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Oct 16

Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation

Deep generative diffusion models are a promising avenue for 3D de novo molecular design in materials science and drug discovery. However, their utility is still limited by suboptimal performance on large molecular structures and limited training data. To address this gap, we explore the design space of E(3)-equivariant diffusion models, focusing on previously unexplored areas. Our extensive comparative analysis evaluates the interplay between continuous and discrete state spaces. From this investigation, we present the EQGAT-diff model, which consistently outperforms established models for the QM9 and GEOM-Drugs datasets. Significantly, EQGAT-diff takes continuous atom positions, while chemical elements and bond types are categorical and uses time-dependent loss weighting, substantially increasing training convergence, the quality of generated samples, and inference time. We also showcase that including chemically motivated additional features like hybridization states in the diffusion process enhances the validity of generated molecules. To further strengthen the applicability of diffusion models to limited training data, we investigate the transferability of EQGAT-diff trained on the large PubChem3D dataset with implicit hydrogen atoms to target different data distributions. Fine-tuning EQGAT-diff for just a few iterations shows an efficient distribution shift, further improving performance throughout data sets. Finally, we test our model on the Crossdocked data set for structure-based de novo ligand generation, underlining the importance of our findings showing state-of-the-art performance on Vina docking scores.

  • 5 authors
·
Sep 29, 2023

Deconstructing Attention: Investigating Design Principles for Effective Language Modeling

The success of Transformer language models is widely credited to their dot-product attention mechanism, which interweaves a set of key design principles: mixing information across positions (enabling multi-token interactions), sequence-dependent activations (where attention weights adapt to each input), a specific mathematical form (dot-product similarities plus softmax weighting), and coupling of queries and keys to evolving hidden states (grounding attention in the current layer). However, the necessity of each of these principles remains largely untested. In this work, we systematically deconstruct attention by designing controlled variants that selectively relax these principles, applied both uniformly across all layers and in hybrid architectures where only some layers retain standard attention. Our empirical analysis reveals that mechanisms for mixing tokens are indispensable, as their absence collapses models to near-random behavior, while the exact mathematical form and sequence dependency can be substantially relaxed, especially when preserved in just a subset of layers. Surprisingly, even variants that fail in isolation can achieve robust performance when interleaved with standard attention, highlighting a cooperative effect. These findings deepen our understanding of what truly underpins attention's effectiveness and open new avenues for simplifying language models without sacrificing performance.

  • 3 authors
·
Oct 13, 2025 2

ProRL: Effective Reinforcement Learning for Proactive Recommendation via Rectified Policy Gradient Estimation

Proactive Recommender Systems (PRSs) aim to guide user preference shift toward target items by generating paths of intermediate recommendations. Reinforcement learning (RL) provides a principled framework for optimizing such sequential decision tasks, as path rewards can naturally capture both short-term acceptance and long-term guidance effectiveness. However, naively applying policy gradients to PRS results in deficient gradient estimation. We identify two deficiencies: (1) path-level rewards decompose into step-level rewards with positive mean, creating a length-dependent bias that causes gradients to favor path extension over meaningful exploration; (2) weighting each step by the entire path-level reward ignores the decomposition structure, leading to high gradient variance. To rectify these two deficiencies, we propose an effective RL framework ProRL with two novel mechanisms for proactive recommendation. First, Stepwise Reward Centering subtracts expected rewards to neutralize length-dependent bias, ensuring that path extension yields zero expected gradient signal. Second, Position-Specific Advantage Estimation leverages the reward decomposition structure to compute step-dependent baselines, reducing gradient variance. Together, these mechanisms yield policy gradients that precisely target path quality. Our experiments on three real-world datasets demonstrate that ProRL significantly outperforms state-of-the-art PRSs. Our code is available at https://github.com/hongruhou89/ProRL.

Predicting Rare Events by Shrinking Towards Proportional Odds

Training classifiers is difficult with severe class imbalance, but many rare events are the culmination of a sequence with much more common intermediate outcomes. For example, in online marketing a user first sees an ad, then may click on it, and finally may make a purchase; estimating the probability of purchases is difficult because of their rarity. We show both theoretically and through data experiments that the more abundant data in earlier steps may be leveraged to improve estimation of probabilities of rare events. We present PRESTO, a relaxation of the proportional odds model for ordinal regression. Instead of estimating weights for one separating hyperplane that is shifted by separate intercepts for each of the estimated Bayes decision boundaries between adjacent pairs of categorical responses, we estimate separate weights for each of these transitions. We impose an L1 penalty on the differences between weights for the same feature in adjacent weight vectors in order to shrink towards the proportional odds model. We prove that PRESTO consistently estimates the decision boundary weights under a sparsity assumption. Synthetic and real data experiments show that our method can estimate rare probabilities in this setting better than both logistic regression on the rare category, which fails to borrow strength from more abundant categories, and the proportional odds model, which is too inflexible.

  • 2 authors
·
May 29, 2023

Eliminating Position Bias of Language Models: A Mechanistic Approach

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

  • 9 authors
·
Jul 1, 2024 1

WPN: An Unlearning Method Based on N-pair Contrastive Learning in Language Models

Generative language models (LMs) offer numerous advantages but may produce inappropriate or harmful outputs due to the harmful knowledge acquired during pre-training. This knowledge often manifests as undesirable correspondences, such as "harmful prompts" leading to "harmful outputs," which our research aims to mitigate through unlearning techniques.However, existing unlearning methods based on gradient ascent can significantly impair the performance of LMs. To address this issue, we propose a novel approach called Weighted Positional N-pair (WPN) Learning, which leverages position-weighted mean pooling within an n-pair contrastive learning framework. WPN is designed to modify the output distribution of LMs by eliminating specific harmful outputs (e.g., replacing toxic responses with neutral ones), thereby transforming the model's behavior from "harmful prompt-harmful output" to "harmful prompt-harmless response".Experiments on OPT and GPT-NEO LMs show that WPN effectively reduces the proportion of harmful responses, achieving a harmless rate of up to 95.8\% while maintaining stable performance on nine common benchmarks (with less than 2\% degradation on average). Moreover, we provide empirical evidence to demonstrate WPN's ability to weaken the harmful correspondences in terms of generalizability and robustness, as evaluated on out-of-distribution test sets and under adversarial attacks.

