Daily Papers

Supervised fine-tuning (SFT) is the standard approach for post-training large language models (LLMs), yet it often shows limited generalization. We trace this limitation to its default training objective: negative log likelihood (NLL). While NLL is classically optimal when training from scratch, post-training operates in a different paradigm and could violate its optimality assumptions, where models already encode task-relevant priors and supervision can be long and noisy. To this end, we study a general family of probability-based objectives and characterize their effectiveness under different conditions. Through comprehensive experiments and extensive ablation studies across 7 model backbones, 14 benchmarks, and 3 domains, we uncover a critical dimension that governs objective behavior: the model-capability continuum. Near the model-strong end, prior-leaning objectives that downweight low-probability tokens (e.g., -p, -p^{10}, thresholded variants) consistently outperform NLL; toward the model-weak end, NLL dominates; in between, no single objective prevails. Our theoretical analysis further elucidates how objectives trade places across the continuum, providing a principled foundation for adapting objectives to model capability. Our code is available at https://github.com/GaotangLi/Beyond-Log-Likelihood.

The 100 MW cryogenic liquid oxygen/hydrogen multi-injector combustor BKD operated by the DLR Institute of Space Propulsion is a research platform that allows the study of thermoacoustic instabilities under realistic conditions, representative of small upper stage rocket engines. We use data from BKD experimental campaigns in which the static chamber pressure and fuel-oxidizer ratio are varied such that the first tangential mode of the combustor is excited under some conditions. We train an autoregressive Bayesian neural network model to forecast the amplitude of the dynamic pressure time series, inputting multiple sensor measurements (injector pressure/ temperature measurements, static chamber pressure, high-frequency dynamic pressure measurements, high-frequency OH* chemiluminescence measurements) and future flow rate control signals. The Bayesian nature of our algorithms allows us to work with a dataset whose size is restricted by the expense of each experimental run, without making overconfident extrapolations. We find that the networks are able to accurately forecast the evolution of the pressure amplitude and anticipate instability events on unseen experimental runs 500 milliseconds in advance. We compare the predictive accuracy of multiple models using different combinations of sensor inputs. We find that the high-frequency dynamic pressure signal is particularly informative. We also use the technique of integrated gradients to interpret the influence of different sensor inputs on the model prediction. The negative log-likelihood of data points in the test dataset indicates that predictive uncertainties are well-characterized by our Bayesian model and simulating a sensor failure event results as expected in a dramatic increase in the epistemic component of the uncertainty.

This study evaluates deep neural networks for forecasting probability distributions of financial returns. 1D convolutional neural networks (CNN) and Long Short-Term Memory (LSTM) architectures are used to forecast parameters of three probability distributions: Normal, Student's t, and skewed Student's t. Using custom negative log-likelihood loss functions, distribution parameters are optimized directly. The models are tested on six major equity indices (S\&P 500, BOVESPA, DAX, WIG, Nikkei 225, and KOSPI) using probabilistic evaluation metrics including Log Predictive Score (LPS), Continuous Ranked Probability Score (CRPS), and Probability Integral Transform (PIT). Results show that deep learning models provide accurate distributional forecasts and perform competitively with classical GARCH models for Value-at-Risk estimation. The LSTM with skewed Student's t distribution performs best across multiple evaluation criteria, capturing both heavy tails and asymmetry in financial returns. This work shows that deep neural networks are viable alternatives to traditional econometric models for financial risk assessment and portfolio management.

We introduce a Three-Dimensional Convolutional Variational Autoencoder (3D-CVAE) for automated anomaly detection in Electron Energy Loss Spectroscopy Spectrum Imaging (EELS-SI) data. Our approach leverages the full three-dimensional structure of EELS-SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing negative log-likelihood loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect-free material. In exploring methods for anomaly detection, we evaluated both our 3D-CVAE approach and Principal Component Analysis (PCA), testing their performance using Fe L-edge peak shifts designed to simulate material defects. Our results show that 3D-CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between normal and anomalous spectra, enabling reliable classification. Further analysis verifies that lower dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise-dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS-SI data, particularly valuable for analyzing complex material systems.

Accurate uncertainty estimates are essential for deploying deep object detectors in safety-critical systems. The development and evaluation of probabilistic object detectors have been hindered by shortcomings in existing performance measures, which tend to involve arbitrary thresholds or limit the detector's choice of distributions. In this work, we propose to view object detection as a set prediction task where detectors predict the distribution over the set of objects. Using the negative log-likelihood for random finite sets, we present a proper scoring rule for evaluating and training probabilistic object detectors. The proposed method can be applied to existing probabilistic detectors, is free from thresholds, and enables fair comparison between architectures. Three different types of detectors are evaluated on the COCO dataset. Our results indicate that the training of existing detectors is optimized toward non-probabilistic metrics. We hope to encourage the development of new object detectors that can accurately estimate their own uncertainty. Code available at https://github.com/georghess/pmb-nll.

Given the prohibitive cost of pre-training large language models, it is essential to leverage smaller proxy models to optimize datasets before scaling up. However, this approach becomes challenging for reasoning capabilities, which exhibit emergent behavior that only appear reliably at larger model sizes, often exceeding 7B parameters. To address this, we introduce rBridge, showing that small proxies (leq1B) can effectively predict large-model reasoning by aligning more closely with (1) the pre-training objective and (2) the target task. rBridge achieves this by weighting negative log-likelihood with task alignment, using reasoning traces from frontier models as gold labels. In our experiments, rBridge (i) reduces dataset ranking costs by over 100x relative to the best baseline, (ii) achieves the strongest correlation across six reasoning benchmarks at 1B to 32B scale, and (iii) zero-shot transfers predictive relationships across pre-training datasets at 1B to 7B scale. These findings indicate that rBridge offers a practical path for exploring reasoning-oriented pre-training at lower cost.

3D head stylization transforms realistic facial features into artistic representations, enhancing user engagement across gaming and virtual reality applications. While 3D-aware generators have made significant advancements, many 3D stylization methods primarily provide near-frontal views and struggle to preserve the unique identities of original subjects, often resulting in outputs that lack diversity and individuality. This paper addresses these challenges by leveraging the PanoHead model, synthesizing images from a comprehensive 360-degree perspective. We propose a novel framework that employs negative log-likelihood distillation (LD) to enhance identity preservation and improve stylization quality. By integrating multi-view grid score and mirror gradients within the 3D GAN architecture and introducing a score rank weighing technique, our approach achieves substantial qualitative and quantitative improvements. Our findings not only advance the state of 3D head stylization but also provide valuable insights into effective distillation processes between diffusion models and GANs, focusing on the critical issue of identity preservation. Please visit the https://three-bee.github.io/head_stylization for more visuals.

Text generation models are notoriously vulnerable to errors in the training data. With the wide-spread availability of massive amounts of web-crawled data becoming more commonplace, how can we enhance the robustness of models trained on a massive amount of noisy web-crawled text? In our work, we propose Error Norm Truncation (ENT), a robust enhancement method to the standard training objective that truncates noisy data. Compared to methods that only uses the negative log-likelihood loss to estimate data quality, our method provides a more accurate estimation by considering the distribution of non-target tokens, which is often overlooked by previous work. Through comprehensive experiments across language modeling, machine translation, and text summarization, we show that equipping text generation models with ENT improves generation quality over standard training and previous soft and hard truncation methods. Furthermore, we show that our method improves the robustness of models against two of the most detrimental types of noise in machine translation, resulting in an increase of more than 2 BLEU points over the MLE baseline when up to 50% of noise is added to the data.

While 3D body reconstruction methods have made remarkable progress recently, it remains difficult to acquire the sufficiently accurate and numerous 3D supervisions required for training. In this paper, we propose KNOWN, a framework that effectively utilizes body KNOWledge and uNcertainty modeling to compensate for insufficient 3D supervisions. KNOWN exploits a comprehensive set of generic body constraints derived from well-established body knowledge. These generic constraints precisely and explicitly characterize the reconstruction plausibility and enable 3D reconstruction models to be trained without any 3D data. Moreover, existing methods typically use images from multiple datasets during training, which can result in data noise (e.g., inconsistent joint annotation) and data imbalance (e.g., minority images representing unusual poses or captured from challenging camera views). KNOWN solves these problems through a novel probabilistic framework that models both aleatoric and epistemic uncertainty. Aleatoric uncertainty is encoded in a robust Negative Log-Likelihood (NLL) training loss, while epistemic uncertainty is used to guide model refinement. Experiments demonstrate that KNOWN's body reconstruction outperforms prior weakly-supervised approaches, particularly on the challenging minority images.

We propose WHISPER-GPT: A generative large language model (LLM) for speech and music that allows us to work with continuous audio representations and discrete tokens simultaneously as part of a single architecture. There has been a huge surge in generative audio, speech, and music models that utilize discrete audio tokens derived from neural compression algorithms, e.g. ENCODEC. However, one of the major drawbacks of this approach is handling the context length. It blows up for high-fidelity generative architecture if one has to account for all the audio contents at various frequencies for the next token prediction. By combining continuous audio representation like the spectrogram and discrete acoustic tokens, we retain the best of both worlds: Have all the information needed from the audio at a specific time instance in a single token, yet allow LLM to predict the future token to allow for sampling and other benefits discrete space provides. We show how our architecture improves the perplexity and negative log-likelihood scores for the next token prediction compared to a token-based LLM for speech and music.

We introduce Information Condensing Active Learning (ICAL), a batch mode model agnostic Active Learning (AL) method targeted at Deep Bayesian Active Learning that focuses on acquiring labels for points which have as much information as possible about the still unacquired points. ICAL uses the Hilbert Schmidt Independence Criterion (HSIC) to measure the strength of the dependency between a candidate batch of points and the unlabeled set. We develop key optimizations that allow us to scale our method to large unlabeled sets. We show significant improvements in terms of model accuracy and negative log likelihood (NLL) on several image datasets compared to state of the art batch mode AL methods for deep learning.

Auto-regressive language models factorize sequence probabilities and are trained by minimizing the negative log-likelihood (NLL) objective. While empirically powerful, a deep theoretical understanding of why this simple objective yields such versatile representations remains elusive. This work introduces a unifying analytical framework using Markov Categories (MCs) to deconstruct the AR generation process and the NLL objective. We model the single-step generation map as a composition of Markov kernels in the category Stoch. This compositional view, when enriched with statistical divergences, allows us to dissect information flow and learned geometry. Our framework makes three main contributions. First, we provide a formal, information-theoretic rationale for the success of modern speculative decoding methods like EAGLE, quantifying the information surplus in hidden states that these methods exploit. Second, we formalize how NLL minimization forces the model to learn not just the next token, but the data's intrinsic conditional stochasticity, a process we analyze using categorical entropy. Third, and most centrally, we prove that NLL training acts as an implicit form of spectral contrastive learning. By analyzing the information geometry of the model's prediction head, we show that NLL implicitly forces the learned representation space to align with the eigenspectrum of a predictive similarity operator, thereby learning a geometrically structured space without explicit contrastive pairs. This compositional and information-geometric perspective reveals the deep structural principles underlying the effectiveness of modern LMs. Project Page: https://github.com/asiresearch/lm-theory

Iterative preference optimization methods have recently been shown to perform well for general instruction tuning tasks, but typically make little improvement on reasoning tasks (Yuan et al., 2024, Chen et al., 2024). In this work we develop an iterative approach that optimizes the preference between competing generated Chain-of-Thought (CoT) candidates by optimizing for winning vs. losing reasoning steps that lead to the correct answer. We train using a modified DPO loss (Rafailov et al., 2023) with an additional negative log-likelihood term, which we find to be crucial. We show reasoning improves across repeated iterations of this scheme. While only relying on examples in the training set, our approach results in increasing accuracy for Llama-2-70B-Chat from 55.6% to 81.6% on GSM8K (and 88.7% with majority voting out of 32 samples), from 12.5% to 20.8% on MATH, and from 77.8% to 86.7% on ARC-Challenge, which outperforms other Llama-2-based models not relying on additionally sourced datasets.

Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Since current LLMs generate text autoregressively through a stochastic process, the same prompt can lead to varying outputs. Consequently, leading uncertainty estimation methods generate and analyze multiple output sequences to determine the LLM's uncertainty. However, generating output sequences is computationally expensive, making these methods impractical at scale. In this work, we inspect the theoretical foundations of the leading methods and explore new directions to enhance their computational efficiency. Building on the framework of proper scoring rules, we find that the negative log-likelihood of the most likely output sequence constitutes a theoretically grounded uncertainty measure. To approximate this alternative measure, we propose G-NLL, which has the advantage of being obtained using only a single output sequence generated by greedy decoding. This makes uncertainty estimation more efficient and straightforward, while preserving theoretical rigor. Empirical results demonstrate that G-NLL achieves state-of-the-art performance across various LLMs and tasks. Our work lays the foundation for efficient and reliable uncertainty estimation in natural language generation, challenging the necessity of more computationally involved methods currently leading the field.

Survival risk stratification is an important step in clinical decision making for breast cancer management. We propose a novel deep learning approach for this purpose by integrating histopathological imaging, genetic and clinical data. It employs vision transformers, specifically the MaxViT model, for image feature extraction, and self-attention to capture intricate image relationships at the patient level. A dual cross-attention mechanism fuses these features with genetic data, while clinical data is incorporated at the final layer to enhance predictive accuracy. Experiments on the public TCGA-BRCA dataset show that our model, trained using the negative log likelihood loss function, can achieve superior performance with a mean C-index of 0.64, surpassing existing methods. This advancement facilitates tailored treatment strategies, potentially leading to improved patient outcomes.

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.

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

A major goal of unsupervised learning is to discover data representations that are useful for subsequent tasks, without access to supervised labels during training. Typically, this involves minimizing a surrogate objective, such as the negative log likelihood of a generative model, with the hope that representations useful for subsequent tasks will arise as a side effect. In this work, we propose instead to directly target later desired tasks by meta-learning an unsupervised learning rule which leads to representations useful for those tasks. Specifically, we target semi-supervised classification performance, and we meta-learn an algorithm -- an unsupervised weight update rule -- that produces representations useful for this task. Additionally, we constrain our unsupervised update rule to a be a biologically-motivated, neuron-local function, which enables it to generalize to different neural network architectures, datasets, and data modalities. We show that the meta-learned update rule produces useful features and sometimes outperforms existing unsupervised learning techniques. We further show that the meta-learned unsupervised update rule generalizes to train networks with different widths, depths, and nonlinearities. It also generalizes to train on data with randomly permuted input dimensions and even generalizes from image datasets to a text task.

In this paper, we establish a connection between the parameterization of flow-based and energy-based generative models, and present a new flow-based modeling approach called energy-based normalizing flow (EBFlow). We demonstrate that by optimizing EBFlow with score-matching objectives, the computation of Jacobian determinants for linear transformations can be entirely bypassed. This feature enables the use of arbitrary linear layers in the construction of flow-based models without increasing the computational time complexity of each training iteration from O(D^2L) to O(D^3L) for an L-layered model that accepts D-dimensional inputs. This makes the training of EBFlow more efficient than the commonly-adopted maximum likelihood training method. In addition to the reduction in runtime, we enhance the training stability and empirical performance of EBFlow through a number of techniques developed based on our analysis of the score-matching methods. The experimental results demonstrate that our approach achieves a significant speedup compared to maximum likelihood estimation while outperforming prior methods with a noticeable margin in terms of negative log-likelihood (NLL).

This paper presents a novel framework for aligning learnable latent spaces to arbitrary target distributions by leveraging flow-based generative models as priors. Our method first pretrains a flow model on the target features to capture the underlying distribution. This fixed flow model subsequently regularizes the latent space via an alignment loss, which reformulates the flow matching objective to treat the latents as optimization targets. We formally prove that minimizing this alignment loss establishes a computationally tractable surrogate objective for maximizing a variational lower bound on the log-likelihood of latents under the target distribution. Notably, the proposed method eliminates computationally expensive likelihood evaluations and avoids ODE solving during optimization. As a proof of concept, we demonstrate in a controlled setting that the alignment loss landscape closely approximates the negative log-likelihood of the target distribution. We further validate the effectiveness of our approach through large-scale image generation experiments on ImageNet with diverse target distributions, accompanied by detailed discussions and ablation studies. With both theoretical and empirical validation, our framework paves a new way for latent space alignment.

Chain-of-thought (CoT) reasoning greatly improves the interpretability and problem-solving abilities of multimodal large language models (MLLMs). However, existing approaches are focused on text CoT, limiting their ability to leverage visual cues. Visual CoT remains underexplored, and the only work is based on supervised fine-tuning (SFT) that relies on extensive labeled bounding-box data and is hard to generalize to unseen cases. In this paper, we introduce Unsupervised Visual CoT (UV-CoT), a novel framework for image-level CoT reasoning via preference optimization. UV-CoT performs preference comparisons between model-generated bounding boxes (one is preferred and the other is dis-preferred), eliminating the need for bounding-box annotations. We get such preference data by introducing an automatic data generation pipeline. Given an image, our target MLLM (e.g., LLaVA-1.5-7B) generates seed bounding boxes using a template prompt and then answers the question using each bounded region as input. An evaluator MLLM (e.g., OmniLLM-12B) ranks the responses, and these rankings serve as supervision to train the target MLLM with UV-CoT by minimizing negative log-likelihood losses. By emulating human perception--identifying key regions and reasoning based on them--UV-CoT can improve visual comprehension, particularly in spatial reasoning tasks where textual descriptions alone fall short. Our experiments on six datasets demonstrate the superiority of UV-CoT, compared to the state-of-the-art textual and visual CoT methods. Our zero-shot testing on four unseen datasets shows the strong generalization of UV-CoT. The code is available in https://github.com/kesenzhao/UV-CoT.

Recent advancements in large language models (LLMs) often rely on generating intermediate reasoning steps to enhance accuracy. However, little work has examined how reasoning utility contributes to the final answer's correctness. Due to the stochastic nature of autoregressive generation, generating more context does not guarantee increased confidence in the answer. If we could predict, during generation, whether a reasoning step will be useful, we could stop early or prune ineffective steps, avoiding distractions in the final decision. We present an oracle study on MATH dataset, using Qwen2.5-32B and GPT-4o to generate reasoning chains, and then employing a separate model (Qwen3-8B) to quantify the utility of these chains for final accuracy. Specifically, we measure the model's uncertainty on the answer span Y at each reasoning step using conditional entropy (expected negative log-likelihood over the vocabulary) with context expanding step by step. Our results show a clear pattern: conditional entropy that decreases over steps is strongly associated with correct answers, whereas flat or increasing entropy often results in wrong answers. We also corroborate that incorrect reasoning paths tend to be longer than correct ones, suggesting that longer reasoning does not necessarily yield better outcomes. These findings serve as a foundation to inspire future work on designing efficient reasoning pipelines that detect and avoid unproductive reasoning early.

Discrete diffusion models with absorbing processes have shown promise in language modeling. The key quantities to be estimated are the ratios between the marginal probabilities of two transitive states at all timesteps, called the concrete score. In this paper, we reveal that the concrete score in absorbing diffusion can be expressed as conditional probabilities of clean data, multiplied by a time-dependent scalar in an analytic form. Motivated by this finding, we propose reparameterized absorbing discrete diffusion (RADD), a dedicated diffusion model without time-condition that characterizes the time-independent conditional probabilities. Besides its simplicity, RADD can reduce the number of function evaluations (NFEs) by caching the output of the time-independent network when the noisy sample remains unchanged in a sampling interval. Empirically, RADD is up to 3.5 times faster while achieving similar performance with the strongest baseline. Built upon the new perspective of conditional distributions, we further unify absorbing discrete diffusion and any-order autoregressive models (AO-ARMs), showing that the upper bound on the negative log-likelihood for the diffusion model can be interpreted as an expected negative log-likelihood for AO-ARMs. Further, our RADD models achieve SOTA performance among diffusion models on 5 zero-shot language modeling benchmarks (measured by perplexity) at the GPT-2 scale. Our code is available at https://github.com/ML-GSAI/RADD.

Diffusion models have shown remarkable performance on many generative tasks. Despite recent success, most diffusion models are restricted in that they only allow linear transformation of the data distribution. In contrast, broader family of transformations can potentially help train generative distributions more efficiently, simplifying the reverse process and closing the gap between the true negative log-likelihood and the variational approximation. In this paper, we present Neural Diffusion Models (NDMs), a generalization of conventional diffusion models that enables defining and learning time-dependent non-linear transformations of data. We show how to optimise NDMs using a variational bound in a simulation-free setting. Moreover, we derive a time-continuous formulation of NDMs, which allows fast and reliable inference using off-the-shelf numerical ODE and SDE solvers. Finally, we demonstrate the utility of NDMs with learnable transformations through experiments on standard image generation benchmarks, including CIFAR-10, downsampled versions of ImageNet and CelebA-HQ. NDMs outperform conventional diffusion models in terms of likelihood and produce high-quality samples.

Large Language Models (LLMs) are increasingly deployed in mission-critical systems, facilitating tasks such as satellite operations, command-and-control, military decision support, and cyber defense. Many of these systems are accessed through application programming interfaces (APIs). When such APIs lack robust access controls, they can expose full or top-k logits, creating a significant and often overlooked attack surface. Prior art has mainly focused on reconstructing the output projection layer or distilling surface-level behaviors. However, regenerating a black-box model under tight query constraints remains underexplored. We address that gap by introducing a constrained replication pipeline that transforms partial logit leakage into a functional deployable substitute model clone. Our two-stage approach (i) reconstructs the output projection matrix by collecting top-k logits from under 10k black-box queries via singular value decomposition (SVD) over the logits, then (ii) distills the remaining architecture into compact student models with varying transformer depths, trained on an open source dataset. A 6-layer student recreates 97.6% of the 6-layer teacher model's hidden-state geometry, with only a 7.31% perplexity increase, and a 7.58 Negative Log-Likelihood (NLL). A 4-layer variant achieves 17.1% faster inference and 18.1% parameter reduction with comparable performance. The entire attack completes in under 24 graphics processing unit (GPU) hours and avoids triggering API rate-limit defenses. These results demonstrate how quickly a cost-limited adversary can clone an LLM, underscoring the urgent need for hardened inference APIs and secure on-premise defense deployments.

Efficient computation or approximation of Levenshtein distance, a widely-used metric for evaluating sequence similarity, has attracted significant attention with the emergence of DNA storage and other biological applications. Sequence embedding, which maps Levenshtein distance to a conventional distance between embedding vectors, has emerged as a promising solution. In this paper, a novel neural network-based sequence embedding technique using Poisson regression is proposed. We first provide a theoretical analysis of the impact of embedding dimension on model performance and present a criterion for selecting an appropriate embedding dimension. Under this embedding dimension, the Poisson regression is introduced by assuming the Levenshtein distance between sequences of fixed length following a Poisson distribution, which naturally aligns with the definition of Levenshtein distance. Moreover, from the perspective of the distribution of embedding distances, Poisson regression approximates the negative log likelihood of the chi-squared distribution and offers advancements in removing the skewness. Through comprehensive experiments on real DNA storage data, we demonstrate the superior performance of the proposed method compared to state-of-the-art approaches.

