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Oct 21

Beyond Prompt Count: How Data Shapes Transfer in On-Policy Distillation

On-policy distillation (OPD) trains students using teacher feedback on their own sampled responses, yet how prompt choice shapes transfer across teacher-student pairs remains poorly understood. We systematically study prompt quantity, source, and selection across RL- and SFT-continuation pairs and cross-model settings. We find that OPD can be highly prompt-efficient: a few prompts can approach large-pool performance, with four DAPO prompts matching the observed mathematics score of 3,840 DeepMath prompts. However, prompt utility is relational rather than intrinsic: changing only the teacher can reverse the relative effectiveness of mathematics and code prompts. To characterize these transfer differences, we analyze parameter and functional changes across prompt supports and model pairs. Functional alignment with the teacher varies across supports and target tasks; in continuation pairs, teacher-aligned prediction changes can coexist with weak parameter alignment. Continued OPD on effective supports can restore performance after unfavorable transfer. Finally, targeted selection does not consistently outperform uniform random sampling, and filtering out a source that performs poorly alone yields no consistent gain across three paired support draws. Overall, our results distinguish prompt efficiency from prompt interchangeability and show that effective data choice depends on the teacher-student pair and target capability, with random sampling providing a competitive baseline in the studied settings.

Reference-Specific Unlearning Metrics Can Hide the Truth: A Reality Check

Current unlearning metrics for generative models evaluate success based on reference responses or classifier outputs rather than assessing the core objective: whether the unlearned model behaves indistinguishably from a model that never saw the unwanted data. This reference-specific approach creates systematic blind spots, allowing models to appear successful while retaining unwanted knowledge accessible through alternative prompts or attacks. We address these limitations by proposing Functional Alignment for Distributional Equivalence (FADE), a novel metric that measures distributional similarity between unlearned and reference models by comparing bidirectional likelihood assignments over generated samples. Unlike existing approaches that rely on predetermined references, FADE captures functional alignment across the entire output distribution, providing a principled assessment of genuine unlearning. Our experiments on the TOFU benchmark for LLM unlearning and the UnlearnCanvas benchmark for text-to-image diffusion model unlearning reveal that methods achieving near-optimal scores on traditional metrics fail to achieve distributional equivalence, with many becoming more distant from the gold standard than before unlearning. These findings expose fundamental gaps in current evaluation practices and demonstrate that FADE provides a more robust foundation for developing and assessing truly effective unlearning methods.

  • 6 authors
·
Oct 13, 2025

Domain Elastic Transform: Bayesian Function Registration for High-Dimensional Scientific Data

Nonrigid registration is conventionally divided into point set registration, which aligns sparse geometries, and image registration, which aligns continuous intensity fields on regular grids. However, this dichotomy creates a critical bottleneck for emerging scientific data, such as spatial transcriptomics, where high-dimensional vector-valued functions, e.g., gene expression, are defined on irregular, sparse manifolds. Consequently, researchers currently face a forced choice: either sacrifice single-cell resolution via voxelization to utilize image-based tools, or ignore the critical functional signal to utilize geometric tools. To resolve this dilemma, we propose Domain Elastic Transform (DET), a grid-free probabilistic framework that unifies geometric and functional alignment. By treating data as functions on irregular domains, DET registers high-dimensional signals directly without binning. We formulate the problem within a rigorous Bayesian framework, modeling domain deformation as an elastic motion guided by a joint spatial-functional likelihood. The method is fully unsupervised and scalable, utilizing feature-sensitive downsampling to handle massive atlases. We demonstrate that DET achieves 92\% topological preservation on MERFISH data where state-of-the-art optimal transport methods struggle (<5\%), and successfully registers whole-embryo Stereo-seq atlases across developmental stages -- a task involving massive scale and complex nonrigid growth. The implementation of DET is available on {https://github.com/ohirose/bcpd} (since Mar, 2025).

  • 2 authors
·
Mar 21

Unveiling and Bridging the Functional Perception Gap in MLLMs: Atomic Visual Alignment and Hierarchical Evaluation via PET-Bench

While Multimodal Large Language Models (MLLMs) have demonstrated remarkable proficiency in tasks such as abnormality detection and report generation for anatomical modalities, their capability in functional imaging remains largely unexplored. In this work, we identify and quantify a fundamental functional perception gap: the inability of current vision encoders to decode functional tracer biodistribution independent of morphological priors. Identifying Positron Emission Tomography (PET) as the quintessential modality to investigate this disconnect, we introduce PET-Bench, the first large-scale functional imaging benchmark comprising 52,308 hierarchical QA pairs from 9,732 multi-site, multi-tracer PET studies. Extensive evaluation of 19 state-of-the-art MLLMs reveals a critical safety hazard termed the Chain-of-Thought (CoT) hallucination trap. We observe that standard CoT prompting, widely considered to enhance reasoning, paradoxically decouples linguistic generation from visual evidence in PET, producing clinically fluent but factually ungrounded diagnoses. To resolve this, we propose Atomic Visual Alignment (AVA), a simple fine-tuning strategy that enforces the mastery of low-level functional perception prior to high-level diagnostic reasoning. Our results demonstrate that AVA effectively bridges the perception gap, transforming CoT from a source of hallucination into a robust inference tool and improving diagnostic accuracy by up to 14.83%. Code and data are available at https://github.com/yezanting/PET-Bench.

  • 17 authors
·
Jan 6

EnchTable: Unified Safety Alignment Transfer in Fine-tuned Large Language Models

Many machine learning models are fine-tuned from large language models (LLMs) to achieve high performance in specialized domains like code generation, biomedical analysis, and mathematical problem solving. However, this fine-tuning process often introduces a critical vulnerability: the systematic degradation of safety alignment, undermining ethical guidelines and increasing the risk of harmful outputs. Addressing this challenge, we introduce EnchTable, a novel framework designed to transfer and maintain safety alignment in downstream LLMs without requiring extensive retraining. EnchTable leverages a Neural Tangent Kernel (NTK)-based safety vector distillation method to decouple safety constraints from task-specific reasoning, ensuring compatibility across diverse model architectures and sizes. Additionally, our interference-aware merging technique effectively balances safety and utility, minimizing performance compromises across various task domains. We implemented a fully functional prototype of EnchTable on three different task domains and three distinct LLM architectures, and evaluated its performance through extensive experiments on eleven diverse datasets, assessing both utility and model safety. Our evaluations include LLMs from different vendors, demonstrating EnchTable's generalization capability. Furthermore, EnchTable exhibits robust resistance to static and dynamic jailbreaking attacks, outperforming vendor-released safety models in mitigating adversarial prompts. Comparative analyses with six parameter modification methods and two inference-time alignment baselines reveal that EnchTable achieves a significantly lower unsafe rate, higher utility score, and universal applicability across different task domains. Additionally, we validate EnchTable can be seamlessly integrated into various deployment pipelines without significant overhead.