  • 4 authors
·
Aug 17, 2024

Machine Learning with Multitype Protected Attributes: Intersectional Fairness through Regularisation

Ensuring equitable treatment (fairness) across protected attributes (such as gender or ethnicity) is a critical issue in machine learning. Most existing literature focuses on binary classification, but achieving fairness in regression tasks-such as insurance pricing or hiring score assessments-is equally important. Moreover, anti-discrimination laws also apply to continuous attributes, such as age, for which many existing methods are not applicable. In practice, multiple protected attributes can exist simultaneously; however, methods targeting fairness across several attributes often overlook so-called "fairness gerrymandering", thereby ignoring disparities among intersectional subgroups (e.g., African-American women or Hispanic men). In this paper, we propose a distance covariance regularisation framework that mitigates the association between model predictions and protected attributes, in line with the fairness definition of demographic parity, and that captures both linear and nonlinear dependencies. To enhance applicability in the presence of multiple protected attributes, we extend our framework by incorporating two multivariate dependence measures based on distance covariance: the previously proposed joint distance covariance (JdCov) and our novel concatenated distance covariance (CCdCov), which effectively address fairness gerrymandering in both regression and classification tasks involving protected attributes of various types. We discuss and illustrate how to calibrate regularisation strength, including a method based on Jensen-Shannon divergence, which quantifies dissimilarities in prediction distributions across groups. We apply our framework to the COMPAS recidivism dataset and a large motor insurance claims dataset.

  • 5 authors
·
Sep 9, 2025

Beyond Uniform Token-Level Trust Region in LLM Reinforcement Learning

Reinforcement learning with verifiable rewards (RLVR) has become standard for improving LLM reasoning. However, existing PPO-style trust-region mechanisms remain position-agnostic by enforcing uniform thresholds across all tokens independently. This pointwise treatment conflicts with autoregressive generation in two critical ways. First, uniform thresholds ignore autoregressive asymmetry. Early-stage deviations produce compounding sequence-level drift, causing static thresholds to under-regulate early divergence and excessively constrain late-stage exploration. Second, evaluating token-level divergence in isolation overlooks cumulative prefix drift, granting the same divergence allowance regardless of how far the conditioning history has already deviated from the rollout policy. To address this limitation, we propose CPPO (Cumulative Prefix-divergence Policy Optimization), a token-level masking rule that aligns updates with a finite-horizon policy-improvement bound via two coupled mechanisms. First, a position-weighted threshold imposes stricter limits at early positions whose effects persist longer, relaxing constraints for late-stage tokens. Second, a cumulative prefix budget tracks historical deviations, dynamically restricting further token-level deviation to prevent compounding errors along the prefix. Empirically, CPPO enhances training stability and significantly improves reasoning accuracy across various model scales.

Kernelized Sparse Fine-Tuning with Bi-level Parameter Competition for Vision Models

Parameter-efficient fine-tuning (PEFT) aims to adapt pre-trained vision models to downstream tasks. Among PEFT paradigms, sparse tuning achieves remarkable performance by adjusting only the weights most relevant to downstream tasks, rather than densely tuning the entire weight matrix. Current methods follow a two-stage paradigm. First, it locates task-relevant weights by gradient information, which overlooks the parameter adjustments during fine-tuning and limits the performance. Second, it updates only the located weights by applying a sparse mask to the gradient of the weight matrix, which results in high memory usage due to the storage of all weight matrices in the optimizer. In this paper, we propose a one-stage method named SNELLA to overcome the above limitations. For memory usage, SNELLA selectively updates the weight matrix by adding it to another sparse matrix that is merged by two low-rank learnable matrices. We extend the low-rank decomposition by introducing nonlinear kernel functions, thereby increasing the rank of the resulting merged matrix to prevent the interdependency among weight updates, enabling better adaptation to downstream tasks. For locating task-relevant weights, we propose an adaptive bi-level sparsity allocation mechanism that encourages weights to compete across and inside layers based on their importance scores in an end-to-end manner. Extensive experiments are conducted on classification, segmentation, and generation tasks using different pre-trained vision models. The results show that SNELLA achieves SOTA performance with low memory usage. Notably, SNELLA obtains 1.8% (91.9% v.s. 90.1%) higher Top-1 accuracy on the FGVC benchmark compared to SPT-LoRA. Compared to previous methods, SNELLA achieves a memory reduction of 31.1%-39.9% across models with parameter scales from 86M to 632M. Our source codes are available at https://github.com/ssfgunner/SNELL.

  • 4 authors
·
Oct 27, 2025

Oscillation-free Quantization for Low-bit Vision Transformers

Weight oscillation is an undesirable side effect of quantization-aware training, in which quantized weights frequently jump between two quantized levels, resulting in training instability and a sub-optimal final model. We discover that the learnable scaling factor, a widely-used de facto setting in quantization aggravates weight oscillation. In this study, we investigate the connection between the learnable scaling factor and quantized weight oscillation and use ViT as a case driver to illustrate the findings and remedies. In addition, we also found that the interdependence between quantized weights in query and key of a self-attention layer makes ViT vulnerable to oscillation. We, therefore, propose three techniques accordingly: statistical weight quantization (rm StatsQ) to improve quantization robustness compared to the prevalent learnable-scale-based method; confidence-guided annealing (rm CGA) that freezes the weights with high confidence and calms the oscillating weights; and query-key reparameterization (rm QKR) to resolve the query-key intertwined oscillation and mitigate the resulting gradient misestimation. Extensive experiments demonstrate that these proposed techniques successfully abate weight oscillation and consistently achieve substantial accuracy improvement on ImageNet. Specifically, our 2-bit DeiT-T/DeiT-S algorithms outperform the previous state-of-the-art by 9.8% and 7.7%, respectively. Code and models are available at: https://github.com/nbasyl/OFQ.

  • 3 authors
·
Feb 4, 2023

How connectivity structure shapes rich and lazy learning in neural circuits

In theoretical neuroscience, recent work leverages deep learning tools to explore how some network attributes critically influence its learning dynamics. Notably, initial weight distributions with small (resp. large) variance may yield a rich (resp. lazy) regime, where significant (resp. minor) changes to network states and representation are observed over the course of learning. However, in biology, neural circuit connectivity could exhibit a low-rank structure and therefore differs markedly from the random initializations generally used for these studies. As such, here we investigate how the structure of the initial weights -- in particular their effective rank -- influences the network learning regime. Through both empirical and theoretical analyses, we discover that high-rank initializations typically yield smaller network changes indicative of lazier learning, a finding we also confirm with experimentally-driven initial connectivity in recurrent neural networks. Conversely, low-rank initialization biases learning towards richer learning. Importantly, however, as an exception to this rule, we find lazier learning can still occur with a low-rank initialization that aligns with task and data statistics. Our research highlights the pivotal role of initial weight structures in shaping learning regimes, with implications for metabolic costs of plasticity and risks of catastrophic forgetting.