The field of multi-object tracking has recently seen a renewed interest in the good old schema of tracking-by-detection, as its simplicity and strong priors spare it from the complex design and painful babysitting of tracking-by-attention approaches. In view of this, we aim at extending tracking-by-detection to multi-modal settings, where a comprehensive cost has to be computed from heterogeneous information e.g., 2D motion cues, visual appearance, and pose estimates. More precisely, we follow a case study where a rough estimate of 3D information is also available and must be merged with other traditional metrics (e.g., the IoU). To achieve that, recent approaches resort to either simple rules or complex heuristics to balance the contribution of each cost. However, i) they require careful tuning of tailored hyperparameters on a hold-out set, and ii) they imply these costs to be independent, which does not hold in reality. We address these issues by building upon an elegant probabilistic formulation, which considers the cost of a candidate association as the negative log-likelihood yielded by a deep density estimator, trained to model the conditional joint probability distribution of correct associations. Our experiments, conducted on both simulated and real benchmarks, show that our approach consistently enhances the performance of several tracking-by-detection algorithms.

Recent end-to-end multi-object detectors simplify the inference pipeline by removing hand-crafted processes such as non-maximum suppression (NMS). However, during training, they still heavily rely on heuristics and hand-crafted processes which deteriorate the reliability of the predicted confidence score. In this paper, we propose a novel framework to train an end-to-end multi-object detector consisting of only two terms: negative log-likelihood (NLL) and a regularization term. In doing so, the multi-object detection problem is treated as density estimation of the ground truth bounding boxes utilizing a regularized mixture density model. The proposed end-to-end multi-object Detection with a Regularized Mixture Model (D-RMM) is trained by minimizing the NLL with the proposed regularization term, maximum component maximization (MCM) loss, preventing duplicate predictions. Our method reduces the heuristics of the training process and improves the reliability of the predicted confidence score. Moreover, our D-RMM outperforms the previous end-to-end detectors on MS COCO dataset.

Predictable behavior from scaling advanced AI systems is an extremely desirable property. Although a well-established literature exists on how pretraining performance scales, the literature on how particular downstream capabilities scale is significantly muddier. In this work, we take a step back and ask: why has predicting specific downstream capabilities with scale remained elusive? While many factors are certainly responsible, we identify a new factor that makes modeling scaling behavior on widely used multiple-choice question-answering benchmarks challenging. Using five model families and twelve well-established multiple-choice benchmarks, we show that downstream performance is computed from negative log likelihoods via a sequence of transformations that progressively degrade the statistical relationship between performance and scale. We then reveal the mechanism causing this degradation: downstream metrics require comparing the correct choice against a small number of specific incorrect choices, meaning accurately predicting downstream capabilities requires predicting not just how probability mass concentrates on the correct choice with scale, but also how probability mass fluctuates on specific incorrect choices with scale. We empirically study how probability mass on the correct choice co-varies with probability mass on incorrect choices with increasing compute, suggesting that scaling laws for incorrect choices might be achievable. Our work also explains why pretraining scaling laws are commonly regarded as more predictable than downstream capabilities and contributes towards establishing scaling-predictable evaluations of frontier AI models.

Conventional diffusion models typically relies on a fixed forward process, which implicitly defines complex marginal distributions over latent variables. This can often complicate the reverse process' task in learning generative trajectories, and results in costly inference for diffusion models. To address these limitations, we introduce Neural Flow Diffusion Models (NFDM), a novel framework that enhances diffusion models by supporting a broader range of forward processes beyond the fixed linear Gaussian. We also propose a novel parameterization technique for learning the forward process. Our framework provides an end-to-end, simulation-free optimization objective, effectively minimizing a variational upper bound on the negative log-likelihood. Experimental results demonstrate NFDM's strong performance, evidenced by state-of-the-art likelihood estimation. Furthermore, we investigate NFDM's capacity for learning generative dynamics with specific characteristics, such as deterministic straight lines trajectories. This exploration underscores NFDM's versatility and its potential for a wide range of applications.

Larger language models (LLMs) have taken the world by storm with their massive multi-tasking capabilities simply by optimizing over a next-word prediction objective. With the emergence of their properties and encoded knowledge, the risk of LLMs producing harmful outputs increases, making them unfit for scalable deployment for the public. In this work, we propose a new safety evaluation benchmark RED-EVAL that carries out red-teaming. We show that even widely deployed models are susceptible to the Chain of Utterances-based (CoU) prompting, jailbreaking closed source LLM-based systems such as GPT-4 and ChatGPT to unethically respond to more than 65% and 73% of harmful queries. We also demonstrate the consistency of the RED-EVAL across 8 open-source LLMs in generating harmful responses in more than 86% of the red-teaming attempts. Next, we propose RED-INSTRUCT--An approach for the safety alignment of LLMs. It constitutes two phases: 1) HARMFULQA data collection: Leveraging CoU prompting, we collect a dataset that consists of 1.9K harmful questions covering a wide range of topics, 9.5K safe and 7.3K harmful conversations from ChatGPT; 2) SAFE-ALIGN: We demonstrate how the conversational dataset can be used for the safety alignment of LLMs by minimizing the negative log-likelihood over helpful responses and penalizing over harmful responses by gradient accent over sample loss. Our model STARLING, a fine-tuned Vicuna-7B, is observed to be more safely aligned when evaluated on RED-EVAL and HHH benchmarks while preserving the utility of the baseline models (TruthfulQA, MMLU, and BBH).

The observations in many applications consist of counts of discrete events, such as photons hitting a detector, which cannot be effectively modeled using an additive bounded or Gaussian noise model, and instead require a Poisson noise model. As a result, accurate reconstruction of a spatially or temporally distributed phenomenon (f*) from Poisson data (y) cannot be effectively accomplished by minimizing a conventional penalized least-squares objective function. The problem addressed in this paper is the estimation of f* from y in an inverse problem setting, where (a) the number of unknowns may potentially be larger than the number of observations and (b) f* admits a sparse approximation. The optimization formulation considered in this paper uses a penalized negative Poisson log-likelihood objective function with nonnegativity constraints (since Poisson intensities are naturally nonnegative). In particular, the proposed approach incorporates key ideas of using separable quadratic approximations to the objective function at each iteration and penalization terms related to l1 norms of coefficient vectors, total variation seminorms, and partition-based multiscale estimation methods.

Text-to-image diffusion models have shown great success in generating high-quality text-guided images. Yet, these models may still fail to semantically align generated images with the provided text prompts, leading to problems like incorrect attribute binding and/or catastrophic object neglect. Given the pervasive object-oriented structure underlying text prompts, we introduce a novel object-conditioned Energy-Based Attention Map Alignment (EBAMA) method to address the aforementioned problems. We show that an object-centric attribute binding loss naturally emerges by approximately maximizing the log-likelihood of a z-parameterized energy-based model with the help of the negative sampling technique. We further propose an object-centric intensity regularizer to prevent excessive shifts of objects attention towards their attributes. Extensive qualitative and quantitative experiments, including human evaluation, on several challenging benchmarks demonstrate the superior performance of our method over previous strong counterparts. With better aligned attention maps, our approach shows great promise in further enhancing the text-controlled image editing ability of diffusion models.

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.

Sampling proper negatives from a large document pool is vital to effectively train a dense retrieval model. However, existing negative sampling strategies suffer from the uninformative or false negative problem. In this work, we empirically show that according to the measured relevance scores, the negatives ranked around the positives are generally more informative and less likely to be false negatives. Intuitively, these negatives are not too hard (may be false negatives) or too easy (uninformative). They are the ambiguous negatives and need more attention during training. Thus, we propose a simple ambiguous negatives sampling method, SimANS, which incorporates a new sampling probability distribution to sample more ambiguous negatives. Extensive experiments on four public and one industry datasets show the effectiveness of our approach. We made the code and models publicly available in https://github.com/microsoft/SimXNS.

PixelCNNs are a recently proposed class of powerful generative models with tractable likelihood. Here we discuss our implementation of PixelCNNs which we make available at https://github.com/openai/pixel-cnn. Our implementation contains a number of modifications to the original model that both simplify its structure and improve its performance. 1) We use a discretized logistic mixture likelihood on the pixels, rather than a 256-way softmax, which we find to speed up training. 2) We condition on whole pixels, rather than R/G/B sub-pixels, simplifying the model structure. 3) We use downsampling to efficiently capture structure at multiple resolutions. 4) We introduce additional short-cut connections to further speed up optimization. 5) We regularize the model using dropout. Finally, we present state-of-the-art log likelihood results on CIFAR-10 to demonstrate the usefulness of these modifications.

We study the problem of determining whether a piece of text has been authored by a human or by a large language model (LLM). Existing state of the art logits-based detectors make use of statistics derived from the log-probability of the observed text evaluated using the distribution function of a given source LLM. However, relying solely on log probabilities can be sub-optimal. In response, we introduce AdaDetectGPT -- a novel classifier that adaptively learns a witness function from training data to enhance the performance of logits-based detectors. We provide statistical guarantees on its true positive rate, false positive rate, true negative rate and false negative rate. Extensive numerical studies show AdaDetectGPT nearly uniformly improves the state-of-the-art method in various combination of datasets and LLMs, and the improvement can reach up to 58%. A python implementation of our method is available at https://github.com/Mamba413/AdaDetectGPT.

Negative binomial regression is essential for analyzing over-dispersed count data in in comparative studies, but parameter estimation becomes computationally challenging in large screens requiring millions of comparisons. We investigate using a pre-trained transformer to produce estimates of negative binomial regression parameters from observed count data, trained through synthetic data generation to learn to invert the process of generating counts from parameters. The transformer method achieved better parameter accuracy than maximum likelihood optimization while being 20 times faster. However, comparisons unexpectedly revealed that method of moment estimates performed as well as maximum likelihood optimization in accuracy, while being 1,000 times faster and producing better-calibrated and more powerful tests, making it the most efficient solution for this application.

Large language models (LLMs) undergo a three-phase training process: unsupervised pre-training, supervised fine-tuning (SFT), and learning from human feedback (RLHF/DPO). Notably, it is during the final phase that these models are exposed to negative examples -- incorrect, rejected, or suboptimal responses to queries. This paper delves into the role of negative examples in the training of LLMs, using a likelihood-ratio (Likra) model on multiple-choice question answering benchmarks to precisely manage the influence and the volume of negative examples. Our findings reveal three key insights: (1) During a critical phase in training, Likra with negative examples demonstrates a significantly larger improvement per training example compared to SFT using only positive examples. This leads to a sharp jump in the learning curve for Likra unlike the smooth and gradual improvement of SFT; (2) negative examples that are plausible but incorrect (near-misses) exert a greater influence; and (3) while training with positive examples fails to significantly decrease the likelihood of plausible but incorrect answers, training with negative examples more accurately identifies them. These results indicate a potentially significant role for negative examples in improving accuracy and reducing hallucinations for LLMs.

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.

Training effective dense retrieval models often relies on hard negative (HN) examples mined from the document corpus via methods like BM25 or cross-encoders (CE), processes that can be computationally demanding and require full corpus access. This paper introduces a different approach, an end-to-end pipeline where a Large Language Model (LLM) first generates a query from a passage, and then generates a hard negative example using only that query text. This corpus-free negative generation contrasts with standard mining techniques. We evaluated this LLM Query rightarrow LLM HN approach against traditional LLM Query rightarrow BM25 HN and LLM Query rightarrow CE HN pipelines using E5-Base and GTE-Base models on several BEIR benchmark datasets. Our results show the proposed all-LLM pipeline achieves performance identical to both the BM25 and the computationally intensive CE baselines across nDCG@10, Precision@10, and Recall@100 metrics. This demonstrates that our corpus-free negative generation method matches the effectiveness of complex, corpus-dependent mining techniques, offering a potentially simpler and more efficient pathway for training high-performance retrievers without sacrificing results. We make the dataset including the queries and the hard-negatives for all three methods publicly available https://huggingface.co/collections/chungimungi/arxiv-hard-negatives-68027bbc601ff6cc8eb1f449.