  • 6 authors
·
Nov 12, 2025

Few-shot Steerable Alignment: Adapting Rewards and LLM Policies with Neural Processes

As large language models (LLMs) become increasingly embedded in everyday applications, ensuring their alignment with the diverse preferences of individual users has become a critical challenge. Currently deployed approaches typically assume homogeneous user objectives and rely on single-objective fine-tuning. However, human preferences are inherently heterogeneous, influenced by various unobservable factors, leading to conflicting signals in preference data. Existing solutions addressing this diversity often require costly datasets labelled for specific objectives and involve training multiple reward models or LLM policies, which is computationally expensive and impractical. In this work, we present a novel framework for few-shot steerable alignment, where users' underlying preferences are inferred from a small sample of their choices. To achieve this, we extend the Bradley-Terry-Luce model to handle heterogeneous preferences with unobserved variability factors and propose its practical implementation for reward modelling and LLM fine-tuning. Thanks to our proposed approach of functional parameter-space conditioning, LLMs trained with our framework can be adapted to individual preferences at inference time, generating outputs over a continuum of behavioural modes. We empirically validate the effectiveness of methods, demonstrating their ability to capture and align with diverse human preferences in a data-efficient manner. Our code is made available at: https://github.com/kasia-kobalczyk/few-shot-steerable-alignment.

CambUni University of Cambridge
·
Dec 17, 2024

Leveraging Intrinsic Properties for Non-Rigid Garment Alignment

We address the problem of aligning real-world 3D data of garments, which benefits many applications such as texture learning, physical parameter estimation, generative modeling of garments, etc. Existing extrinsic methods typically perform non-rigid iterative closest point and struggle to align details due to incorrect closest matches and rigidity constraints. While intrinsic methods based on functional maps can produce high-quality correspondences, they work under isometric assumptions and become unreliable for garment deformations which are highly non-isometric. To achieve wrinkle-level as well as texture-level alignment, we present a novel coarse-to-fine two-stage method that leverages intrinsic manifold properties with two neural deformation fields, in the 3D space and the intrinsic space, respectively. The coarse stage performs a 3D fitting, where we leverage intrinsic manifold properties to define a manifold deformation field. The coarse fitting then induces a functional map that produces an alignment of intrinsic embeddings. We further refine the intrinsic alignment with a second neural deformation field for higher accuracy. We evaluate our method with our captured garment dataset, GarmCap. The method achieves accurate wrinkle-level and texture-level alignment and works for difficult garment types such as long coats. Our project page is https://jsnln.github.io/iccv2023_intrinsic/index.html.

  • 5 authors
·
Aug 18, 2023

HA-HI: Synergising fMRI and DTI through Hierarchical Alignments and Hierarchical Interactions for Mild Cognitive Impairment Diagnosis

Early diagnosis of mild cognitive impairment (MCI) and subjective cognitive decline (SCD) utilizing multi-modal magnetic resonance imaging (MRI) is a pivotal area of research. While various regional and connectivity features from functional MRI (fMRI) and diffusion tensor imaging (DTI) have been employed to develop diagnosis models, most studies integrate these features without adequately addressing their alignment and interactions. This limits the potential to fully exploit the synergistic contributions of combined features and modalities. To solve this gap, our study introduces a novel Hierarchical Alignments and Hierarchical Interactions (HA-HI) method for MCI and SCD classification, leveraging the combined strengths of fMRI and DTI. HA-HI efficiently learns significant MCI- or SCD- related regional and connectivity features by aligning various feature types and hierarchically maximizing their interactions. Furthermore, to enhance the interpretability of our approach, we have developed the Synergistic Activation Map (SAM) technique, revealing the critical brain regions and connections that are indicative of MCI/SCD. Comprehensive evaluations on the ADNI dataset and our self-collected data demonstrate that HA-HI outperforms other existing methods in diagnosing MCI and SCD, making it a potentially vital and interpretable tool for early detection. The implementation of this method is publicly accessible at https://github.com/ICI-BCI/Dual-MRI-HA-HI.git.

  • 7 authors
·
Jan 2, 2024

EARL: Entropy-Aware RL Alignment of LLMs for Reliable RTL Code Generation

Recent advances in large language models (LLMs) have demonstrated significant potential in hardware design automation, particularly in using natural language to synthesize Register-Transfer Level (RTL) code. Despite this progress, a gap remains between model capability and the demands of real-world RTL design, including syntax errors, functional hallucinations, and weak alignment to designer intent. Reinforcement Learning with Verifiable Rewards (RLVR) offers a promising approach to bridge this gap, as hardware provides executable and formally checkable signals that can be used to further align model outputs with design intent. However, in long, structured RTL code sequences, not all tokens contribute equally to functional correctness, and naïvely spreading gradients across all tokens dilutes learning signals. A key insight from our entropy analysis in RTL generation is that only a small fraction of tokens (e.g., always, if, assign, posedge) exhibit high uncertainty and largely influence control flow and module structure. To address these challenges, we present EARL, an Entropy-Aware Reinforcement Learning framework for Verilog generation. EARL performs policy optimization using verifiable reward signals and introduces entropy-guided selective updates that gate policy gradients to high-entropy tokens. This approach preserves training stability and concentrates gradient updates on functionally important regions of code. Our experiments on VerilogEval and RTLLM show that EARL improves functional pass rates over prior LLM baselines by up to 14.7%, while reducing unnecessary updates and improving training stability. These results indicate that focusing RL on critical, high-uncertainty tokens enables more reliable and targeted policy improvement for structured RTL code generation.