  • 6 authors
·
Oct 12, 2023

Is Position Bias in Dense Retrievers Built In-or Learned from Data?

Dense retrievers exhibit positional bias, favoring documents whose query-relevant information appears near the beginning and degrading retrieval performance when the information appears later. While prior work on positional bias in dense retrievers has largely focused on architectural explanations, we study how the positional distribution of evidence in training data affects retrieval-level bias direction. To test this, we construct synthetic position-targeted training sets in which query-relevant evidence appears at the beginning, middle, or end of documents, and fine-tune eight architecturally diverse pretrained models under position-skewed and balanced training distributions. At the ranking level, we observe a strong directional pattern across the examined models: skewed training distributions favor evidence at the corresponding positions. Position-balanced training reduces positional sensitivity by 57--87\% on position-aware benchmarks, with competitive mean retrieval performance in our controlled setting. Representation-level analyses further suggest that fine-tuning often reshapes learned positional preferences, although pre-existing architectural or pretraining-specific tendencies persist in some models. These results identify training-position distribution as a major controllable factor in retrieval-level position bias and suggest balanced data curation as a practical mitigation strategy.

sionic-ai sionic-ai
·
May 25 2

Parameter-Efficient Sparsity for Large Language Models Fine-Tuning

With the dramatically increased number of parameters in language models, sparsity methods have received ever-increasing research focus to compress and accelerate the models. While most research focuses on how to accurately retain appropriate weights while maintaining the performance of the compressed model, there are challenges in the computational overhead and memory footprint of sparse training when compressing large-scale language models. To address this problem, we propose a Parameter-efficient Sparse Training (PST) method to reduce the number of trainable parameters during sparse-aware training in downstream tasks. Specifically, we first combine the data-free and data-driven criteria to efficiently and accurately measure the importance of weights. Then we investigate the intrinsic redundancy of data-driven weight importance and derive two obvious characteristics i.e., low-rankness and structuredness. Based on that, two groups of small matrices are introduced to compute the data-driven importance of weights, instead of using the original large importance score matrix, which therefore makes the sparse training resource-efficient and parameter-efficient. Experiments with diverse networks (i.e., BERT, RoBERTa and GPT-2) on dozens of datasets demonstrate PST performs on par or better than previous sparsity methods, despite only training a small number of parameters. For instance, compared with previous sparsity methods, our PST only requires 1.5% trainable parameters to achieve comparable performance on BERT.

  • 7 authors
·
May 22, 2022

Flexible Model Aggregation for Quantile Regression

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

  • 5 authors
·
Feb 26, 2021

From Reweighting to Rewriting: Unlocking the Intervention Effects of Influential Samples in Training Data Attribution

Training data attribution (TDA) aims to identify training examples that shape model behavior, but its intervention value depends on both which examples are selected and how they are modified. Influence functions (IF) estimate behavioral changes under infinitesimal reweighting, yet IF-selected examples often show limited advantages over random selection under conventional weight-based interventions. This raises the question of whether influential examples lack intervention value or whether reweighting fails to realize their behavioral leverage.We introduce influence-guided response rewriting, which uses IF to identify intervention targets and replaces their responses with behavior-aligned or behavior-opposed supervision while keeping instructions fixed. Across four open-weight LLMs, we compare rewriting and reweighting on the same influence-selected examples using epistemic abstention as our primary testbed. Response rewriting produces stronger, more persistent, and bidirectional behavioral shifts, while reweighting the same examples yields weak and inconsistent effects. Further analyses show that influence-selected examples provide greater rewriting leverage than alternative selectors, with changes remaining concentrated on target-relevant behaviors. The same qualitative contrast extends to safety refusal. These results distinguish the local reweighting effects captured by influence estimates from the broader intervention leverage of the examples they identify, motivating intervention-aware evaluation of TDA methods.

Bone: Block Affine Transformation as Parameter Efficient Fine-tuning Methods for Large Language Models

Low-Rank Adaptation (LoRA) has achieved remarkable training results by freezing the original weights and training only low-rank matrices, establishing itself as the predominant fine-tuning method for LLMs. In pursuit of performance closer to full-parameter training, a series of LoRA variants have emerged, such as LoRA+, PISSA, Olora, and LoRA-GA. However, these improvements complicate the initial setup of model training and increase initialization time. More importantly, they overlook the internal interactions of the original weight information. To address these issues, we introduce a novel theory, ``Weight Guide'' aimed at continuously guiding trainable matrices through the original weights during training to enhance the utilization of weight information. Based on this theory, we designed a new PEFT technique called Bone (Block Affine), which not only enhances the utilization of original weight information but also emphasizes the internal connections between weights, leading to faster convergence and better data fitting. Experimental comparisons across two different LLM architectures (LLaMA2, RWKV6) and various parameter scales demonstrate that the Bone structure can achieve rapid convergence and superior data fitting without the need for complex initialization. For example, when fine-tuning LLaMA2-7B on the MetaMathQA dataset and validating on GSM8k and math benchmarks, Bone achieved fine-tuning scores of 49.36 and 8.8, respectively, outperforming PISSA by 5.84\% and 1.96\%.

  • 1 authors
·
Sep 19, 2024 1

LIFT the Veil for the Truth: Principal Weights Emerge after Rank Reduction for Reasoning-Focused Supervised Fine-Tuning

Recent studies have shown that supervised fine-tuning of LLMs on a small number of high-quality datasets can yield strong reasoning capabilities. However, full fine-tuning (Full FT), while powerful, is computationally expensive and susceptible to overfitting and catastrophic forgetting, particularly when data is limited. Sparse fine-tuning, which previously achieved notable success by updating only a small subset of model parameters, offers a promising trade-off between efficiency and effectiveness. Yet, it has lagged behind in the LLM era due to the difficulty of identifying parameters truly critical for reasoning. In this work, we state that weights with the largest magnitude after low-rank approximation are critical weights for fine-tuning, which we call Principal Weights. Surprisingly, while magnitude-based sparse fine-tuning performs poorly as a baseline on LLM fine-tuning, it becomes highly effective after rank reduction. These insights motivate our method: Low-rank Informed Sparse Fine-Tuning (LIFT). LIFT only updates the top 5% Principal Weights throughout training and consistently achieves better performance on reasoning tasks than Full FT, while maintaining memory efficiency on par with popular parameter-efficient fine-tuning methods. In addition to strong performance on target domains such as arithmetic reasoning, LIFT also retains up to 20% more source-domain knowledge, compared to Full FT and LoRA. Our code is available at: https://github.com/zihanghliu/LIFT.