Recently, sequence-to-sequence (seq2seq) models with the Transformer architecture have achieved remarkable performance on various conditional text generation tasks, such as machine translation. However, most of them are trained with teacher forcing with the ground truth label given at each time step, without being exposed to incorrectly generated tokens during training, which hurts its generalization to unseen inputs, that is known as the "exposure bias" problem. In this work, we propose to mitigate the conditional text generation problem by contrasting positive pairs with negative pairs, such that the model is exposed to various valid or incorrect perturbations of the inputs, for improved generalization. However, training the model with naive contrastive learning framework using random non-target sequences as negative examples is suboptimal, since they are easily distinguishable from the correct output, especially so with models pretrained with large text corpora. Also, generating positive examples requires domain-specific augmentation heuristics which may not generalize over diverse domains. To tackle this problem, we propose a principled method to generate positive and negative samples for contrastive learning of seq2seq models. Specifically, we generate negative examples by adding small perturbations to the input sequence to minimize its conditional likelihood, and positive examples by adding large perturbations while enforcing it to have a high conditional likelihood. Such "hard" positive and negative pairs generated using our method guides the model to better distinguish correct outputs from incorrect ones. We empirically show that our proposed method significantly improves the generalization of the seq2seq on three text generation tasks - machine translation, text summarization, and question generation.

The quality of many modern machine learning models improves as model complexity increases, an effect that has been quantified, for predictive performance, with the non-monotonic double descent learning curve. Here, we address the overarching question: is there an analogous theory of double descent for models which estimate uncertainty? We provide a partially affirmative and partially negative answer in the setting of Gaussian processes (GP). Under standard assumptions, we prove that higher model quality for optimally-tuned GPs (including uncertainty prediction) under marginal likelihood is realized for larger input dimensions, and therefore exhibits a monotone error curve. After showing that marginal likelihood does not naturally exhibit double descent in the input dimension, we highlight related forms of posterior predictive loss that do exhibit non-monotonicity. Finally, we verify empirically that our results hold for real data, beyond our considered assumptions, and we explore consequences involving synthetic covariates.

For a parametric model of distributions, the closest distribution in the model to the true distribution located outside the model is considered. Measuring the closeness between two distributions with the Kullback-Leibler (K-L) divergence, the closest distribution is called the "information projection." The estimation risk of the maximum likelihood estimator (MLE) is defined as the expectation of K-L divergence between the information projection and the predictive distribution with plugged-in MLE. Here, the asymptotic expansion of the risk is derived up to n^{-2}-order, and the sufficient condition on the risk for the Bayes error rate between the true distribution and the information projection to be lower than a specified value is investigated. Combining these results, the "p-n criterion" is proposed, which determines whether the MLE is sufficiently close to the information projection for the given model and sample. In particular, the criterion for an exponential family model is relatively simple and can be used for a complex model with no explicit form of normalizing constant. This criterion can constitute a solution to the sample size or model acceptance problem. Use of the p-n criteria is demonstrated for two practical datasets. The relationship between the results and information criteria is also studied.

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.

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.

We investigate statistical properties of a likelihood approach to nonparametric estimation of a singular distribution using deep generative models. More specifically, a deep generative model is used to model high-dimensional data that are assumed to concentrate around some low-dimensional structure. Estimating the distribution supported on this low-dimensional structure, such as a low-dimensional manifold, is challenging due to its singularity with respect to the Lebesgue measure in the ambient space. In the considered model, a usual likelihood approach can fail to estimate the target distribution consistently due to the singularity. We prove that a novel and effective solution exists by perturbing the data with an instance noise, which leads to consistent estimation of the underlying distribution with desirable convergence rates. We also characterize the class of distributions that can be efficiently estimated via deep generative models. This class is sufficiently general to contain various structured distributions such as product distributions, classically smooth distributions and distributions supported on a low-dimensional manifold. Our analysis provides some insights on how deep generative models can avoid the curse of dimensionality for nonparametric distribution estimation. We conduct a thorough simulation study and real data analysis to empirically demonstrate that the proposed data perturbation technique improves the estimation performance significantly.

In dense retrieval, effective training hinges on selecting high quality hard negatives while avoiding false negatives. Recent methods apply heuristics based on positive document scores to identify hard negatives, improving both performance and interpretability. However, these global, example agnostic strategies often miss instance specific false negatives. To address this, we propose a learnable adapter module that monitors Bi-Encoder representations to estimate the likelihood that a hard negative is actually a false negative. This probability is modeled dynamically and contextually, enabling fine-grained, query specific judgments. The predicted scores are used in two downstream components: (1) resampling, where negatives are reweighted during training, and (2) reranking, where top-k retrieved documents are reordered at inference. Empirical results on standard benchmarks show that our adapter-enhanced framework consistently outperforms strong Bi-Encoder baselines, underscoring the benefit of explicit false negative modeling in dense retrieval.

This paper addresses a regression problem in which output label values are the results of sensing the magnitude of a phenomenon. A low value of such labels can mean either that the actual magnitude of the phenomenon was low or that the sensor made an incomplete observation. This leads to a bias toward lower values in labels and the resultant learning because labels may have lower values due to incomplete observations, even if the actual magnitude of the phenomenon was high. Moreover, because an incomplete observation does not provide any tags indicating incompleteness, we cannot eliminate or impute them. To address this issue, we propose a learning algorithm that explicitly models incomplete observations corrupted with an asymmetric noise that always has a negative value. We show that our algorithm is unbiased as if it were learned from uncorrupted data that does not involve incomplete observations. We demonstrate the advantages of our algorithm through numerical experiments.

Recent research has generated hope that inference scaling could allow weaker language models to match or exceed the accuracy of stronger models, such as by repeatedly sampling solutions to a coding problem until it passes unit tests. The central thesis of this paper is that there is no free lunch for inference scaling: indefinite accuracy improvement through resampling can only be realized if the "verifier" (in this case, a set of unit tests) is perfect. When the verifier is imperfect, as it almost always is in domains such as reasoning or coding (for example, unit tests have imperfect coverage), there is a nonzero probability of false positives: incorrect solutions that pass the verifier. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling even with an infinite compute budget. We find that there is a very strong correlation between the model's single-sample accuracy (i.e. accuracy without unit tests) and its false positive rate on coding benchmarks HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model (Fig. 1a). When we consider that false positives have a negative utility compared to abstaining from producing a solution, it bends the inference scaling curve further downward. Empirically, we find that the optimal number of samples can be less than 10 under realistic assumptions (Fig. 1b). Finally, we show that beyond accuracy, false positives may have other undesirable qualities, such as poor adherence to coding style conventions.

The overarching objective of this paper is two-fold. First, to explore model-based approaches to characterize the primary cause of the noise. in the RE dataset TACRED Second, to identify the potentially noisy instances. Towards the first objective, we analyze predictions and performance of state-of-the-art (SOTA) models to identify the root cause of noise in the dataset. Our analysis of TACRED shows that the majority of the noise in the dataset originates from the instances labeled as no-relation which are negative examples. For the second objective, we explore two nearest-neighbor-based strategies to automatically identify potentially noisy examples for elimination and reannotation. Our first strategy, referred to as Intrinsic Strategy (IS), is based on the assumption that positive examples are clean. Thus, we have used false-negative predictions to identify noisy negative examples. Whereas, our second approach, referred to as Extrinsic Strategy, is based on using a clean subset of the dataset to identify potentially noisy negative examples. Finally, we retrained the SOTA models on the eliminated and reannotated dataset. Our empirical results based on two SOTA models trained on TACRED-E following the IS show an average 4% F1-score improvement, whereas reannotation (TACRED-R) does not improve the original results. However, following ES, SOTA models show the average F1-score improvement of 3.8% and 4.4% when trained on respective eliminated (TACRED-EN) and reannotated (TACRED-RN) datasets respectively. We further extended the ES for cleaning positive examples as well, which resulted in an average performance improvement of 5.8% and 5.6% for the eliminated (TACRED-ENP) and reannotated (TACRED-RNP) datasets respectively.

We consider the problem of conformal prediction under covariate shift. Given labeled data from a source domain and unlabeled data from a covariate shifted target domain, we seek to construct prediction sets with valid marginal coverage in the target domain. Most existing methods require estimating the unknown likelihood ratio function, which can be prohibitive for high-dimensional data such as images. To address this challenge, we introduce the likelihood ratio regularized quantile regression (LR-QR) algorithm, which combines the pinball loss with a novel choice of regularization in order to construct a threshold function without directly estimating the unknown likelihood ratio. We show that the LR-QR method has coverage at the desired level in the target domain, up to a small error term that we can control. Our proofs draw on a novel analysis of coverage via stability bounds from learning theory. Our experiments demonstrate that the LR-QR algorithm outperforms existing methods on high-dimensional prediction tasks, including a regression task for the Communities and Crime dataset, an image classification task from the WILDS repository, and an LLM question-answering task on the MMLU benchmark.

Large language models (LLMs) are becoming increasingly important for machine learning applications. However, it can be challenging to align LLMs with our intent, particularly when we want to generate content that is preferable over others or when we want the LLM to respond in a certain style or tone that is hard to describe. To address this challenge, we propose an approach that uses contrastive examples to better describe our intent. This involves providing positive examples that illustrate the true intent, along with negative examples that show what characteristics we want LLMs to avoid. The negative examples can be retrieved from labeled data, written by a human, or generated by the LLM itself. Before generating an answer, we ask the model to analyze the examples to teach itself what to avoid. This reasoning step provides the model with the appropriate articulation of the user's need and guides it towards generting a better answer. We tested our approach on both synthesized and real-world datasets, including StackExchange and Reddit, and found that it significantly improves performance compared to standard few-shot prompting

Recent advances in reasoning language models have witnessed a paradigm shift from short to long CoT pattern. Given the substantial computational cost of rollouts in long CoT models, maximizing the utility of fixed training datasets becomes crucial. Our analysis reveals that negative responses contain valuable components such as self-reflection and error-correction steps, yet primary existing methods either completely discard negative samples (RFT) or apply equal penalization across all tokens (RL), failing to leverage these potential learning signals. In light of this, we propose Behavior Constrained Policy Gradient with Negative Sample Augmentation (BCPG-NSA), a fine-grained offline RL framework that encompasses three stages: 1) sample segmentation, 2) consensus-based step correctness assessment combining LLM and PRM judgers, and 3) policy optimization with NSA designed to effectively mine positive steps within negative samples. Experimental results show that BCPG-NSA outperforms baselines on several challenging math/coding reasoning benchmarks using the same training dataset, achieving improved sample efficiency and demonstrating robustness and scalability when extended to multiple iterations.

Neural ranking models (NRMs) have become one of the most important techniques in information retrieval (IR). Due to the limitation of relevance labels, the training of NRMs heavily relies on negative sampling over unlabeled data. In general machine learning scenarios, it has shown that training with hard negatives (i.e., samples that are close to positives) could lead to better performance. Surprisingly, we find opposite results from our empirical studies in IR. When sampling top-ranked results (excluding the labeled positives) as negatives from a stronger retriever, the performance of the learned NRM becomes even worse. Based on our investigation, the superficial reason is that there are more false negatives (i.e., unlabeled positives) in the top-ranked results with a stronger retriever, which may hurt the training process; The root is the existence of pooling bias in the dataset constructing process, where annotators only judge and label very few samples selected by some basic retrievers. Therefore, in principle, we can formulate the false negative issue in training NRMs as learning from labeled datasets with pooling bias. To solve this problem, we propose a novel Coupled Estimation Technique (CET) that learns both a relevance model and a selection model simultaneously to correct the pooling bias for training NRMs. Empirical results on three retrieval benchmarks show that NRMs trained with our technique can achieve significant gains on ranking effectiveness against other baseline strategies.