  • 4 authors
·
Nov 15, 2025

Instruction-Tuned Video-Audio Models Elucidate Functional Specialization in the Brain

Recent voxel-wise multimodal brain encoding studies have shown that multimodal large language models (MLLMs) exhibit a higher degree of brain alignment compared to unimodal models in both unimodal and multimodal stimulus settings. More recently, instruction-tuned multimodal models have shown to generate task-specific representations that align strongly with brain activity. However, prior work evaluating the brain alignment of MLLMs has primarily focused on unimodal settings or relied on non-instruction-tuned multimodal models for multimodal stimuli. To address this gap, we investigated brain alignment, that is, measuring the degree of predictivity of neural activity recorded while participants were watching naturalistic movies (video along with audio) with representations derived from MLLMs. We utilized instruction-specific embeddings from six video and two audio instruction-tuned MLLMs. Experiments with 13 video task-specific instructions show that instruction-tuned video MLLMs significantly outperform non-instruction-tuned multimodal (by 15%) and unimodal models (by 20%). Our evaluation of MLLMs for both video and audio tasks using language-guided instructions shows clear disentanglement in task-specific representations from MLLMs, leading to precise differentiation of multimodal functional processing in the brain. We also find that MLLM layers align hierarchically with the brain, with early sensory areas showing strong alignment with early layers, while higher-level visual and language regions align more with middle to late layers. These findings provide clear evidence for the role of task-specific instructions in improving the alignment between brain activity and MLLMs, and open new avenues for mapping joint information processing in both the systems. We make the code publicly available [https://github.com/subbareddy248/mllm_videos].

  • 8 authors
·
Jun 9, 2025

Decoding Alignment without Encoding Alignment: A critique of similarity analysis in neuroscience

Decoding approaches are widely used in neuroscience and machine learning to compare stimulus representations across neural systems, such as different brain regions, organisms, and deep learning models. Popular methods include decoding (perceptual) manifolds and alignment metrics such as Representational Similarity Analysis (RSA) and Dynamic Similarity Analysis (DSA), where similarity in decoding representations is interpreted as evidence for similar computation. This paper demonstrates a fundamental weakness behind this approach: it is misleading to assume that representational geometry is representative of a neuronal population as a whole, when such representations may actually be shaped by a very small subset of neurons. We show that the complementary encoding paradigm addresses this issue directly: it characterizes how neurons are organized globally in terms of their responses to a set of data, providing insight into how the decoding representation is implemented by neurons within a population. We demonstrate across experiments in biological systems and deep learning models that (i) surprisingly, similar decoding behavior and high representational alignment can arise from small, non-representative subpopulations of neurons; and critically, (ii) alignment metrics are insensitive to encoding manifold topology (how function is distributed across neurons), despite this being a key signature of differentiation across biological systems. A controlled MNIST experiment provides causal evidence: decoding metrics remain unchanged even when encoding topology is causally manipulated via the training loss. Overall, similarity in decoding behavior, as measured by classic alignment metrics, does not imply similarity in function or computation, motivating the use of encoding manifolds as a complementary tool for comparing neural systems.

  • 5 authors
·
May 6

What Accuracy and Gradient Cosine Miss: Evaluating Feedback Alignment via Scale Stability, Reference Validity, and Depth Utility

Despite the success of deep learning, training deep networks in biologically plausible and hardware-efficient ways remains an open challenge. Feedback alignment (FA) methods address this by replacing backpropagation's symmetric backward weights with fixed random matrices, but their effectiveness depends critically on whether they can be accurately evaluated. The standard evaluation relies on two quantities: task accuracy and cosine similarity between the method's credit signal and the backpropagation gradient. We show that this reporting pair is insufficient by identifying two independent failure modes, both silent under current reporting: (1) measurement degeneracy, where the BP reference gradient collapses to the numerical floor in terminal-LayerNorm residual architectures, rendering cosine uninterpretable; and (2) aggregation collapse, where the aggregate cosine masks layerwise heterogeneity that concentrates credit at one end of the network. To address these limitations, we propose a diagnostic evaluation protocol based on three checks -- scale stability, reference validity, and depth utility -- together with per-layer rather than aggregate cosine reporting. Across multiple architectures and methods, the standard reporting pair gives no signal of failure in any audited case, while our protocol identifies all failures with wide calibration margins. The two failure modes are causally independent: a per-block scale penalty alleviates Mode 1 (residual scale explosion driving reference collapse) without affecting Mode 2 (cosine ranking that contradicts every functional metric we measured). Identifying these silent failures prevents researchers from building on non-functional credit assignment and provides actionable guidance for developing FA methods that genuinely train deep layers.

  • 3 authors
·
Jun 18

Fast and Interpretable Protein Substructure Alignment via Optimal Transport

Proteins are essential biological macromolecules that execute life functions. Local motifs within protein structures, such as active sites, are the most critical components for linking structure to function and are key to understanding protein evolution and enabling protein engineering. Existing computational methods struggle to identify and compare these local structures, which leaves a significant gap in understanding protein structures and harnessing their functions. This study presents PLASMA, the first deep learning framework for efficient and interpretable residue-level protein substructure alignment. We reformulate the problem as a regularized optimal transport task and leverage differentiable Sinkhorn iterations. For a pair of input protein structures, PLASMA outputs a clear alignment matrix with an interpretable overall similarity score. Through extensive quantitative evaluations and three biological case studies, we demonstrate that PLASMA achieves accurate, lightweight, and interpretable residue-level alignment. Additionally, we introduce PLASMA-PF, a training-free variant that provides a practical alternative when training data are unavailable. Our method addresses a critical gap in protein structure analysis tools and offers new opportunities for functional annotation, evolutionary studies, and structure-based drug design. Reproducibility is ensured via our official implementation at https://github.com/ZW471/PLASMA-Protein-Local-Alignment.git.

  • 7 authors
·
Oct 12, 2025

LMBuild: Evaluating LLM Agents for Generating Buildable and Functional Structures

LLM-based agents are increasingly capable of generating complex 3D structures, with the potential to reshape how objects are designed and realized in the physical world. Yet, producing elegant geometry is fundamentally different from producing objects that can be built and perform their intended functions. Existing evaluations largely focus on geometric quality while overlooking physical realizability. We introduce LMBuild, a benchmark for evaluating LLM agents on generating buildable and functional structures. LMBuild represents generated objects as assembled structures comprising part decompositions, joints, materials, and sequences. To support reproducible evaluation, we provide a unified framework consisting of: (1) an interactive environment in which agents can use tools to retrieve, create, and place components to construct objects; (2) a curated benchmark that repurposes established CAD datasets and augments them with knowledge from Wikipedia; and (3) a evaluation framework covering structural soundness, functional affordance, design quality, and physical realization. Evaluations across 30 systems reveal several intriguing findings: (a) Soundness and alignment are no longer the primary bottlenecks for frontier closed-source models, while functional affordance and physical operability remain substantially more challenging; (b) stronger models more effectively create new components, whereas weaker models tend to rely on retrieval; and (c) providing functional specifications substantially improves part completeness, kinematics, and physical operability. These results show that generating real-world structures requires deeper reasoning about functional affordances, mechanics, and designing and creating novel components. We expect LMBuild to provide a foundation for measuring progress and incentivizing research toward agents that generate buildable and functional structures.