  • 8 authors
·
May 31, 2025 2

VLAD-BuFF: Burst-aware Fast Feature Aggregation for Visual Place Recognition

Visual Place Recognition (VPR) is a crucial component of many visual localization pipelines for embodied agents. VPR is often formulated as an image retrieval task aimed at jointly learning local features and an aggregation method. The current state-of-the-art VPR methods rely on VLAD aggregation, which can be trained to learn a weighted contribution of features through their soft assignment to cluster centers. However, this process has two key limitations. Firstly, the feature-to-cluster weighting does not account for over-represented repetitive structures within a cluster, e.g., shadows or window panes; this phenomenon is also referred to as the `burstiness' problem, classically solved by discounting repetitive features before aggregation. Secondly, feature to cluster comparisons are compute-intensive for state-of-the-art image encoders with high-dimensional local features. This paper addresses these limitations by introducing VLAD-BuFF with two novel contributions: i) a self-similarity based feature discounting mechanism to learn Burst-aware features within end-to-end VPR training, and ii) Fast Feature aggregation by reducing local feature dimensions specifically through PCA-initialized learnable pre-projection. We benchmark our method on 9 public datasets, where VLAD-BuFF sets a new state of the art. Our method is able to maintain its high recall even for 12x reduced local feature dimensions, thus enabling fast feature aggregation without compromising on recall. Through additional qualitative studies, we show how our proposed weighting method effectively downweights the non-distinctive features. Source code: https://github.com/Ahmedest61/VLAD-BuFF/.

  • 5 authors
·
Sep 28, 2024

Jeva: System One Models from First Principles

System one models enable direct, low-latency decision-making. Yet recent practice of predicting an answer from serialized text does not, by itself, respect the structure of a decision problem. We argue that current designs underemphasize four important structural requirements. (i) null-aware: Models should distinguish answer absence from uncertainty among candidates; (ii) permutation-invariant: Reordering alternatives should not change the decision; (iii) option-scalable: Growing candidate sets should not require redefining the output space; (iv) cacheable: Request-independent computation over recurring alternatives should be reusable across requests. We introduce Jeva, a decision-native architecture that addresses these requirements jointly. A shared encoder independently represents the request and each option, while a compact decision stack refines only the request state against immutable option memory. Symmetric aggregation yields permutation-equivariant probabilities; shared scoring accommodates variable-size candidate sets. A separate coverage estimate distinguishes answer absence from candidate competition, enabling explicit null outcomes. Request-independent option representations and layer projections support reuse across newly assembled sets. These mechanisms unify Choice, Noul, and Score outputs. Across evaluations, Jeva combines strong typed-decision performance with near-perfect null detection and no decision flips under any tested permutations. It scales to thousands of candidates and substantially reduces latency through cross-request reuse without changing decisions.

Preference Learning Algorithms Do Not Learn Preference Rankings

Preference learning algorithms (e.g., RLHF and DPO) are frequently used to steer LLMs to produce generations that are more preferred by humans, but our understanding of their inner workings is still limited. In this work, we study the conventional wisdom that preference learning trains models to assign higher likelihoods to more preferred outputs than less preferred outputs, measured via ranking accuracy. Surprisingly, we find that most state-of-the-art preference-tuned models achieve a ranking accuracy of less than 60% on common preference datasets. We furthermore derive the idealized ranking accuracy that a preference-tuned LLM would achieve if it optimized the DPO or RLHF objective perfectly. We demonstrate that existing models exhibit a significant alignment gap -- i.e., a gap between the observed and idealized ranking accuracies. We attribute this discrepancy to the DPO objective, which is empirically and theoretically ill-suited to fix even mild ranking errors in the reference model, and derive a simple and efficient formula for quantifying the difficulty of learning a given preference datapoint. Finally, we demonstrate that ranking accuracy strongly correlates with the empirically popular win rate metric when the model is close to the reference model used in the objective, shedding further light on the differences between on-policy (e.g., RLHF) and off-policy (e.g., DPO) preference learning algorithms.

  • 7 authors
·
May 29, 2024

GUI-Primitives: Diagnosing Spatial Reasoning Failures in Vision-Language GUI Grounding

Computer-use agents ground natural-language instructions in screenshots to locate interface elements, yet existing benchmarks do not isolate whether models bind relational language to the correct element. We introduce GUI-Primitives, a 994-item benchmark of contrastive instruction pairs over seven spatial relations in graphical user interfaces (left/right, above/below, containment, alignment, proximity, list ordinal, occlusion). Each pair holds the screenshot and anchor fixed while changing the relation expression, so the correct target moves between two designated candidates. Five annotators validate a 196-item subset (κ= 0.94 well-formedness; κ= 0.79 target selection). Nineteen vision-language models reach at most 32% strict point-in-box accuracy. Because models emit unconstrained coordinates, we classify each prediction by the candidate region it falls within. Predictions fall outside both candidates on 60-92% of items. Conditional on falling within a candidate region, target selection reaches 0.82-0.90 for horizontal position, vertical position, proximity, and list ordinal, but does not differ significantly from 0.50 for containment and occlusion: most failures reflect candidate localization rather than relation understanding. Across ten models, benchmark accuracy correlates with ScreenSpot-Pro accuracy (Spearman ρ= +0.74), an exploratory association at this sample size. Marking the two designated candidates raises selection accuracy by 35--57 percentage points, an oracle diagnostic that supplies the candidate set rather than a deployable method. We release the benchmark, predictions, and code.

Portfolio Risk Bounds without Cross-Asset Return Covariances: Distributional Fields from Language-Model Representations

Portfolio risk assessment ordinarily relies on reliable estimates of cross-asset return covariances, which are difficult to obtain in short, high-dimensional panels. We show that firm-level distribution-valued characteristics can instead provide one-sided certificates of portfolio risk. Under maintained links from characteristics to systematic exposures and from exposures to returns, multi-firm Wasserstein-2 dispersion yields a sharp upper bound on systematic portfolio variance and a corresponding bound for standardized returns. A weighted pairwise relaxation produces an objective that is convex under a checkable condition and requires marginal volatility scales but no cross-asset return covariances. With zero firm-specific slack, the common-map scale changes the certified variance reduction but not the normalized allocation, which depends only on observed information geometry. In a 52-firm panel from 2018-2022, an allocation constructed from Qwen3-Embedding-8B news representations lies between the 0.69th and 1.33rd in-sample variance percentiles across four prespecified capped portfolio populations; equal risk weighting lies between the 21.1st and 28.6th percentiles. The lower in-sample variance ranking relative to equal risk also appears across the reported frozen language-model representations. The framework therefore distribution-valued firm information into a coherent risk bound and an implementable allocation rule constructed without cross-asset return covariances.