Diffusion Language Models (DLMs) promise parallel generation and bidirectional context, yet they underperform autoregressive (AR) models in both likelihood modeling and generated text quality. We identify that this performance gap arises when important tokens (e.g., key words or low-frequency words that anchor a sentence) are masked early in the forward process, limiting contextual information for accurate reconstruction. To address this, we introduce the Anchored Diffusion Language Model (ADLM), a novel two-stage framework that first predicts distributions over important tokens via an anchor network, and then predicts the likelihoods of missing tokens conditioned on the anchored predictions. ADLM significantly improves test perplexity on LM1B and OpenWebText, achieving up to 25.4% gains over prior DLMs, and narrows the gap with strong AR baselines. It also achieves state-of-the-art performance in zero-shot generalization across seven benchmarks and surpasses AR models in MAUVE score, which marks the first time a DLM generates better human-like text than an AR model. Theoretically, we derive an Anchored Negative Evidence Lower Bound (ANELBO) objective and show that anchoring improves sample complexity and likelihood modeling. Beyond diffusion, anchoring boosts performance in AR models and enhances reasoning in math and logic tasks, outperforming existing chain-of-thought approaches

Neural Posterior Estimation methods for simulation-based inference can be ill-suited for dealing with posterior distributions obtained by conditioning on multiple observations, as they tend to require a large number of simulator calls to learn accurate approximations. In contrast, Neural Likelihood Estimation methods can handle multiple observations at inference time after learning from individual observations, but they rely on standard inference methods, such as MCMC or variational inference, which come with certain performance drawbacks. We introduce a new method based on conditional score modeling that enjoys the benefits of both approaches. We model the scores of the (diffused) posterior distributions induced by individual observations, and introduce a way of combining the learned scores to approximately sample from the target posterior distribution. Our approach is sample-efficient, can naturally aggregate multiple observations at inference time, and avoids the drawbacks of standard inference methods.

Large Language Models (LLMs) have performed well on various reasoning tasks, but their inaccessibility and numerous parameters hinder wide application in practice. One promising way is distilling the reasoning ability from LLMs to small models by the generated chain-of-thought reasoning paths. In some cases, however, LLMs may produce incorrect reasoning chains, especially when facing complex mathematical problems. Previous studies only transfer knowledge from positive samples and drop the synthesized data with wrong answers. In this work, we illustrate the merit of negative data and propose a model specialization framework to distill LLMs with negative samples besides positive ones. The framework consists of three progressive steps, covering from training to inference stages, to absorb knowledge from negative data. We conduct extensive experiments across arithmetic reasoning tasks to demonstrate the role of negative data in distillation from LLM.

A ranker plays an indispensable role in the de facto 'retrieval & rerank' pipeline, but its training still lags behind -- learning from moderate negatives or/and serving as an auxiliary module for a retriever. In this work, we first identify two major barriers to a robust ranker, i.e., inherent label noises caused by a well-trained retriever and non-ideal negatives sampled for a high-capable ranker. Thereby, we propose multiple retrievers as negative generators improve the ranker's robustness, where i) involving extensive out-of-distribution label noises renders the ranker against each noise distribution, and ii) diverse hard negatives from a joint distribution are relatively close to the ranker's negative distribution, leading to more challenging thus effective training. To evaluate our robust ranker (dubbed R^2anker), we conduct experiments in various settings on the popular passage retrieval benchmark, including BM25-reranking, full-ranking, retriever distillation, etc. The empirical results verify the new state-of-the-art effectiveness of our model.

Maximizing the log-likelihood is a crucial aspect of learning latent variable models, and variational inference (VI) stands as the commonly adopted method. However, VI can encounter challenges in achieving a high log-likelihood when dealing with complicated posterior distributions. In response to this limitation, we introduce a novel variational importance sampling (VIS) approach that directly estimates and maximizes the log-likelihood. VIS leverages the optimal proposal distribution, achieved by minimizing the forward chi^2 divergence, to enhance log-likelihood estimation. We apply VIS to various popular latent variable models, including mixture models, variational auto-encoders, and partially observable generalized linear models. Results demonstrate that our approach consistently outperforms state-of-the-art baselines, both in terms of log-likelihood and model parameter estimation.

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.

We revisit the likelihood ratio between a pretrained large language model (LLM) and its finetuned variant as a criterion for out-of-distribution (OOD) detection. The intuition behind such a criterion is that, the pretrained LLM has the prior knowledge about OOD data due to its large amount of training data, and once finetuned with the in-distribution data, the LLM has sufficient knowledge to distinguish their difference. Leveraging the power of LLMs, we show that, the likelihood ratio can serve as an effective OOD detection criterion. Moreover, we apply the proposed LLM-based likelihood ratio to detect OOD questions in question-answering (QA) systems, which can be used to improve the performance of specialized LLMs for general questions. Given that likelihood can be easily obtained by the loss functions within contemporary neural network frameworks, it is straightforward to implement this approach in practice. Since both the pretrained LLMs and its various finetuned models are widely available from online platforms such as Hugging Face, our proposed criterion can be effortlessly incorporated for OOD detection without the need for further training. We conduct comprehensive evaluation across on multiple settings, including far OOD, near OOD, spam detection, and QA scenarios, to demonstrate the effectiveness of the method. Code can be found at https://github.com/andiac/LLMOODratio

The fluency and factual knowledge of large language models (LLMs) heightens the need for corresponding systems to detect whether a piece of text is machine-written. For example, students may use LLMs to complete written assignments, leaving instructors unable to accurately assess student learning. In this paper, we first demonstrate that text sampled from an LLM tends to occupy negative curvature regions of the model's log probability function. Leveraging this observation, we then define a new curvature-based criterion for judging if a passage is generated from a given LLM. This approach, which we call DetectGPT, does not require training a separate classifier, collecting a dataset of real or generated passages, or explicitly watermarking generated text. It uses only log probabilities computed by the model of interest and random perturbations of the passage from another generic pre-trained language model (e.g, T5). We find DetectGPT is more discriminative than existing zero-shot methods for model sample detection, notably improving detection of fake news articles generated by 20B parameter GPT-NeoX from 0.81 AUROC for the strongest zero-shot baseline to 0.95 AUROC for DetectGPT. See https://ericmitchell.ai/detectgpt for code, data, and other project information.

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.

We propose algorithms for approximate filtering and smoothing in high-dimensional Factorial hidden Markov models. The approximation involves discarding, in a principled way, likelihood factors according to a notion of locality in a factor graph associated with the emission distribution. This allows the exponential-in-dimension cost of exact filtering and smoothing to be avoided. We prove that the approximation accuracy, measured in a local total variation norm, is "dimension-free" in the sense that as the overall dimension of the model increases the error bounds we derive do not necessarily degrade. A key step in the analysis is to quantify the error introduced by localizing the likelihood function in a Bayes' rule update. The factorial structure of the likelihood function which we exploit arises naturally when data have known spatial or network structure. We demonstrate the new algorithms on synthetic examples and a London Underground passenger flow problem, where the factor graph is effectively given by the train network.

Although text-to-image diffusion models have made significant strides in generating images from text, they are sometimes more inclined to generate images like the data on which the model was trained rather than the provided text. This limitation has hindered their usage in both 2D and 3D applications. To address this problem, we explored the use of negative prompts but found that the current implementation fails to produce desired results, particularly when there is an overlap between the main and negative prompts. To overcome this issue, we propose Perp-Neg, a new algorithm that leverages the geometrical properties of the score space to address the shortcomings of the current negative prompts algorithm. Perp-Neg does not require any training or fine-tuning of the model. Moreover, we experimentally demonstrate that Perp-Neg provides greater flexibility in generating images by enabling users to edit out unwanted concepts from the initially generated images in 2D cases. Furthermore, to extend the application of Perp-Neg to 3D, we conducted a thorough exploration of how Perp-Neg can be used in 2D to condition the diffusion model to generate desired views, rather than being biased toward the canonical views. Finally, we applied our 2D intuition to integrate Perp-Neg with the state-of-the-art text-to-3D (DreamFusion) method, effectively addressing its Janus (multi-head) problem. Our project page is available at https://Perp-Neg.github.io/

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.

Due to the difficulty of collecting exhaustive multi-label annotations, multi-label datasets often contain partial labels. We consider an extreme of this weakly supervised learning problem, called single positive multi-label learning (SPML), where each multi-label training image has only one positive label. Traditionally, all unannotated labels are assumed as negative labels in SPML, which introduces false negative labels and causes model training to be dominated by assumed negative labels. In this work, we choose to treat all unannotated labels from an alternative perspective, i.e. acknowledging they are unknown. Hence, we propose entropy-maximization (EM) loss to attain a special gradient regime for providing proper supervision signals. Moreover, we propose asymmetric pseudo-labeling (APL), which adopts asymmetric-tolerance strategies and a self-paced procedure, to cooperate with EM loss and then provide more precise supervision. Experiments show that our method significantly improves performance and achieves state-of-the-art results on all four benchmarks. Code is available at https://github.com/Correr-Zhou/SPML-AckTheUnknown.

Flow-based generative models (Dinh et al., 2014) are conceptually attractive due to tractability of the exact log-likelihood, tractability of exact latent-variable inference, and parallelizability of both training and synthesis. In this paper we propose Glow, a simple type of generative flow using an invertible 1x1 convolution. Using our method we demonstrate a significant improvement in log-likelihood on standard benchmarks. Perhaps most strikingly, we demonstrate that a generative model optimized towards the plain log-likelihood objective is capable of efficient realistic-looking synthesis and manipulation of large images. The code for our model is available at https://github.com/openai/glow

Pretrained masked language models (MLMs) require finetuning for most NLP tasks. Instead, we evaluate MLMs out of the box via their pseudo-log-likelihood scores (PLLs), which are computed by masking tokens one by one. We show that PLLs outperform scores from autoregressive language models like GPT-2 in a variety of tasks. By rescoring ASR and NMT hypotheses, RoBERTa reduces an end-to-end LibriSpeech model's WER by 30% relative and adds up to +1.7 BLEU on state-of-the-art baselines for low-resource translation pairs, with further gains from domain adaptation. We attribute this success to PLL's unsupervised expression of linguistic acceptability without a left-to-right bias, greatly improving on scores from GPT-2 (+10 points on island effects, NPI licensing in BLiMP). One can finetune MLMs to give scores without masking, enabling computation in a single inference pass. In all, PLLs and their associated pseudo-perplexities (PPPLs) enable plug-and-play use of the growing number of pretrained MLMs; e.g., we use a single cross-lingual model to rescore translations in multiple languages. We release our library for language model scoring at https://github.com/awslabs/mlm-scoring.

Rerankers play a critical role in multimodal Retrieval-Augmented Generation (RAG) by refining ranking of an initial set of retrieved documents. Rerankers are typically trained using hard negative mining, whose goal is to select pages for each query which rank high, but are actually irrelevant. However, this selection process is typically passive and restricted to what the retriever can find in the available corpus, leading to several inherent limitations. These include: limited diversity, negative examples which are often not hard enough, low controllability, and frequent false negatives which harm training. Our paper proposes an alternative approach: Single-Page Hard Negative Query Generation, which goes the other way around. Instead of retrieving negative pages per query, we generate hard negative queries per page. Using an automated LLM-VLM pipeline, and given a page and its positive query, we create hard negatives by rephrasing the query to be as similar as possible in form and context, yet not answerable from the page. This paradigm enables fine-grained control over the generated queries, resulting in diverse, hard, and targeted negatives. It also supports efficient false negative verification. Our experiments show that rerankers trained with data generated using our approach outperform existing models and significantly improve retrieval performance.