Integrating Efficient Optimal Transport and Functional Maps For Unsupervised Shape Correspondence Learning

In the realm of computer vision and graphics, accurately establishing correspondences between geometric 3D shapes is pivotal for applications like object tracking, registration, texture transfer, and statistical shape analysis. Moving beyond traditional hand-crafted and data-driven feature learning methods, we incorporate spectral methods with deep learning, focusing on functional maps (FMs) and optimal transport (OT). Traditional OT-based approaches, often reliant on entropy regularization OT in learning-based framework, face computational challenges due to their quadratic cost. Our key contribution is to employ the sliced Wasserstein distance (SWD) for OT, which is a valid fast optimal transport metric in an unsupervised shape matching framework. This unsupervised framework integrates functional map regularizers with a novel OT-based loss derived from SWD, enhancing feature alignment between shapes treated as discrete probability measures. We also introduce an adaptive refinement process utilizing entropy regularized OT, further refining feature alignments for accurate point-to-point correspondences. Our method demonstrates superior performance in non-rigid shape matching, including near-isometric and non-isometric scenarios, and excels in downstream tasks like segmentation transfer. The empirical results on diverse datasets highlight our framework's effectiveness and generalization capabilities, setting new standards in non-rigid shape matching with efficient OT metrics and an adaptive refinement module.

  • 5 authors
·
Mar 4, 2024

CodeRL+: Improving Code Generation via Reinforcement with Execution Semantics Alignment

While Large Language Models (LLMs) excel at code generation by learning from vast code corpora, a fundamental semantic gap remains between their training on textual patterns and the goal of functional correctness, which is governed by formal execution semantics. Reinforcement Learning with Verifiable Rewards (RLVR) approaches attempt to bridge this gap using outcome rewards from executing test cases. However, solely relying on binary pass/fail signals is inefficient for establishing a well-aligned connection between the textual representation of code and its execution semantics, especially for subtle logical errors within the code. In this paper, we propose CodeRL+, a novel approach that integrates execution semantics alignment into the RLVR training pipeline for code generation. CodeRL+ enables the model to infer variable-level execution trajectory, providing a direct learning signal of execution semantics. CodeRL+ can construct execution semantics alignment directly using existing on-policy rollouts and integrates seamlessly with various RL algorithms. Extensive experiments demonstrate that CodeRL+ outperforms post-training baselines (including RLVR and Distillation), achieving a 4.6% average relative improvement in pass@1. CodeRL+ generalizes effectively to other coding tasks, yielding 15.5% and 4.4% higher accuracy on code-reasoning and test-output-generation benchmarks, respectively. CodeRL+ shows strong applicability across diverse RL algorithms and LLMs. Furthermore, probe analyses provide compelling evidence that CodeRL+ strengthens the alignment between code's textual representations and its underlying execution semantics.

  • 13 authors
·
Oct 21, 2025

VenusX: Unlocking Fine-Grained Functional Understanding of Proteins

Deep learning models have driven significant progress in predicting protein function and interactions at the protein level. While these advancements have been invaluable for many biological applications such as enzyme engineering and function annotation, a more detailed perspective is essential for understanding protein functional mechanisms and evaluating the biological knowledge captured by models. To address this demand, we introduce VenusX, the first large-scale benchmark for fine-grained functional annotation and function-based protein pairing at the residue, fragment, and domain levels. VenusX comprises three major task categories across six types of annotations, including residue-level binary classification, fragment-level multi-class classification, and pairwise functional similarity scoring for identifying critical active sites, binding sites, conserved sites, motifs, domains, and epitopes. The benchmark features over 878,000 samples curated from major open-source databases such as InterPro, BioLiP, and SAbDab. By providing mixed-family and cross-family splits at three sequence identity thresholds, our benchmark enables a comprehensive assessment of model performance on both in-distribution and out-of-distribution scenarios. For baseline evaluation, we assess a diverse set of popular and open-source models, including pre-trained protein language models, sequence-structure hybrids, structure-based methods, and alignment-based techniques. Their performance is reported across all benchmark datasets and evaluation settings using multiple metrics, offering a thorough comparison and a strong foundation for future research. Code and data are publicly available at https://github.com/ai4protein/VenusX.

  • 6 authors
·
May 16, 2025

LatentUMM: Dual Latent Alignment for Unified Multimodal Models

Unified multimodal models (UMMs) achieve strong performance in both understanding and generation by learning a shared latent space, yet they often exhibit functional inconsistency between these two capabilities. We observe that this issue does not stem from a lack of shared representations, but from the absence of explicit alignment between the transformations that map into and out of the latent space. As a result, generation and re-encoding can follow inconsistent trajectories, leading to semantic drift under modality transitions. In this work, we propose LatentUMM, a framework that constructs an enhanced shared latent space to explicitly align these transformations and improve cross-modal consistency. LatentUMM consists of two stages. First, dual latent alignment enforces consistency at both the modality and capacity levels: cross-modal alignment uses a stronger embedding model to impose structured cross-modal semantics, while dual capacity alignment enforces bidirectional consistency under generation and re-encoding. Second, latent dynamics stabilization improves robustness via stochastic latent rollouts and preference optimization, favoring trajectories that better preserve semantic consistency. Experiments show that LatentUMM consistently improves multimodal consistency across diverse architectures. Code is available at: https://github.com/AIFrontierLab/TorchUMM/tree/main/src/umm/post_training/LatentUMM.