QTEA: Ternary LLMs with Sparse Residual Salient Weight and By-Column Optimization

Weight-only post-training quantization (PTQ) can alleviate the computational burden of serving large language models (LLMs) at scale. However, existing PTQ methods often fail to generalize across models and suffer severe accuracy loss below 2 bits. Many leverage unstructured sparsity to mitigate this loss, but at the cost of regularity and GPU-friendly execution. We present QTEA, a sub-2-bit PTQ framework that quantizes weights into ternary values and uses salient weights as residual error compensators. To maintain hardware efficiency, residuals are assigned to selected columns with semi-structured \(1{:}4\) sparsity within the salient columns. We further add column-wise rescale refinement to GPTQ-style column-by-column quantization, alternately updating per-column scales and ternary assignments to reduce reconstruction error. We also identify order-dependent error propagation in GPTQ and introduce error decay to attenuate late-stage error accumulation. On Qwen3-14B, QTEA compresses all weights to an effective 1.7 bits per weight while improving average accuracy over the strongest ternary PTQ baseline by 16.7\%. It also achieves 1.40\(\times\) and 2.61\(\times\) lower perplexity on WikiText and C4 respectively. This trend holds on Llama3-8B, where QTEA obtains a 6.6\% accuracy gain and 1.34\(\times\)/1.95\(\times\) lower perplexity on the same datasets. Finally, we develop a lookup-table based kernel that achieves 7.2\(\times\) faster per-token generation over an FP16 baseline. Code is available at https://github.com/Intelligent-Microsystems-Lab/QTEA.

  • 6 authors
·
Aug 30

LLMs Contain Multitudes: How Deployment Context Reshapes Model-Level Preferences and Values

Large language models (LLMs) are increasingly characterised in recent evaluation work as having stable, model-level preference and value systems. However, accompanying robustness checks are limited to incidental prompt perturbations such as syntax variation and option reordering. This leaves open whether the measured properties survive when the surrounding task context changes, as it does in most real deployments. We test this directly across two established pairwise paradigms: ranking country preferences and eliciting utility judgements. In both, we make the deployment context -- the high-level task the model is performing while making concrete value-dependent choices -- our controlled variable, varied across framings such as writing a Reddit post or a news article. Across five LLMs and over 1.2M pairwise decisions, deployment context produces variation far larger than prompt paraphrasing and temperature controls. In country preference rankings over 15 countries, context induces widespread, statistically significant rank shifts; the aggregate Global North favouritism reported in prior work is itself context-dependent, with each model's bias shifting systematically across contexts. In utility elicitation over 50 outcomes, broad cross-category ordering is preserved, but fine-grained rankings within domains vary substantially, and cardinal exchange rates between outcomes (e.g. how many lives in one region equal one in another) shift by a factor of 2.47 at the median. Reported model-level preferences and utilities are therefore better understood as context-conditioned measurements than fixed model-level properties: safety guarantees obtained under one framing provide limited assurance in another.

  • 5 authors
·
Jun 10

Subset Selection Based On Multiple Rankings in the Presence of Bias: Effectiveness of Fairness Constraints for Multiwinner Voting Score Functions

We consider the problem of subset selection where one is given multiple rankings of items and the goal is to select the highest ``quality'' subset. Score functions from the multiwinner voting literature have been used to aggregate rankings into quality scores for subsets. We study this setting of subset selection problems when, in addition, rankings may contain systemic or unconscious biases toward a group of items. For a general model of input rankings and biases, we show that requiring the selected subset to satisfy group fairness constraints can improve the quality of the selection with respect to unbiased rankings. Importantly, we show that for fairness constraints to be effective, different multiwinner score functions may require a drastically different number of rankings: While for some functions, fairness constraints need an exponential number of rankings to recover a close-to-optimal solution, for others, this dependency is only polynomial. This result relies on a novel notion of ``smoothness'' of submodular functions in this setting that quantifies how well a function can ``correctly'' assess the quality of items in the presence of bias. The results in this paper can be used to guide the choice of multiwinner score functions for the subset selection setting considered here; we additionally provide a tool to empirically enable this.

  • 5 authors
·
Jun 16, 2023

Training LLM Judges from Language Feedback via Position-Selective Self-Distillation

We study training LLM judges from natural language feedback, especially for subjective tasks where the verdict depends strongly on which evaluation criteria the judge invokes and how it weighs them. The dominant approach, outcome-supervised RL (e.g., GRPO), credits every token in the rollout with a single scalar determined only by the accuracy of the final verdict, providing no separate credit at the criterion-choice tokens and ignoring the rich language feedback (e.g., preference rationales) that naturally accompanies preference labels. Self-Distillation (SD) is one natural way to use this language feedback: the same model, conditioned on this feedback, acts as a teacher providing dense, position-level supervision. However, not all positions carry equally useful signal. Using the per-position entropy shift between teacher and student, we identify two regimes: context sharpening, where the teacher concentrates probability on a particular feedback-aligned criterion expression, and context spreading, where the teacher distributes probability across multiple feedback-aligned alternatives. We interpret these patterns as follows: sharpening encourages memorization of a particular criterion expression, whereas spreading promotes semantic understanding by preserving these alternatives. Motivated by this asymmetry, we introduce position masking based on the entropy shift that retains the lower tail of the entropy-shift distribution. Experiments show that masking higher-entropy-shift positions improves out-of-distribution generalization over naive SD. The resulting self-distilled judges outperform judges trained with outcome-supervised RL by 2-9 percentage points on the evaluated subjective subcategories, while remaining competitive on objective ones.

amazon Amazon
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Sep 29 1

Enabling Token-wise Importance Sampling in Off-Policy RLVR with Proximal KL Regularization

Off-policy data in reinforcement learning with verifiable rewards (RLVR) can arise from asynchronous generation, rollout-training mismatch, and response reuse. Token-wise importance weighting avoids multiplying likelihood ratios across a response but generally biases policy gradients. We prove that, under coverage and local expressiveness conditions, full future KL credit makes the exact proximal optimizer the update's unique stationary policy, even for mixtures of older policies, without full-response weights or a fitted critic. We further establish convergence of continuous-time tabular population updates under persistent coverage and time-varying behavior policies, and a finite-sample reward guarantee for linear logistic models under additional assumptions. These results motivate Proximal KL, a practical off-policy RLVR method that separates the proximal reference from the sampling policy and replaces PPO clipping with bounded future KL credit. Across all seven matched off-policy comparisons on Qwen3-1.7B and Qwen3-4B, spanning two learning rates, response reuse, and rollout staleness, Proximal KL outperforms GRPO in micro-averaged accuracy over eight math benchmarks by up to 2.58%. A separate on-policy comparison yields comparable aggregate accuracy. In periodic-refresh experiments, Proximal KL avoids the collapses observed in PG and CISPO, exceeds GRPO's training accuracy, and reaches higher accuracy in fewer policy updates. Ablations show that token-wise correction outperforms sequence-level and unweighted controls. With token-wise correction retained, future KL feedback reduces sensitivity to the tested baseline perturbation relative to PPO clipping. A finite future horizon improves AIME24 mean@16 and pass@16 over the full tail, while fixed-policy measurements show that truncation reduces correction variance over the tested horizons.