Large Language Models (LLMs) have exhibited remarkable performance on reasoning tasks. They utilize autoregressive token generation to construct reasoning trajectories, enabling the development of a coherent chain of thought. In this work, we explore the impact of individual tokens on the final outcomes of reasoning tasks. We identify the existence of ``critical tokens'' that lead to incorrect reasoning trajectories in LLMs. Specifically, we find that LLMs tend to produce positive outcomes when forced to decode other tokens instead of critical tokens. Motivated by this observation, we propose a novel approach - cDPO - designed to automatically recognize and conduct token-level rewards for the critical tokens during the alignment process. Specifically, we develop a contrastive estimation approach to automatically identify critical tokens. It is achieved by comparing the generation likelihood of positive and negative models. To achieve this, we separately fine-tune the positive and negative models on various reasoning trajectories, consequently, they are capable of identifying identify critical tokens within incorrect trajectories that contribute to erroneous outcomes. Moreover, to further align the model with the critical token information during the alignment process, we extend the conventional DPO algorithms to token-level DPO and utilize the differential likelihood from the aforementioned positive and negative model as important weight for token-level DPO learning.Experimental results on GSM8K and MATH500 benchmarks with two-widely used models Llama-3 (8B and 70B) and deepseek-math (7B) demonstrate the effectiveness of the propsoed approach cDPO.

Today's deep neural networks require substantial computation resources for their training, storage, and inference, which limits their effective use on resource-constrained devices. Many recent research activities explore different options for compressing and optimizing deep models. On the one hand, in many real-world applications, we face the data imbalance challenge, i.e. when the number of labeled instances of one class considerably outweighs the number of labeled instances of the other class. On the other hand, applications may pose a class imbalance problem, i.e. higher number of false positives produced when training a model and optimizing its performance may be tolerable, yet the number of false negatives must stay low. The problem originates from the fact that some classes are more important for the application than others, e.g. detection problems in medical and surveillance domains. Motivated by the success of the lottery ticket hypothesis, in this paper we propose an iterative deep model compression technique, which keeps the number of false negatives of the compressed model close to the one of the original model at the price of increasing the number of false positives if necessary. Our experimental evaluation using two benchmark data sets shows that the resulting compressed sub-networks 1) achieve up to 35% lower number of false negatives than the compressed model without class optimization, 2) provide an overall higher AUC_ROC measure, and 3) use up to 99% fewer parameters compared to the original network.

Convolutional Neural Networks have been shown to be vulnerable to adversarial examples, which are known to locate in subspaces close to where normal data lies but are not naturally occurring and of low probability. In this work, we investigate the potential effect defense techniques have on the geometry of the likelihood landscape - likelihood of the input images under the trained model. We first propose a way to visualize the likelihood landscape leveraging an energy-based model interpretation of discriminative classifiers. Then we introduce a measure to quantify the flatness of the likelihood landscape. We observe that a subset of adversarial defense techniques results in a similar effect of flattening the likelihood landscape. We further explore directly regularizing towards a flat landscape for adversarial robustness.

Software systems often record important runtime information in logs to help with troubleshooting. Log-based anomaly detection has become a key research area that aims to identify system issues through log data, ultimately enhancing the reliability of software systems. Traditional deep learning methods often struggle to capture the semantic information embedded in log data, which is typically organized in natural language. In this paper, we propose LogLLM, a log-based anomaly detection framework that leverages large language models (LLMs). LogLLM employs BERT for extracting semantic vectors from log messages, while utilizing Llama, a transformer decoder-based model, for classifying log sequences. Additionally, we introduce a projector to align the vector representation spaces of BERT and Llama, ensuring a cohesive understanding of log semantics. Unlike conventional methods that require log parsers to extract templates, LogLLM preprocesses log messages with regular expressions, streamlining the entire process. Our framework is trained through a novel three-stage procedure designed to enhance performance and adaptability. Experimental results across four public datasets demonstrate that LogLLM outperforms state-of-the-art methods. Even when handling unstable logs, it effectively captures the semantic meaning of log messages and detects anomalies accurately.

Denoising diffusion probabilistic models (DDPM) are a class of generative models which have recently been shown to produce excellent samples. We show that with a few simple modifications, DDPMs can also achieve competitive log-likelihoods while maintaining high sample quality. Additionally, we find that learning variances of the reverse diffusion process allows sampling with an order of magnitude fewer forward passes with a negligible difference in sample quality, which is important for the practical deployment of these models. We additionally use precision and recall to compare how well DDPMs and GANs cover the target distribution. Finally, we show that the sample quality and likelihood of these models scale smoothly with model capacity and training compute, making them easily scalable. We release our code at https://github.com/openai/improved-diffusion

Most positive and unlabeled data is subject to selection biases. The labeled examples can, for example, be selected from the positive set because they are easier to obtain or more obviously positive. This paper investigates how learning can be ena BHbled in this setting. We propose and theoretically analyze an empirical-risk-based method for incorporating the labeling mechanism. Additionally, we investigate under which assumptions learning is possible when the labeling mechanism is not fully understood and propose a practical method to enable this. Our empirical analysis supports the theoretical results and shows that taking into account the possibility of a selection bias, even when the labeling mechanism is unknown, improves the trained classifiers.

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.

Large language models (LLMs) have achieved success in acting as agents, which interact with environments through tools like search engines. However, LLMs are not optimized specifically for tool use during training or alignment, limiting their effectiveness as agents. To resolve this problem, previous work has collected interaction trajectories between GPT-4 and environments, and fine-tuned smaller models with them. As part of this, the standard approach has been to simply discard trajectories that do not finish the task successfully, which, on the one hand, leads to a significant waste of data and resources, and on the other hand, has the potential to limit the possible optimization paths during fine-tuning. In this paper, we contend that large language models can learn from failures through appropriate data cleaning and fine-tuning strategies. We conduct experiments on mathematical reasoning, multi-hop question answering, and strategic question answering tasks. Experimental results demonstrate that compared to solely using positive examples, incorporating negative examples enhances model performance by a large margin.

Contemporary large-scale visual language models (VLMs) exhibit strong representation capacities, making them ubiquitous for enhancing image and text understanding tasks. They are often trained in a contrastive manner on a large and diverse corpus of images and corresponding text captions scraped from the internet. Despite this, VLMs often struggle with compositional reasoning tasks which require a fine-grained understanding of the complex interactions of objects and their attributes. This failure can be attributed to two main factors: 1) Contrastive approaches have traditionally focused on mining negative examples from existing datasets. However, the mined negative examples might not be difficult for the model to discriminate from the positive. An alternative to mining would be negative sample generation 2) But existing generative approaches primarily focus on generating hard negative texts associated with a given image. Mining in the other direction, i.e., generating negative image samples associated with a given text has been ignored. To overcome both these limitations, we propose a framework that not only mines in both directions but also generates challenging negative samples in both modalities, i.e., images and texts. Leveraging these generative hard negative samples, we significantly enhance VLMs' performance in tasks involving multimodal compositional reasoning. Our code and dataset are released at https://ugorsahin.github.io/enhancing-multimodal-compositional-reasoning-of-vlm.html.

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.

Large Language Models (LLMs) often expend significant computational resources generating boilerplate responses, such as refusals, simple acknowledgements and casual greetings, which adds unnecessary cost and latency. To address this inefficiency, we propose a simple yet highly effective method for detecting such responses after only a single generation step. We demonstrate that the log-probability distribution of the first generated token serves as a powerful signal for classifying the nature of the entire subsequent response. Our experiments, conducted across a diverse range of small, large, and reasoning-specialized models, show that the first-token log-probability vectors form distinctly separable clusters for different response types. Using a lightweight k-NN classifier, we achieve high accuracy in predicting whether a response will be a substantive answer or a form of boilerplate response, including user-specified refusals. The primary implication is a practical, computationally trivial technique, optimizing LLM inference by enabling early termination or redirection to a smaller model, thereby yielding significant savings in computational cost. This work presents a direct path toward more efficient and sustainable LLM deployment.

Recently, contrastive learning has been shown to be effective in improving pre-trained language models (PLM) to derive high-quality sentence representations. It aims to pull close positive examples to enhance the alignment while push apart irrelevant negatives for the uniformity of the whole representation space. However, previous works mostly adopt in-batch negatives or sample from training data at random. Such a way may cause the sampling bias that improper negatives (e.g. false negatives and anisotropy representations) are used to learn sentence representations, which will hurt the uniformity of the representation space. To address it, we present a new framework DCLR (Debiased Contrastive Learning of unsupervised sentence Representations) to alleviate the influence of these improper negatives. In DCLR, we design an instance weighting method to punish false negatives and generate noise-based negatives to guarantee the uniformity of the representation space. Experiments on seven semantic textual similarity tasks show that our approach is more effective than competitive baselines. Our code and data are publicly available at the link: blue{https://github.com/RUCAIBox/DCLR}.

Backward compatibility of model predictions is a desired property when updating a machine learning driven application. It allows to seamlessly improve the underlying model without introducing regression bugs. In classification tasks these bugs occur in the form of negative flips. This means an instance that was correctly classified by the old model is now classified incorrectly by the updated model. This has direct negative impact on the user experience of such systems e.g. a frequently used voice assistant query is suddenly misclassified. A common reason to update the model is when new training data becomes available and needs to be incorporated. Simply retraining the model with the updated data introduces the unwanted negative flips. We study the problem of regression during data updates and propose Backward Compatible Weight Interpolation (BCWI). This method interpolates between the weights of the old and new model and we show in extensive experiments that it reduces negative flips without sacrificing the improved accuracy of the new model. BCWI is straight forward to implement and does not increase inference cost. We also explore the use of importance weighting during interpolation and averaging the weights of multiple new models in order to further reduce negative flips.

Large Language Models (LLMs) have become integral to a wide spectrum of applications, ranging from traditional computing tasks to advanced artificial intelligence (AI) applications. This widespread adoption has spurred extensive research into LLMs across various disciplines, including the social sciences. Notably, studies have revealed that LLMs possess emotional intelligence, which can be further developed through positive emotional stimuli. This discovery raises an intriguing question: can negative emotions similarly influence LLMs, potentially enhancing their performance? In response to this question, we introduce NegativePrompt, a novel approach underpinned by psychological principles, involving ten specifically designed negative emotional stimuli. We embark on rigorous experimental evaluations of five LLMs including Flan-T5-Large, Vicuna, Llama 2, ChatGPT, and GPT-4, across a set of 45 tasks. The results are revealing: NegativePrompt markedly enhances the performance of LLMs, evidenced by relative improvements of 12.89% in Instruction Induction tasks and 46.25% in BIG-Bench tasks. Moreover, we conduct attention visualization experiments to decipher the underlying mechanisms of NegativePrompt's influence. Our research contributes significantly to the understanding of LLMs and emotion interaction, demonstrating the practical efficacy of NegativePrompt as an emotion-driven method and offering novel insights for the enhancement of LLMs in real-world applications. The code is available at https://github.com/wangxu0820/NegativePrompt.

In self-supervised learning, a system is tasked with achieving a surrogate objective by defining alternative targets on a set of unlabeled data. The aim is to build useful representations that can be used in downstream tasks, without costly manual annotation. In this work, we propose a novel self-supervised formulation of relational reasoning that allows a learner to bootstrap a signal from information implicit in unlabeled data. Training a relation head to discriminate how entities relate to themselves (intra-reasoning) and other entities (inter-reasoning), results in rich and descriptive representations in the underlying neural network backbone, which can be used in downstream tasks such as classification and image retrieval. We evaluate the proposed method following a rigorous experimental procedure, using standard datasets, protocols, and backbones. Self-supervised relational reasoning outperforms the best competitor in all conditions by an average 14% in accuracy, and the most recent state-of-the-art model by 3%. We link the effectiveness of the method to the maximization of a Bernoulli log-likelihood, which can be considered as a proxy for maximizing the mutual information, resulting in a more efficient objective with respect to the commonly used contrastive losses.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

Large Language Models (LLMs) often memorize sensitive, private, or copyrighted data during pre-training. LLM unlearning aims to eliminate the influence of undesirable data from the pre-trained model while preserving the model's utilities on other tasks. Several practical methods have recently been proposed for LLM unlearning, mostly based on gradient ascent (GA) on the loss of undesirable data. However, on certain unlearning tasks, these methods either fail to effectively unlearn the target data or suffer from catastrophic collapse -- a drastic degradation of the model's utilities. In this paper, we propose Negative Preference Optimization (NPO), a simple alignment-inspired method that could efficiently and effectively unlearn a target dataset. We theoretically show that the progression toward catastrophic collapse by minimizing the NPO loss is exponentially slower than GA. Through experiments on synthetic data and the benchmark TOFU dataset, we demonstrate that NPO-based methods achieve a better balance between unlearning the undesirable data and maintaining the model's utilities. We also observe that NPO-based methods generate more sensible outputs than GA-based methods, whose outputs are often gibberish. Remarkably, on TOFU, NPO-based methods are the first to achieve reasonable unlearning results in forgetting 50% (or more) of the training data, whereas existing methods already struggle with forgetting 10% of training data.