Omega-S: A Functional Resilience Index for LLM Fine-Tuning

Fine-tuning a large language model on new data degrades what it previously learned. We present Omega-S, a drop-in penalty computed from the weight matrix alone: it needs no previous-task data, no Fisher matrix and no stored copy of the old weights. It is three lines in an existing training loop and adds under 4% to the cost of a step. Retention. On Llama-3-8B with LoRA, fine-tuned from code to prose and measured by HumanEval over ten seeds, Omega-S retains more of the original capability than no regularisation on 9 of 10 seeds (0.173 -> 0.238 absolute pass@1; sign test one-sided p=0.011, Wilcoxon p=0.006), as a retention ratio, 62.9% -> 84.1%. It also beats tuned weight decay on 10 of 10 seeds (p=0.002) and tuned EWC on 8 of 10 (p=0.014), every arm re-measured in the same session. Mechanism, measured rather than asserted. Omega-S is topological by construction, its objective built from Tr(A^3), but we measured which of its four factors actually moves and three do not: their elasticity with respect to the weights is at or below 1e-4, against 9e-3 for the degree-variance term. As implemented, the composite reduces to a penalty on the variance of node degrees, which means row magnitude in square modules and directional alignment in non-square ones. We report this because a method whose name promises one thing and whose gradient does another should say so. We also enumerate the open design choices, including a contrast-preserving construction that does what it was designed to do and makes retention worse on all ten seeds. Repeating an identical configuration, same seed and same hardware, gives a standard deviation of 0.104 in retention ratio. We have not found this quantified for low-rank fine-tuning of language models, and it bounds every seed-paired comparison in this literature, ours included. Code, per-seed results and the full record of negative results are available.

  • 1 authors
·
Aug 3 5

Faithful Dual-constrained Erasure for Robust LLM Safety Alignment

Machine unlearning has emerged as a crucial mechanism for removing hazardous knowledge and enforcing safety alignment in Large Language Models (LLMs). However, recent studies reveal a persistent security risk: unlearned models remain highly vulnerable to retraining attacks, where suppressed malicious behaviors rapidly resurface after benign fine-tuning. In this work, we investigate the optimization dynamics of unlearning and identify that this vulnerability stems from shallow alignment. Rather than effectively erasing target knowledge, models often exploit a shortcut by activating previously dormant parameters to act as spurious suppressors, forming a fragile inhibitory shell over intact malicious representations. To address this issue and enforce authentic memory deletion, we propose FDCU, a novel dual-constrained subspace projection framework. FDCU restricts parameter updates through a highly scalable, element-wise dual-masking rule: it preserves general knowledge manifolds via Fisher Information and strictly prohibits the abnormal activation of spurious suppressors via the Principle of Minimal Functional Intervention (PMFI). By reliably blocking the model's ability to superficially hide knowledge, FDCU promotes the authentic dismantling of target representations. Extensive experiments across specific knowledge erasure and safe output control tasks demonstrate that FDCU achieves state-of-the-art robustness against retraining attacks while maintaining near-lossless general utility, ensuring durable safety for LLMs.

  • 6 authors
·
Sep 29

Circuit Representation Learning with Masked Gate Modeling and Verilog-AIG Alignment

Understanding the structure and function of circuits is crucial for electronic design automation (EDA). Circuits can be formulated as And-Inverter graphs (AIGs), enabling efficient implementation of representation learning through graph neural networks (GNNs). Masked modeling paradigms have been proven effective in graph representation learning. However, masking augmentation to original circuits will destroy their logical equivalence, which is unsuitable for circuit representation learning. Moreover, existing masked modeling paradigms often prioritize structural information at the expense of abstract information such as circuit function. To address these limitations, we introduce MGVGA, a novel constrained masked modeling paradigm incorporating masked gate modeling (MGM) and Verilog-AIG alignment (VGA). Specifically, MGM preserves logical equivalence by masking gates in the latent space rather than in the original circuits, subsequently reconstructing the attributes of these masked gates. Meanwhile, large language models (LLMs) have demonstrated an excellent understanding of the Verilog code functionality. Building upon this capability, VGA performs masking operations on original circuits and reconstructs masked gates under the constraints of equivalent Verilog codes, enabling GNNs to learn circuit functions from LLMs. We evaluate MGVGA on various logic synthesis tasks for EDA and show the superior performance of MGVGA compared to previous state-of-the-art methods. Our code is available at https://github.com/wuhy68/MGVGA.

  • 4 authors
·
Feb 18, 2025

UFO: Chain-of-Evaluation for Omni-Condition Alignment in Multi-Modal Image Generation

Multi-modal image generation, particularly subject-driven customization, has garnered growing attention in recent years. Despite the rapid advancement of generative models, their evaluation remains largely lagging. Existing methods, whether embedding-based or Multi-modal Large Language Model (MLLM)-based, evaluate alignment with each modal condition in isolation, which contradicts the simultaneous condition alignment objective of multi-modal image generation, leading to poor consistency with human judgments. To address this challenge, we propose UFO, the first unified framework for omni-condition alignment simultaneous evaluation. Specifically, UFO introduces a novel Atomized Chain-of-Evaluation paradigm, i.e., it first decomposes omni-condition alignment into a sequential chain of fine-grained, disentangled Atomic Evaluation Units (AEUs), categorizes them into distinct modality-relevance classes, and then employs general or dedicated functional calls for accurate verification of different AEU types. Experimental results demonstrate that UFO achieves the highest correlation with human evaluation preferences, delivering an average improvement of 15.25%. Furthermore, we present UFO-Bench, a dedicated benchmark designed to holistically evaluate the performance of existing customization models under the diverse mutual interactions of textual and visual conditions.

WebGen-R1: Incentivizing Large Language Models to Generate Functional and Aesthetic Websites with Reinforcement Learning

While Large Language Models (LLMs) excel at function-level code generation, project-level tasks such as generating functional and visually aesthetic multi-page websites remain highly challenging. Existing works are often limited to single-page static websites, while agentic frameworks typically rely on multi-turn execution with proprietary models, leading to substantial token costs, high latency, and brittle integration. Training a small LLM end-to-end with reinforcement learning (RL) is a promising alternative, yet it faces a critical bottleneck in designing reliable and computationally feasible rewards for website generation. Unlike single-file coding tasks that can be verified by unit tests, website generation requires evaluating inherently subjective aesthetics, cross-page interactions, and functional correctness. To this end, we propose WebGen-R1, an end-to-end RL framework tailored for project-level website generation. We first introduce a scaffold-driven structured generation paradigm that constrains the large open-ended action space and preserves architectural integrity. We then design a novel cascaded multimodal reward that seamlessly couples structural guarantees with execution-grounded functional feedback and vision-based aesthetic supervision. Extensive experiments demonstrate that our WebGen-R1 substantially transforms a 7B base model from generating nearly nonfunctional websites into producing deployable, aesthetically aligned multi-page websites. Remarkably, our WebGen-R1 not only consistently outperforms heavily scaled open-source models (up to 72B), but also rivals the state-of-the-art DeepSeek-R1 (671B) in functional success, while substantially exceeding it in valid rendering and aesthetic alignment. These results position WebGen-R1 as a viable path for scaling small open models from function-level code generation to project-level web application generation.