Learning to Optimize Multi-Objective Alignment Through Dynamic Reward Weighting

Prior works in multi-objective reinforcement learning typically use linear reward scalarization with fixed weights, which provably fail to capture non-convex Pareto fronts and thus yield suboptimal results. This limitation becomes especially critical in online preference alignment for large language models. Here, stochastic trajectories generated by parameterized policies create highly non-linear and non-convex mappings from parameters to objectives that no single static weighting scheme can find optimal trade-offs. We address this limitation by introducing dynamic reward weighting, which adaptively adjusts reward weights during the online reinforcement learning process. Unlike existing approaches that rely on fixed-weight interpolation, our dynamic weighting continuously balances and prioritizes objectives in training, facilitating effective exploration of Pareto fronts in objective space. We introduce two approaches of increasing sophistication and generalizability: (1) hypervolume-guided weight adaptation and (2) gradient-based weight optimization, offering a versatile toolkit for online multi-objective alignment. Our extensive experiments demonstrate their compatibility with commonly used online reinforcement learning algorithms (including GRPO, REINFORCE, and RLOO), effectiveness across multiple mathematical reasoning datasets, and applicability to different model families, consistently achieving Pareto dominant solutions with fewer training steps than fixed-weight linear scalarization baselines.

One Initialization to Rule them All: Fine-tuning via Explained Variance Adaptation

Foundation models (FMs) are pre-trained on large-scale datasets and then fine-tuned on a downstream task for a specific application. The most successful and most commonly used fine-tuning method is to update the pre-trained weights via a low-rank adaptation (LoRA). LoRA introduces new weight matrices that are usually initialized at random with a uniform rank distribution across model weights. Recent works focus on weight-driven initialization or learning of adaptive ranks during training. Both approaches have only been investigated in isolation, resulting in slow convergence or a uniform rank distribution, in turn leading to sub-optimal performance. We propose to enhance LoRA by initializing the new weights in a data-driven manner by computing singular value decomposition on minibatches of activation vectors. Then, we initialize the LoRA matrices with the obtained right-singular vectors and re-distribute ranks among all weight matrices to explain the maximal amount of variance and continue the standard LoRA fine-tuning procedure. This results in our new method Explained Variance Adaptation (EVA). We apply EVA to a variety of fine-tuning tasks ranging from language generation and understanding to image classification and reinforcement learning. EVA exhibits faster convergence than competitors and attains the highest average score across a multitude of tasks per domain.

  • 6 authors
·
Oct 9, 2024 2

Training LLMs to Enforce Multi-Level Instruction Hierarchies via Gravity-Weighted Direct Preference Optimization

Production LLMs receive instructions from sources with very different levels of trust, yet attend to every token with uniform architectural privilege. This is the structural vulnerability that enables malicious prompt injections and, more broadly, leaves models without a principled way to resolve conflicts between legitimate but competing instructions. A common training-based response is to teach models an explicit instruction hierarchy; existing approaches, however, formalize hierarchies of only three or four levels, treat all violations as equally severe, and rarely evaluate the full set of pairwise level interactions. We formalize a k-level instruction hierarchy problem and instantiate it for k=5, yielding ten pairwise priority relations that a compliant model must enforce. We then introduce Gravity-Weighted DPO (GW-DPO), a preference-optimization objective whose per-sample offset scales with the structural distance between conflicting levels under a linear or bilateral schedule, the latter weighting severity by both the privilege gap and the privilege of the victim level. Combined with hierarchy-specific delimiter tokens (Chen et al., 2025) and Instructional Segment Embeddings (ISE; Wu et al., 2025), GW-DPO with the bilateral schedule Pareto-improves over standard DPO and the linear variant on Llama-3.1-8B-Instruct, raising macro pairwise priority adherence while keeping over-refusal at half the standard DPO rate. Ablations isolate ISE as a refusal-threshold calibrator and recast five- versus three-level training as a generality-specialization tradeoff.

  • 2 authors
·
Jun 8

When Does Dense Retrieval Need Asymmetric Geometry? A Bias-Variance Theory of Shared and Dual Projections

Dense retrieval powers retrieval-augmented generation, semantic search, and question answering, yet the theoretical basis for choosing between shared and dual query-document projections remains unclear. We introduce a bias-variance theory for low-rank bilinear scoring. Shared projections induce positive-semidefinite operators, whereas dual projections realize arbitrary low-rank operators. We derive their exact approximation gap and prove a local Gaussian boundary: dual has lower risk exactly when squared directional signal exceeds the estimation cost of its additional degrees of freedom. This boundary motivates the Cross-fitted Asymmetry Risk Selector (CARS), which estimates reproducible directional signal from training pairs; its Gaussian counterpart admits exact selection-power and regret formulas. Guided by the theory, we run retrieval experiments across multiple datasets and embedding models. The mean Dual-minus-Shared NDCG@10 advantage more than doubles as query rotation increases from 0 degrees to 90 degrees. In the rank-sample-size grids, Shared wins 13 of 16 cells at n=32, whereas Dual wins all 32 cells at n=1024 and n=2048. Consistent with this shift, all 168 comparable operator-risk curves move toward Dual as training data grow. Compared to the two fixed-geometry baselines, CARS reduces held-out regret by 49-96% and achieves 90.1% mean geometry-selection accuracy.

Token-Weighted Multi-Target Learning for Generative Recommenders with Curriculum Learning

Generative recommender systems have recently attracted attention by formulating next-item prediction as an autoregressive sequence generation task. However, most existing methods optimize standard next-token likelihood and implicitly treat all tokens as equally informative, which is misaligned with semantic-ID-based generation. Accordingly, we propose two complementary information-gain-based token-weighting strategies tailored to generative recommendation with semantic IDs. Front-Greater Weighting captures conditional semantic information gain by prioritizing early tokens that most effectively reduce candidate-item uncertainty given their prefixes and encode coarse semantics. Frequency Weighting models marginal information gain under long-tailed item and token distributions, upweighting rare tokens to counteract popularity bias. Beyond individual strategies, we introduce a multi-target learning framework with curriculum learning that jointly optimizes the two token-weighted objectives alongside standard likelihood, enabling stable optimization and adaptive emphasis across training stages. Extensive experiments on benchmark datasets show that our method consistently outperforms strong baselines and existing token-weighting approaches, with improved robustness, strong generalization across different semantic-ID constructions, and substantial gains on both head and tail items. Code is available at https://github.com/CHIUWEINING/Token-Weighted-Multi-Target-Learning-for-Generative-Recommenders-with-Curriculum-Learning.