Many evaluation measures are used to evaluate social biases in masked language models (MLMs). However, we find that these previously proposed evaluation measures are lacking robustness in scenarios with limited datasets. This is because these measures are obtained by comparing the pseudo-log-likelihood (PLL) scores of the stereotypical and anti-stereotypical samples using an indicator function. The disadvantage is the limited mining of the PLL score sets without capturing its distributional information. In this paper, we represent a PLL score set as a Gaussian distribution and use Kullback Leibler (KL) divergence and Jensen Shannon (JS) divergence to construct evaluation measures for the distributions of stereotypical and anti-stereotypical PLL scores. Experimental results on the publicly available datasets StereoSet (SS) and CrowS-Pairs (CP) show that our proposed measures are significantly more robust and interpretable than those proposed previously.

Training on model-generated synthetic data is a promising approach for finetuning LLMs, but it remains unclear when it helps or hurts. In this paper, we investigate this question for math reasoning via an empirical study, followed by building a conceptual understanding of our observations. First, we find that while the typical approach of finetuning a model on synthetic correct or positive problem-solution pairs generated by capable models offers modest performance gains, sampling more correct solutions from the finetuned learner itself followed by subsequent fine-tuning on this self-generated data doubles the efficiency of the same synthetic problems. At the same time, training on model-generated positives can amplify various spurious correlations, resulting in flat or even inverse scaling trends as the amount of data increases. Surprisingly, we find that several of these issues can be addressed if we also utilize negative responses, i.e., model-generated responses that are deemed incorrect by a final answer verifier. Crucially, these negatives must be constructed such that the training can appropriately recover the utility or advantage of each intermediate step in the negative response. With this per-step scheme, we are able to attain consistent gains over only positive data, attaining performance similar to amplifying the amount of synthetic data by 8 times. We show that training on per-step negatives can help to unlearn spurious correlations in the positive data, and is equivalent to advantage-weighted reinforcement learning (RL), implying that it inherits robustness benefits of RL over imitating positive data alone.

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.

Recent advancements in language models have led to significant improvements in mathematical reasoning across various benchmarks. However, most of these benchmarks rely on automatic evaluation methods that only compare final answers using heuristics, without verifying the underlying reasoning steps. This limitation results in false positive solutions, where models may produce correct final answers but with flawed deduction paths. In this paper, we systematically examine the prevalence of false positive solutions in mathematical problem solving for language models. We analyze the characteristics and extent of this issue across different open-source models, datasets of varying difficulty levels, and decoding strategies. Specifically, we explore how false positives influence the inference time scaling behavior of language models. Our experimental results reveal that: (1) false positive solutions persist across different models, datasets, and decoding methods, (2) sampling-based inference time scaling methods do not alleviate the problem, and (3) the pass@N evaluation metric is more susceptible to false positives, suggesting a significantly lower scaling ceiling than what automatic evaluations indicate. Additionally, we analyze specific instances of false positives and discuss potential limitations in self-improvement techniques and synthetic data generation under such conditions. Our data and code are publicly available at https://github.com/Wloner0809/False-Positives-in-Math.

Although soft prompt tuning is effective in efficiently adapting Vision-Language (V&L) models for downstream tasks, it shows limitations in dealing with distribution shifts. We address this issue with Attribute-Guided Prompt Tuning (ArGue), making three key contributions. 1) In contrast to the conventional approach of directly appending soft prompts preceding class names, we align the model with primitive visual attributes generated by Large Language Models (LLMs). We posit that a model's ability to express high confidence in these attributes signifies its capacity to discern the correct class rationales. 2) We introduce attribute sampling to eliminate disadvantageous attributes, thus only semantically meaningful attributes are preserved. 3) We propose negative prompting, explicitly enumerating class-agnostic attributes to activate spurious correlations and encourage the model to generate highly orthogonal probability distributions in relation to these negative features. In experiments, our method significantly outperforms current state-of-the-art prompt tuning methods on both novel class prediction and out-of-distribution generalization tasks.

Likelihood approximations for images are not trivial to compute and can be useful in many applications. We examine the use of Contrastive Language-Image Pre-training (CLIP) to assess the likelihood of images and captions. We introduce Whitened CLIP, a novel transformation of the CLIP latent space via an invertible linear operation. This transformation ensures that each feature in the embedding space has zero mean, unit standard deviation, and no correlation with all other features, resulting in an identity covariance matrix. We show that the whitened embeddings statistics can be well approximated as a standard normal distribution, thus, the log-likelihood is estimated simply by the square Euclidean norm in the whitened embedding space. The whitening procedure is completely training-free and performed using a pre-computed whitening matrix, hence, is very fast. We present several preliminary experiments demonstrating the properties and applicability of these likelihood scores to images and captions.

The goal of face recognition (FR) can be viewed as a pair similarity optimization problem, maximizing a similarity set S^p over positive pairs, while minimizing similarity set S^n over negative pairs. Ideally, it is expected that FR models form a well-discriminative feature space (WDFS) that satisfies mathcal{S^p} > mathcal{S^n}. With regard to WDFS, the existing deep feature learning paradigms (i.e., metric and classification losses) can be expressed as a unified perspective on different pair generation (PG) strategies. Unfortunately, in the metric loss (ML), it is infeasible to generate negative pairs taking all classes into account in each iteration because of the limited mini-batch size. In contrast, in classification loss (CL), it is difficult to generate extremely hard negative pairs owing to the convergence of the class weight vectors to their center. This leads to a mismatch between the two similarity distributions of the sampled pairs and all negative pairs. Thus, this paper proposes a unified negative pair generation (UNPG) by combining two PG strategies (i.e., MLPG and CLPG) from a unified perspective to alleviate the mismatch. UNPG introduces useful information about negative pairs using MLPG to overcome the CLPG deficiency. Moreover, it includes filtering the similarities of noisy negative pairs to guarantee reliable convergence and improved performance. Exhaustive experiments show the superiority of UNPG by achieving state-of-the-art performance across recent loss functions on public benchmark datasets. Our code and pretrained models are publicly available.

Most of the current self-supervised representation learning (SSL) methods are based on the contrastive loss and the instance-discrimination task, where augmented versions of the same image instance ("positives") are contrasted with instances extracted from other images ("negatives"). For the learning to be effective, many negatives should be compared with a positive pair, which is computationally demanding. In this paper, we propose a different direction and a new loss function for SSL, which is based on the whitening of the latent-space features. The whitening operation has a "scattering" effect on the batch samples, avoiding degenerate solutions where all the sample representations collapse to a single point. Our solution does not require asymmetric networks and it is conceptually simple. Moreover, since negatives are not needed, we can extract multiple positive pairs from the same image instance. The source code of the method and of all the experiments is available at: https://github.com/htdt/self-supervised.

Why do brains have inhibitory connections? Why do deep networks have negative weights? We propose an answer from the perspective of representation capacity. We believe representing functions is the primary role of both (i) the brain in natural intelligence, and (ii) deep networks in artificial intelligence. Our answer to why there are inhibitory/negative weights is: to learn more functions. We prove that, in the absence of negative weights, neural networks with non-decreasing activation functions are not universal approximators. While this may be an intuitive result to some, to the best of our knowledge, there is no formal theory, in either machine learning or neuroscience, that demonstrates why negative weights are crucial in the context of representation capacity. Further, we provide insights on the geometric properties of the representation space that non-negative deep networks cannot represent. We expect these insights will yield a deeper understanding of more sophisticated inductive priors imposed on the distribution of weights that lead to more efficient biological and machine learning.

Generative Models (GMs) have attracted considerable attention due to their tremendous success in various domains, such as computer vision where they are capable to generate impressive realistic-looking images. Likelihood-based GMs are attractive due to the possibility to generate new data by a single model evaluation. However, they typically achieve lower sample quality compared to state-of-the-art score-based diffusion models (DMs). This paper provides a significant step in the direction of addressing this limitation. The idea is to borrow one of the strengths of score-based DMs, which is the ability to perform accurate density estimation in low-density regions and to address manifold overfitting by means of data mollification. We connect data mollification through the addition of Gaussian noise to Gaussian homotopy, which is a well-known technique to improve optimization. Data mollification can be implemented by adding one line of code in the optimization loop, and we demonstrate that this provides a boost in generation quality of likelihood-based GMs, without computational overheads. We report results on image data sets with popular likelihood-based GMs, including variants of variational autoencoders and normalizing flows, showing large improvements in FID score.

Knowledge probing assesses to which degree a language model (LM) has successfully learned relational knowledge during pre-training. Probing is an inexpensive way to compare LMs of different sizes and training configurations. However, previous approaches rely on the objective function used in pre-training LMs and are thus applicable only to masked or causal LMs. As a result, comparing different types of LMs becomes impossible. To address this, we propose an approach that uses an LM's inherent ability to estimate the log-likelihood of any given textual statement. We carefully design an evaluation dataset of 7,731 instances (40,916 in a larger variant) from which we produce alternative statements for each relational fact, one of which is correct. We then evaluate whether an LM correctly assigns the highest log-likelihood to the correct statement. Our experimental evaluation of 22 common LMs shows that our proposed framework, BEAR, can effectively probe for knowledge across different LM types. We release the BEAR datasets and an open-source framework that implements the probing approach to the research community to facilitate the evaluation and development of LMs.

Knowledge Graph Embedding models have become an important area of machine learning.Those models provide a latent representation of entities and relations in a knowledge graph which can then be used in downstream machine learning tasks such as link prediction. The learning process of such models can be performed by contrasting positive and negative triples. While all triples of a KG are considered positive, negative triples are usually not readily available. Therefore, the choice of the sampling method to obtain the negative triples play a crucial role in the performance and effectiveness of Knowledge Graph Embedding models. Most of the current methods fetch negative samples from a random distribution of entities in the underlying Knowledge Graph which also often includes meaningless triples. Other known methods use adversarial techniques or generative neural networks which consequently reduce the efficiency of the process. In this paper, we propose an approach for generating informative negative samples considering available complementary knowledge about entities. Particularly, Pre-trained Language Models are used to form neighborhood clusters by utilizing the distances between entities to obtain representations of symbolic entities via their textual information. Our comprehensive evaluations demonstrate the effectiveness of the proposed approach on benchmark Knowledge Graphs with textual information for the link prediction task.