  • 7 authors
·
Apr 21 2

MUSE: Benchmarking Manufacturable, Functional, and Assemblable Text-to-CAD Generation

Large language models (LLMs) have recently advanced text-driven 3D generation, yet Text-to-CAD remains far from supporting industrial product design. Existing benchmarks focus primarily on generating single-part CAD models and evaluate them using geometric similarity metrics that fail to capture functionality, manufacturability, and assemblability. To address this gap, we introduce MUSE, a Text-to-CAD benchmark focused on complex, editable boundary representation (B-Rep) assemblies. MUSE pairs practical design instances with structured Design Specifications and evaluates generated models through a three-stage protocol: code check, geometric check, and design-intent alignment. The final stage uses design-specific rubrics to assess functionality, manufacturability, and assemblability, moving beyond shape matching toward practical design quality. To enable scalable evaluation, we use a rubric-based visual language model (VLM) judge and validate its reliability through human annotation. Experiments on closed-source and open-source LLMs reveal a clear failure cascade from executable code to valid geometry and finally to engineering-ready design, with even the strongest models achieving limited success on fine-grained engineering criteria. Together, MUSE provides a realistic benchmark and evaluation framework for advancing Text-to-CAD from geometric generation toward true engineering design. Our project website, including the leaderboard, dataset, and code, is available at https://dong7313.github.io/muse-benchmark/.

  • 3 authors
·
May 26

How's it going? Reinforcement learning in language models recruits a functional welfare axis

How does reinforcement learning shape a language model's internal representations? We present evidence that RL recruits a pre-existing representation of functional welfare: an estimate of how well or badly the system is doing, relative to its goals. We train several language models in a novel, semantically neutral maze environment. We then extract concept vectors for rewarded and punished trajectories, and evaluate those vectors in settings unrelated to the maze environment. The punishment vector behaves like a representation of negative welfare: it promotes failure and impossibility tokens, it aligns with negative emotion concepts, it negatively tracks goal-achievement, and steering with it induces negative self-reports, pathological backtracking, refusal, and uncertainty. The positive reward vector behaves as the mirror image, and the two are nearly antiparallel. These effects are robust when controlling for tile-to-reward mapping, scale, instruct tuning, RL training algorithm, model family, and LoRA versus full-finetuning, and largely persist when we replace RL with supervised fine-tuning. Importantly, the vectors are effective in models before they have undergone maze training. Combined with observations that the effects also appear in pretrain-only models, we therefore argue that this functional welfare axis pre-exists post-training: it is recruited, rather than created, by post-training. While we make no claims about any experience of welfare, the axis offers a demonstration that minimal reward signals can broadly affect model behavior by recruiting pre-existing welfare-like representations, with implications for interpretability, post-training dynamics, and alignment.

  • 3 authors
·
May 27

PlayCoder: Making LLM-Generated GUI Code Playable

Large language models (LLMs) have achieved strong results in code generation, but their ability to generate GUI applications, especially games, remains insufficiently studied. Existing benchmarks mainly evaluate correctness through test cases, which are inadequate for GUI applications because these systems are interactive, event-driven, and require correct state transitions across sequences of user actions. Their evaluation therefore should consider interaction flows and UI logic rather than only pass/fail outcomes. To study this problem, we introduce PlayEval, a repository-aware benchmark built from 43 multilingual GUI applications in Python, TypeScript, and JavaScript. Unlike prior GUI benchmarks that are difficult to adapt to desktop environments, PlayEval covers six major GUI application categories and directly supports code-generation evaluation. We further propose Play@k, a metric that measures whether at least one of *k* generated candidates can be played end-to-end without logical errors. To support reliable evaluation, we develop PlayTester, an LLM-based agent that performs task-oriented GUI playthroughs and detects logic violations automatically. Experiments on 10 state-of-the-art code LLMs show that, despite high compilation rates, they achieve near-zero Play@3, revealing major weaknesses in generating logically correct GUI applications. To address this limitation, we present PlayCoder, a multi-agent, repository-aware framework that generates, evaluates, and iteratively repairs GUI application code in a closed loop. PlayCoder substantially improves both functional correctness and semantic alignment for open-source and closed-source models, reaching up to 38.1% Exec@3 and 20.3% Play@3. Case studies further show that it can uncover silent logic bugs missed by traditional metrics and fix them through targeted edits.

tencent Tencent
·
Apr 20 4

DeeperBrain: A Neuro-Grounded EEG Foundation Model Towards Universal BCI

Electroencephalography (EEG) foundation models hold significant promise for universal Brain-Computer Interfaces (BCIs). However, existing approaches often rely on end-to-end fine-tuning and exhibit limited efficacy under frozen-probing protocols, lacking the intrinsic universality required for broad generalization. This limitation stems from adapting general-purpose sequence architectures that overlook the biophysical and dynamical principles of neural activity. To bridge this gap, we propose DeeperBrain, a neuro-grounded foundation model integrating domain-specific inductive biases into its model design and learning objectives. Architecturally, DeeperBrain incorporates a volume conduction-aware channel encoding to model spatial mixing via 3D geometry, and a neurodynamics-aware temporal encoding capturing slow adaptations using oscillatory and exponential bases. For pretraining, we introduce a dual-objective strategy combining Masked EEG Reconstruction (MER) for local fidelity and Neurodynamics Statistics Prediction (NSP). NSP enforces alignment with macroscopic brain states by predicting interpretable order parameters, including spectral power, functional connectivity, cross-frequency coupling, and dynamic complexity. Extensive experiments demonstrate that DeeperBrain achieves state-of-the-art or highly competitive performance under end-to-end fine-tuning. Crucially, it maintains superior efficacy under a rigorous frozen-probing protocol, verifying that embedding neuroscientific first principles endows learned representations with the intrinsic universality essential for universal BCI. The code will be publicly available.