  • 3 authors
·
Jan 24

Risk-Set Transported Synthetic Control with Difference-in-Differences Adjustment under Staggered Treatment Adoption

In staggered treatment-adoption designs, later-treated units are valid controls for an earlier-treated cohort only until their own treatment begins, so the admissible donor set contracts with event time. Fixing the donor pool at the longest horizon discards temporarily eligible donors, whereas re-estimating synthetic-control weights independently at each horizon can make the counterfactual unstable as donor composition changes. We propose Risk-Set Transported Synthetic Control with Difference-in-Differences Adjustment (RT-SC-DiD). For each cohort and event-time horizon, the estimator fits weights on the currently untreated donors while shrinking them toward a transported reference that reallocates the weight of exiting donors to similar surviving donors. A DiD baseline correction removes persistent level differences. We characterize distortion from horizon-by-horizon reoptimization, derive the loading change induced by naive deletion and renormalization, and give a conditional recursive bound for error propagation under an explicitly assumed regularity condition on the transport map. We also introduce donor-support diagnostics and a donor-only placebo procedure for selecting the transport penalty. In an 80-replication pilot comparison and a separate 40-replication-per-value sensitivity analysis, intermediate transport regularization reduces average RMSE relative to independent horizon-specific estimation and strong anchoring. This evidence supports the method's bias-variance motivation but is not a proved guarantee. RT-SC-DiD is intended for settings where later-treated units provide useful short-horizon information and donor support contracts materially over time. Existing staggered synthetic-control and synthetic difference-in-differences methods do not, to our knowledge, explicitly regularize within-cohort weight sequences toward transported references as risk sets contract.

  • 1 authors
·
Jul 28

Confronting Reward Model Overoptimization with Constrained RLHF

Large language models are typically aligned with human preferences by optimizing reward models (RMs) fitted to human feedback. However, human preferences are multi-faceted, and it is increasingly common to derive reward from a composition of simpler reward models which each capture a different aspect of language quality. This itself presents a challenge, as it is difficult to appropriately weight these component RMs when combining them. Compounding this difficulty, because any RM is only a proxy for human evaluation, this process is vulnerable to overoptimization, wherein past a certain point, accumulating higher reward is associated with worse human ratings. In this paper, we perform, to our knowledge, the first study on overoptimization in composite RMs, showing that correlation between component RMs has a significant effect on the locations of these points. We then introduce an approach to solve this issue using constrained reinforcement learning as a means of preventing the agent from exceeding each RM's threshold of usefulness. Our method addresses the problem of weighting component RMs by learning dynamic weights, naturally expressed by Lagrange multipliers. As a result, each RM stays within the range at which it is an effective proxy, improving evaluation performance. Finally, we introduce an adaptive method using gradient-free optimization to identify and optimize towards these points during a single run.

  • 7 authors
·
Oct 6, 2023

Understanding the Weight Averaging Mechanism in LLM Training for Post-Training Quantization

Large language models (LLMs) are typically pretrained in high precision but increasingly deployed with low-precision post-training quantization (PTQ). Recent studies have shown that using weight averaging during pretraining can improve PTQ performance compared with learning-rate decay, suggesting that it might provide a simple way to improve the pretraining-to-quantization transition. But the mechanism behind weight averaging remains insufficiently explained. This leads to inconsistent and fragile performance gains, thereby preventing practitioners from applying such a technique confidently. As a response, we formulate weight averaging as a trade-off between retaining training progress and improving robustness under perturbation. We further derive a continuous family of averaging kernels that unifies conventional strategies and achieves the Pareto frontier between the two competing goals. Critically, a theoretical framework for performing weight averaging under PTQ is developed. It can be shown that coarser quantization is more susceptible to perturbations, whereas finer quantization could be less affected. Thus, our results could provide unified theoretical guidance for performing weight averaging under different PTQ conditions. Experiments validate both the predicted behavior and the proposed averaging strategy. Code is available at https://github.com/MOFA-LAB/weight-averaging-for-ptq.

  • 6 authors
·
Oct 3

F-GRPO: Factorized Group-Relative Policy Optimization for Unified Candidate Generation and Ranking

Traditional retrieval pipelines optimize utility through stages of candidate retrieval and reranking, where ranking operates over a predefined candidate set. Large Language Models (LLMs) broaden this into a generative process: given a candidate pool, an LLM can generate a subset and order it within a single autoregressive pass. However, this flexibility introduces a new optimization challenge: the model must search a combinatorial output space while receiving utility feedback only after the full ranked list is generated. Because this feedback is defined over the completed sequence, it cannot distinguish whether a poor result arises from failing to generate a relevant subset or from failing to rank that subset correctly. This credit assignment gap makes end-to-end optimization unstable and sample-inefficient. Existing systems often address this by separating candidate generation from ranking. However, such decoupling remains misaligned with downstream utility because ranking is limited by the candidate set it receives. To bridge this gap, we propose a unified framework that performs both within a single autoregressive rollout and optimizes them end-to-end via factorized group-relative policy optimization (F-GRPO). Our framework factorizes the policy into candidate generation and ranking while sharing a single LLM backbone, and jointly trains them with an order-invariant coverage reward and a position-aware utility reward. To address the resulting phase-specific credit assignment problem, we use separate group-relative advantages for generation and ranking within a two-phase sequence-level objective. Across sequential recommendation and multi-hop question answering benchmarks, F-GRPO improves top-ranked performance over GRPO and decoupled baselines, outperforms supervised alternatives, and remains competitive with strong zero-shot rerankers, with no architectural changes at inference time.