Diffusion models have gained traction as powerful algorithms for synthesizing high-quality images. Central to these algorithms is the diffusion process, a set of equations which maps data to noise in a way that can significantly affect performance. In this paper, we explore whether the diffusion process can be learned from data. Our work is grounded in Bayesian inference and seeks to improve log-likelihood estimation by casting the learned diffusion process as an approximate variational posterior that yields a tighter lower bound (ELBO) on the likelihood. A widely held assumption is that the ELBO is invariant to the noise process: our work dispels this assumption and proposes multivariate learned adaptive noise (MULAN), a learned diffusion process that applies noise at different rates across an image. Specifically, our method relies on a multivariate noise schedule that is a function of the data to ensure that the ELBO is no longer invariant to the choice of the noise schedule as in previous works. Empirically, MULAN sets a new state-of-the-art in density estimation on CIFAR-10 and ImageNet and reduces the number of training steps by 50%. Code is available at https://github.com/s-sahoo/MuLAN

Unsupervised constituency parsers organize phrases within a sentence into a tree-shaped syntactic constituent structure that reflects the organization of sentence semantics. However, the traditional objective of maximizing sentence log-likelihood (LL) does not explicitly account for the close relationship between the constituent structure and the semantics, resulting in a weak correlation between LL values and parsing accuracy. In this paper, we introduce a novel objective for training unsupervised parsers: maximizing the information between constituent structures and sentence semantics (SemInfo). We introduce a bag-of-substrings model to represent the semantics and apply the probability-weighted information metric to estimate the SemInfo. Additionally, we develop a Tree Conditional Random Field (TreeCRF)-based model to apply the SemInfo maximization objective to Probabilistic Context-Free Grammar (PCFG) induction, the state-of-the-art method for unsupervised constituency parsing. Experiments demonstrate that SemInfo correlates more strongly with parsing accuracy than LL. Our algorithm significantly enhances parsing accuracy by an average of 7.85 points across five PCFG variants and in four languages, achieving new state-of-the-art results in three of the four languages.

Large Language Models (LLMs) have demonstrated impressive capabilities for generalizing in unseen tasks. In the Named Entity Recognition (NER) task, recent advancements have seen the remarkable improvement of LLMs in a broad range of entity domains via instruction tuning, by adopting entity-centric schema. In this work, we explore the potential enhancement of the existing methods by incorporating negative instances into training. Our experiments reveal that negative instances contribute to remarkable improvements by (1) introducing contextual information, and (2) clearly delineating label boundaries. Furthermore, we introduce a novel and efficient algorithm named Hierarchical Matching, which is tailored to transform unstructured predictions into structured entities. By integrating these components, we present GNER, a Generative NER system that shows improved zero-shot performance across unseen entity domains. Our comprehensive evaluation illustrates our system's superiority, surpassing state-of-the-art (SoTA) methods by 11 F_1 score in zero-shot evaluation.

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.

A promising class of generative models maps points from a simple distribution to a complex distribution through an invertible neural network. Likelihood-based training of these models requires restricting their architectures to allow cheap computation of Jacobian determinants. Alternatively, the Jacobian trace can be used if the transformation is specified by an ordinary differential equation. In this paper, we use Hutchinson's trace estimator to give a scalable unbiased estimate of the log-density. The result is a continuous-time invertible generative model with unbiased density estimation and one-pass sampling, while allowing unrestricted neural network architectures. We demonstrate our approach on high-dimensional density estimation, image generation, and variational inference, achieving the state-of-the-art among exact likelihood methods with efficient sampling.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Recent studies have revealed a number of pathologies of neural machine translation (NMT) systems. Hypotheses explaining these mostly suggest there is something fundamentally wrong with NMT as a model or its training algorithm, maximum likelihood estimation (MLE). Most of this evidence was gathered using maximum a posteriori (MAP) decoding, a decision rule aimed at identifying the highest-scoring translation, i.e. the mode. We argue that the evidence corroborates the inadequacy of MAP decoding more than casts doubt on the model and its training algorithm. In this work, we show that translation distributions do reproduce various statistics of the data well, but that beam search strays from such statistics. We show that some of the known pathologies and biases of NMT are due to MAP decoding and not to NMT's statistical assumptions nor MLE. In particular, we show that the most likely translations under the model accumulate so little probability mass that the mode can be considered essentially arbitrary. We therefore advocate for the use of decision rules that take into account the translation distribution holistically. We show that an approximation to minimum Bayes risk decoding gives competitive results confirming that NMT models do capture important aspects of translation well in expectation.

Safe deployment of large language models (LLMs) may benefit from a reliable method for assessing their generated content to determine when to abstain or to selectively generate. While likelihood-based metrics such as perplexity are widely employed, recent research has demonstrated the limitations of using sequence-level probability estimates given by LLMs as reliable indicators of generation quality. Conversely, LLMs have demonstrated strong calibration at the token level, particularly when it comes to choosing correct answers in multiple-choice questions or evaluating true/false statements. In this work, we reformulate open-ended generation tasks into token-level prediction tasks, and leverage LLMs' superior calibration at the token level. We instruct an LLM to self-evaluate its answers, employing either a multi-way comparison or a point-wise evaluation approach, with the option to include a ``None of the above'' option to express the model's uncertainty explicitly. We benchmark a range of scoring methods based on self-evaluation and evaluate their performance in selective generation using TruthfulQA and TL;DR. Through experiments with PaLM-2 and GPT-3, we demonstrate that self-evaluation based scores not only improve accuracy, but also correlate better with the overall quality of generated content.

We consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

The inspiral, merger, and ringdown of Massive Black Hole Binaries (MBHBs) is one the main sources of Gravitational Waves (GWs) for the future Laser Interferometer Space Antenna (LISA), an ESA-led mission in the implementation phase. It is expected that LISA will detect these systems throughout the entire observable universe. Robust and efficient data analysis algorithms are necessary to detect and estimate physical parameters for these systems. In this work, we explore the application of Sequential Neural Likelihood, a simulation-based inference algorithm, to detect and characterize MBHB GW signals in synthetic LISA data. We describe in detail the different elements of the method, their performance and possible alternatives that can be used to enhance the performance. Instead of sampling from the conventional likelihood function, which requires a forward simulation for each evaluation, this method constructs a surrogate likelihood that is ultimately described by a neural network trained from a dataset of simulations of the MBHB signals and noise. One important advantage of this method is that, given that the likelihood is independent of the priors, we can iteratively train models that target specific observations in a fraction of the time and computational cost that other traditional and machine learning-based strategies would require. Because of the iterative nature of the method, we are able to train models to obtain qualitatively similar posteriors with less than 2\% of the simulator calls that Markov Chain Monte Carlo methods would require. We compare these posteriors with those obtained from Markov Chain Monte Carlo techniques and discuss the differences that appear, in particular in relation with the important role that data compression has in the modular implementation of the method that we present. We also discuss different strategies to improve the performance of the algorithms.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

The concept of negative prompts, emerging from conditional generation models like Stable Diffusion, allows users to specify what to exclude from the generated images.%, demonstrating significant practical efficacy. Despite the widespread use of negative prompts, their intrinsic mechanisms remain largely unexplored. This paper presents the first comprehensive study to uncover how and when negative prompts take effect. Our extensive empirical analysis identifies two primary behaviors of negative prompts. Delayed Effect: The impact of negative prompts is observed after positive prompts render corresponding content. Deletion Through Neutralization: Negative prompts delete concepts from the generated image through a mutual cancellation effect in latent space with positive prompts. These insights reveal significant potential real-world applications; for example, we demonstrate that negative prompts can facilitate object inpainting with minimal alterations to the background via a simple adaptive algorithm. We believe our findings will offer valuable insights for the community in capitalizing on the potential of negative prompts.

The problem of estimating an unknown discrete distribution from its samples is a fundamental tenet of statistical learning. Over the past decade, it attracted significant research effort and has been solved for a variety of divergence measures. Surprisingly, an equally important problem, estimating an unknown Markov chain from its samples, is still far from understood. We consider two problems related to the min-max risk (expected loss) of estimating an unknown k-state Markov chain from its n sequential samples: predicting the conditional distribution of the next sample with respect to the KL-divergence, and estimating the transition matrix with respect to a natural loss induced by KL or a more general f-divergence measure. For the first measure, we determine the min-max prediction risk to within a linear factor in the alphabet size, showing it is Omega(kloglog n / n) and O(k^2loglog n / n). For the second, if the transition probabilities can be arbitrarily small, then only trivial uniform risk upper bounds can be derived. We therefore consider transition probabilities that are bounded away from zero, and resolve the problem for essentially all sufficiently smooth f-divergences, including KL-, L_2-, Chi-squared, Hellinger, and Alpha-divergences.

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.

A membership inference attack allows an adversary to query a trained machine learning model to predict whether or not a particular example was contained in the model's training dataset. These attacks are currently evaluated using average-case "accuracy" metrics that fail to characterize whether the attack can confidently identify any members of the training set. We argue that attacks should instead be evaluated by computing their true-positive rate at low (e.g., <0.1%) false-positive rates, and find most prior attacks perform poorly when evaluated in this way. To address this we develop a Likelihood Ratio Attack (LiRA) that carefully combines multiple ideas from the literature. Our attack is 10x more powerful at low false-positive rates, and also strictly dominates prior attacks on existing metrics.

Although large language models (LLMs) have apparently acquired a certain level of grammatical knowledge and the ability to make generalizations, they fail to interpret negation, a crucial step in Natural Language Processing. We try to clarify the reasons for the sub-optimal performance of LLMs understanding negation. We introduce a large semi-automatically generated dataset of circa 400,000 descriptive sentences about commonsense knowledge that can be true or false in which negation is present in about 2/3 of the corpus in different forms. We have used our dataset with the largest available open LLMs in a zero-shot approach to grasp their generalization and inference capability and we have also fine-tuned some of the models to assess whether the understanding of negation can be trained. Our findings show that, while LLMs are proficient at classifying affirmative sentences, they struggle with negative sentences and lack a deep understanding of negation, often relying on superficial cues. Although fine-tuning the models on negative sentences improves their performance, the lack of generalization in handling negation is persistent, highlighting the ongoing challenges of LLMs regarding negation understanding and generalization. The dataset and code are publicly available.

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.

When fitting the learning data of an individual to algorithm-like learning models, the observations are so dependent and non-stationary that one may wonder what the classical Maximum Likelihood Estimator (MLE) could do, even if it is the usual tool applied to experimental cognition. Our objective in this work is to show that the estimation of the learning rate cannot be efficient if the learning rate is constant in the classical Exp3 (Exponential weights for Exploration and Exploitation) algorithm. Secondly, we show that if the learning rate decreases polynomially with the sample size, then the prediction error and in some cases the estimation error of the MLE satisfy bounds in probability that decrease at a polynomial rate.

The proliferation of large language models has raised growing concerns about their misuse, particularly in cases where AI-generated text is falsely attributed to human authors. Machine-generated content detectors claim to effectively identify such text under various conditions and from any language model. This paper critically evaluates these claims by assessing several popular detectors (RADAR, Wild, T5Sentinel, Fast-DetectGPT, PHD, LogRank, Binoculars) on a range of domains, datasets, and models that these detectors have not previously encountered. We employ various prompting strategies to simulate practical adversarial attacks, demonstrating that even moderate efforts can significantly evade detection. We emphasize the importance of the true positive rate at a specific false positive rate (TPR@FPR) metric and demonstrate that these detectors perform poorly in certain settings, with [email protected] as low as 0%. Our findings suggest that both trained and zero-shot detectors struggle to maintain high sensitivity while achieving a reasonable true positive rate.

Bayesian Neural Networks with Latent Variables (BNN+LVs) capture predictive uncertainty by explicitly modeling model uncertainty (via priors on network weights) and environmental stochasticity (via a latent input noise variable). In this work, we first show that BNN+LV suffers from a serious form of non-identifiability: explanatory power can be transferred between the model parameters and latent variables while fitting the data equally well. We demonstrate that as a result, in the limit of infinite data, the posterior mode over the network weights and latent variables is asymptotically biased away from the ground-truth. Due to this asymptotic bias, traditional inference methods may in practice yield parameters that generalize poorly and misestimate uncertainty. Next, we develop a novel inference procedure that explicitly mitigates the effects of likelihood non-identifiability during training and yields high-quality predictions as well as uncertainty estimates. We demonstrate that our inference method improves upon benchmark methods across a range of synthetic and real data-sets.