  • 6 authors
·
Jan 5

Aligning Text, Code, and Vision: A Multi-Objective Reinforcement Learning Framework for Text-to-Visualization

Text-to-Visualization (Text2Vis) systems translate natural language queries over tabular data into concise answers and executable visualizations. While closed-source LLMs generate functional code, the resulting charts often lack semantic alignment and clarity, qualities that can only be assessed post-execution. Open-source models struggle even more, frequently producing non-executable or visually poor outputs. Although supervised fine-tuning can improve code executability, it fails to enhance overall visualization quality, as traditional SFT loss cannot capture post-execution feedback. To address this gap, we propose RL-Text2Vis, the first reinforcement learning framework for Text2Vis generation. Built on Group Relative Policy Optimization (GRPO), our method uses a novel multi-objective reward that jointly optimizes textual accuracy, code validity, and visualization quality using post-execution feedback. By training Qwen2.5 models (7B and 14B), RL-Text2Vis achieves a 22% relative improvement in chart quality over GPT-4o on the Text2Vis benchmark and boosts code execution success from 78% to 97% relative to its zero-shot baseline. Our models significantly outperform strong zero-shot and supervised baselines and also demonstrate robust generalization to out-of-domain datasets like VIS-Eval and NVBench. These results establish GRPO as an effective strategy for structured, multimodal reasoning in visualization generation. We release our code at https://github.com/vis-nlp/RL-Text2Vis.

Considerations for Using the Vasculature as a Coordinate System to Map All the Cells in the Human Body

Several ongoing international efforts are developing methods of localizing single cells within organs or mapping the entire human body at the single cell level, including the Chan Zuckerberg Initiative's Human Cell Atlas (HCA), and the Knut and Allice Wallenberg Foundation's Human Protein Atlas (HPA), and the National Institutes of Health's Human BioMolecular Atlas Program (HuBMAP). Their goals are to understand cell specialization, interactions, spatial organization in their natural context, and ultimately the function of every cell within the body. In the same way that the Human Genome Project had to assemble sequence data from different people to construct a complete sequence, multiple centers around the world are collecting tissue specimens from a diverse population that varies in age, race, sex, and body size. A challenge will be combining these heterogeneous tissue samples into a 3D reference map that will enable multiscale, multidimensional Google Maps-like exploration of the human body. Key to making alignment of tissue samples work is identifying and using a coordinate system called a Common Coordinate Framework (CCF), which defines the positions, or "addresses", in a reference body, from whole organs down to functional tissue units and individual cells. In this perspective, we examine the concept of a CCF based on the vasculature and describe why it would be an attractive choice for mapping the human body.

  • 3 authors
·
Nov 7, 2019

SemanticCite: Citation Verification with AI-Powered Full-Text Analysis and Evidence-Based Reasoning

Effective scientific communication depends on accurate citations that validate sources and guide readers to supporting evidence. Yet academic literature faces mounting challenges: semantic citation errors that misrepresent sources, AI-generated hallucinated references, and traditional citation formats that point to entire papers without indicating which sections substantiate specific claims. We introduce SemanticCite, an AI-powered system that verifies citation accuracy through full-text source analysis while providing rich contextual information via detailed reasoning and relevant text snippets. Our approach combines multiple retrieval methods with a four-class classification system (Supported, Partially Supported, Unsupported, Uncertain) that captures nuanced claim-source relationships and enables appropriate remedial actions for different error types. Our experiments show that fine-tuned lightweight language models achieve performance comparable to large commercial systems with significantly lower computational requirements, making large-scale citation verification practically feasible. The system provides transparent, evidence-based explanations that support user understanding and trust. We contribute a comprehensive dataset of over 1,000 citations with detailed alignments, functional classifications, semantic annotations, and bibliometric metadata across eight disciplines, alongside fine-tuned models and the complete verification framework as open-source software. SemanticCite addresses critical challenges in research integrity through scalable citation verification, streamlined peer review, and quality control for AI-generated content, providing an open-source foundation for maintaining citation accuracy at scale.

  • 1 authors
·
Nov 20, 2025 1

CodeUltraFeedback: An LLM-as-a-Judge Dataset for Aligning Large Language Models to Coding Preferences

Evaluating the alignment of large language models (LLMs) with user-defined coding preferences is a challenging endeavour that requires a deep assessment of LLMs' outputs. Existing methods and benchmarks rely primarily on automated metrics and static analysis tools, which often fail to capture the nuances of user instructions and LLM outputs. To address this gap, we propose using the LLM-as-a-Judge methodology to evaluate the alignment of LLMs with coding preferences. Based on this approach, we present CodeUltraFeedback, a comprehensive dataset designed to facilitate the evaluation and improvement of LLM alignment. CodeUltraFeedback consists of 10,000 coding instructions, each annotated with four responses generated from a diverse pool of 14 LLMs. These responses are ranked based on five distinct coding preferences using GPT-3.5 as a judge, providing both numerical scores and detailed textual feedback. Our analysis of CodeUltraFeedback reveals that responses from GPT-3.5 and GPT-4 are generally preferred over those from open-weight LLMs, highlighting significant differences in alignment between closed and open-weight models. In turn, we explore the usage of CodeUltraFeedback as feedback data to fine-tune and align CodeLlama-7B-Instruct using supervised fine-tuning (SFT) and reinforcement learning from AI feedback (RLAIF) with direct preference optimization (DPO). The resulting aligned CodeLlama-7B-Instruct model outperforms larger LLMs in terms of alignment with coding preferences and shows improved functional correctness on the HumanEval+ benchmark compared to the original instruct model. Therefore, our contributions bridge the gap in preference tuning of LLMs for code and set the stage for further advancements in model alignment and RLAIF in automated software engineering.

  • 3 authors
·
Mar 13, 2024

Lost in Tokenization: Context as the Key to Unlocking Biomolecular Understanding in Scientific LLMs

Scientific Large Language Models (Sci-LLMs) have emerged as a promising frontier for accelerating biological discovery. However, these models face a fundamental challenge when processing raw biomolecular sequences: the tokenization dilemma. Whether treating sequences as a specialized language, risking the loss of functional motif information, or as a separate modality, introducing formidable alignment challenges, current strategies fundamentally limit their reasoning capacity. We challenge this sequence-centric paradigm by positing that a more effective strategy is to provide Sci-LLMs with high-level structured context derived from established bioinformatics tools, thereby bypassing the need to interpret low-level noisy sequence data directly. Through a systematic comparison of leading Sci-LLMs on biological reasoning tasks, we tested three input modes: sequence-only, context-only, and a combination of both. Our findings are striking: the context-only approach consistently and substantially outperforms all other modes. Even more revealing, the inclusion of the raw sequence alongside its high-level context consistently degrades performance, indicating that raw sequences act as informational noise, even for models with specialized tokenization schemes. These results suggest that the primary strength of existing Sci-LLMs lies not in their nascent ability to interpret biomolecular syntax from scratch, but in their profound capacity for reasoning over structured, human-readable knowledge. Therefore, we argue for reframing Sci-LLMs not as sequence decoders, but as powerful reasoning engines over expert knowledge. This work lays the foundation for a new class of hybrid scientific AI agents, repositioning the developmental focus from direct sequence interpretation towards high-level knowledge synthesis. The code is available at https://github.com/opendatalab-raiser/CoKE.