McAuley-Lab McAuley-Lab
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May 12 1

Weighted least-squares approximation with determinantal point processes and generalized volume sampling

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

  • 2 authors
·
Dec 21, 2023

Landmark-free Assessment of Lower-limb Alignment with Implicit Neural Shape Functions from Knee Radiographs

Radiographic assessment of lower-limb alignment (LLA) is important for predicting joint health and surgical outcomes in total knee arthroplasty. Traditional measurement methods are manual and time-consuming, while recent machine learning approaches typically rely on locating a fixed set of anatomical landmarks. This dependence limits flexibility and may require re-annotation when clinical definitions change. To address this, we propose an automated workflow using Implicit Neural Shape Functions (INSF). Rather than relying on explicit landmark coordinates, we encode the anatomy into a compact latent space and regress clinical alignment measurements directly from these latent codes. This architecture allows for rapid extendability to new tasks without altering the backbone representation. We trained our method on an internal dataset of 566 knee radiographs, each annotated with the outline of the femur and tibia. We evaluated it on both an internal test dataset of 50 patients and a separate external set of 402 preoperative cases from the MRKR dataset. Manual clinical measurements are available for these data, and the MRKR measurements will be made publicly accessible. Performance was comparable to state-of-the-art landmark-based methods and manual agreement, while offering a flexible shape representation that can be extended to additional measurement tasks.

  • 8 authors
·
Jun 12

A Model Zoo on Phase Transitions in Neural Networks

Using the weights of trained Neural Network (NN) models as data modality has recently gained traction as a research field - dubbed Weight Space Learning (WSL). Multiple recent works propose WSL methods to analyze models, evaluate methods, or synthesize weights. Weight space learning methods require populations of trained models as datasets for development and evaluation. However, existing collections of models - called `model zoos' - are unstructured or follow a rudimentary definition of diversity. In parallel, work rooted in statistical physics has identified phases and phase transitions in NN models. Models are homogeneous within the same phase but qualitatively differ from one phase to another. We combine the idea of `model zoos' with phase information to create a controlled notion of diversity in populations. We introduce 12 large-scale zoos that systematically cover known phases and vary over model architecture, size, and datasets. These datasets cover different modalities, such as computer vision, natural language processing, and scientific ML. For every model, we compute loss landscape metrics and validate full coverage of the phases. With this dataset, we provide the community with a resource with a wide range of potential applications for WSL and beyond. Evidence suggests the loss landscape phase plays a role in applications such as model training, analysis, or sparsification. We demonstrate this in an exploratory study of the downstream methods like transfer learning or model weights averaging.

  • 6 authors
·
Apr 25, 2025 2

Spurious Feature Diversification Improves Out-of-distribution Generalization

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG), which significantly enhances the OOD performance of WiSE-FT.

  • 8 authors
·
Sep 29, 2023

Fast Controlled Generation from Language Models with Adaptive Weighted Rejection Sampling

The dominant approach to generating from language models subject to some constraint is locally constrained decoding (LCD), incrementally sampling tokens at each time step such that the constraint is never violated. Typically, this is achieved through token masking: looping over the vocabulary and excluding non-conforming tokens. There are two important problems with this approach. (i) Evaluating the constraint on every token can be prohibitively expensive -- LM vocabularies often exceed 100,000 tokens. (ii) LCD can distort the global distribution over strings, sampling tokens based only on local information, even if they lead down dead-end paths. This work introduces a new algorithm that addresses both these problems. First, to avoid evaluating a constraint on the full vocabulary at each step of generation, we propose an adaptive rejection sampling algorithm that typically requires orders of magnitude fewer constraint evaluations. Second, we show how this algorithm can be extended to produce low-variance, unbiased estimates of importance weights at a very small additional cost -- estimates that can be soundly used within previously proposed sequential Monte Carlo algorithms to correct for the myopic behavior of local constraint enforcement. Through extensive empirical evaluation in text-to-SQL, molecular synthesis, goal inference, pattern matching, and JSON domains, we show that our approach is superior to state-of-the-art baselines, supporting a broader class of constraints and improving both runtime and performance. Additional theoretical and empirical analyses show that our method's runtime efficiency is driven by its dynamic use of computation, scaling with the divergence between the unconstrained and constrained LM, and as a consequence, runtime improvements are greater for better models.

  • 12 authors
·
Apr 7, 2025 2

Off-Target Effects of Response-Style Alignment in a Korean 27B Language Model

We post-train Qwen3.8-27B for Korean response style -- verbosity, list and markdown usage, discourse structure and register -- and measure two behaviours the objective never targets: abstention on ambiguous social questions in KoBBQ, where the benchmark-correct answer is UNKNOWN, and unprompted disclosure in securities guidance. Both move, and the changes are expressed primarily through the model's emission policy: how often it answers and how much it says. Matched target-form controls show that answer propensity depends on the training target, not the prompt set or recipe alone. Holding prompts, recipe, data volume and serving fixed and changing only the target text, three style seeds give positive answer-rate point estimates (mean +0.82 pp) and three neutral seeds negative ones (mean -1.53 pp); the observed seed ranges do not overlap and the means differ by 2.34 pp. A length-matched arm lies between them, and a fourth arm that stays short while preserving hedging is unstable across seeds, so which feature of the form is responsible is unresolved. For absolute stereotyped exposure the decomposition into an answer-propensity term and a conditional-composition term is an algebraic identity, not a finding; its empirical content is where the movement went. Across the trained checkpoints the changes are dominated by answer propensity while the composition term stays small, and because that term is evaluated on treatment-dependent answered subsets we do not read it as evidence about latent preference. Two measurement results follow. A between-arm contrast in conditional stereotyped share does not identify a change in conditional content preference when answer status is treatment-dependent. And agreement between two rule detectors for the same construct runs from 0.44 to 0.99 depending on which checkpoint produced the text -- observable without any reference labels.

  • 1 authors
·
Sep 9

TAROT: Targeted Data Selection via Optimal Transport

We propose TAROT, a targeted data selection framework grounded in optimal transport theory. Previous targeted data selection methods primarily rely on influence-based greedy heuristics to enhance domain-specific performance. While effective on limited, unimodal data (i.e., data following a single pattern), these methods struggle as target data complexity increases. Specifically, in multimodal distributions, these heuristics fail to account for multiple inherent patterns, leading to suboptimal data selection. This work identifies two primary factors contributing to this limitation: (i) the disproportionate impact of dominant feature components in high-dimensional influence estimation, and (ii) the restrictive linear additive assumptions inherent in greedy selection strategies. To address these challenges, TAROT incorporates whitened feature distance to mitigate dominant feature bias, providing a more reliable measure of data influence. Building on this, TAROT uses whitened feature distance to quantify and minimize the optimal transport distance between the selected data and target domains. Notably, this minimization also facilitates the estimation of optimal selection ratios. We evaluate TAROT across multiple tasks, including semantic segmentation, motion prediction, and instruction tuning. Results consistently show that TAROT outperforms state-of-the-art methods, highlighting its versatility across various deep learning tasks. Code is available at https://github.com/vita-epfl/TAROT.

  • 4 authors
·
Nov 30, 2024