed compositional taxonomy, which characterizes each dataset from three dimensions: bias types, social groups, and tasks. By combining the three dimensions, we develop a comprehensive evaluation strategy for the bias in LLMs. Our experiments demonstrate that the levels of bias vary across these dimensions, thereby providing guidance for the development of specific bias mitigation methods.

Multi-Head Attention (MHA) is the core computational primitive underlying modern Large Language Models (LLMs). However, MHA suffers from a fundamental linear scaling limitation: H attention heads produce exactly H independent attention matrices, with no communication between heads during attention computation. This becomes problematic for multi-step reasoning, where correct answers depend on aggregating evidence from multiple parts of the context and composing latent token-to-token relations over a chain of intermediate inferences. To address this, we propose Interleaved Head Attention (IHA), which enables cross-head mixing by constructing P pseudo-heads per head (typically P=H), where each pseudo query/key/value is a learned linear combination of all H original queries, keys and values respectively. Interactions between pseudo-query and pseudo-key heads induce up to P^2 attention patterns per head with modest parameter overhead O(H^2P). We provide theory showing improved efficiency in terms of number of parameters on the synthetic Polynomial task (IHA uses Θ(kn^2) parameters vs. Θ(kn^2) for MHA) and on the synthetic order-sensitive CPM-3 task (IHA uses lceilN_{max}rceil heads vs. N_{max} for MHA). On real-world benchmarks, IHA improves Multi-Key retrieval on RULER by 10-20% (4k-16k) and, after fine-tuning for reasoning on OpenThoughts, improves GSM8K by 5.8% and MATH-500 by 2.8% (Majority Vote) over full attention.