  • 13 authors
·
Oct 27, 2025

GeoBridge: Evolving Transferable Decoder Topologies for Geometric Vision

Depth estimation and Gaussian reconstruction share a need for multi-scale feature processing, yet use different prediction interfaces and training objectives. Whether a decoder's internal computation can be optimized once and reused across these systems remains a structural design question. Search over primitive configurations alone leaves the organization of transformations fixed. To address this gap, we propose GeoBridge, an evolutionary framework for transferable decoder topologies. First, GeoBridge makes stage-internal topology searchable through residual, sequential, and parallel composition of configurable primitives. Shape-preserving composition retains the stage interfaces of a fixed multi-scale scaffold. Second, a functional-tree encoding supports stage-aware crossover and hierarchical mutation, while a gradient sensitivity-alignment proxy evaluates candidates without training. Multi-objective evolution balances this proxy with computation and parameter cost. Third, selected topologies are instantiated and trained in target systems with task-specific prediction interfaces. A single source search takes approximately 12 GPU hours. GeoBridgeNet-A3 achieves the best depth accuracy among four adapted decoder baselines under a common encoder and training protocol on NYU Depth V2 and KITTI. The same topology reaches 27.11 dB PSNR in Gaussian novel-view synthesis on RealEstate10K, and its refined representations support open-vocabulary segmentation on LERF. These results support decoder topology as a reusable design object across the evaluated geometric vision systems. Code and pretrained weights are available at https://github.com/EMI-Group/GeoBridge-NAS.

  • 3 authors
·
Oct 10

Stable by Construction: Variational Latent Markov Operators for Long-Horizon PDE Prediction

Neural PDE solvers provide efficient surrogates for time-dependent physical systems, but autoregressive prediction over long horizons remains challenging because local errors can induce distribution shift and accumulate under recursive deployment. We develop a variational approach to this problem by introducing latent Markov dynamics in which physical states are represented by latent distributions and evolved through probabilistic transitions. The framework is formulated directly on function spaces and specialized to functional Gaussian models, where structured latent perturbations induce a spectral geometry and variational transition alignment regularizes the learned dynamics. We further analyze how these mechanisms affect autoregressive error propagation, providing a theoretical connection between variational training and long-horizon prediction. We instantiate the framework as the Variational Autoencoding Markov Operator (VAMO), which combines spatially resolved latent fields, structured Gaussian perturbations, and a neural-operator transition. Empirically, we demonstrate the effectiveness of VAMO on several fluid-dynamics benchmarks with prediction horizons extending substantially beyond those represented during training, where it consistently reduces error accumulation and improves rollout stability over several deterministic and noise-injection baselines. Overall, these results highlight variational modeling as a complementary approach to robust long-horizon neural PDE dynamics.

  • 3 authors
·
Sep 14

EvoLen: Evolution-Guided Tokenization for DNA Language Model

Tokens serve as the basic units of representation in DNA language models (DNALMs), yet their design remains underexplored. Unlike natural language, DNA lacks inherent token boundaries or predefined compositional rules, making tokenization a fundamental modeling decision rather than a naturally specified one. While existing approaches like byte-pair encoding (BPE) excel at capturing token structures that reflect human-generated linguistic regularities, DNA is organized by biological function and evolutionary constraint rather than linguistic convention. We argue that DNA tokenization should prioritize functional sequence patterns like regulatory motifs-short, recurring segments under evolutionary constraint and typically preserved across species. We incorporate evolutionary information directly into the tokenization process through EvoLen, a tokenizer that combines evolutionary stratification with length-aware decoding to better preserve motif-scale functional sequence units. EvoLen uses cross-species evolutionary signals to group DNA sequences, trains separate BPE tokenizers on each group, merges the resulting vocabularies via a rule prioritizing preserved patterns, and applies length-aware decoding with dynamic programming. Through controlled experiments, EvoLen improves the preservation of functional sequence patterns, differentiation across genomic contexts, and alignment with evolutionary constraint, while matching or outperforming standard BPE across diverse DNALM benchmarks. These results demonstrate that tokenization introduces a critical inductive bias and that incorporating evolutionary information yields more biologically meaningful and interpretable sequence representations.

  • 7 authors
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Apr 8

A general language model for peptide identification

Advances in peptide identification are revolutionizing our ability to decipher protein functions and accelerate therapeutic discovery. We present PDeepPP, a deep learning framework that integrates pretrained protein language models with parallel transformer-CNN architectures, achieving state-of-the-art performance in peptide characterization tasks. The model's hybrid architecture demonstrates unique capabilities in capturing both local sequence motifs and global structural features, as evidenced by 29% improved cluster separation in UMAP visualizations compared to conventional approaches. Evaluated across 33 biological recognition tasks - including post-translational modification site prediction and bioactive peptide identification - PDeepPP outperformed existing methods in 25 tasks with average AUC improvements of 4.2%. Notably, it achieved 0.9726 accuracy with PR AUC 0.9977 in antimicrobial peptide detection while reducing false negatives by 37.5% in antimalarial recognition scenarios. This framework enables accurate large-scale peptide analysis, achieving 218* acceleration over sequence-alignment-based methods while maintaining 99.5% specificity in critical glycosylation site detection.PDeepPP establishes a new paradigm for computational peptide analysis through its synergistic architecture design, enabling rapid yet precise functional annotation that bridges molecular pattern recognition with translational biomedical applications.We have made our implementation, including code, data, and pretrained models, publicly available via GitHub (https://github.com/fondress/PDeepPP) and Hugging Face (https://huggingface.co/fondress/PDeppPP).

  • 8 authors
·
Feb 21, 2025

Simulation-to-real transfer learning for infrared spectroscopic chemical sensing and analysis from molecules to complex samples

Infrared (IR) spectroscopy is widely used for chemical sensing, but extracting reliable chemical information from spectra remains challenging. Conventional interpretation is labor-intensive, relies on prior knowledge and reference spectra, and is difficult to scale, whereas most machine-learning methods are tailored to individual tasks or datasets, require large labeled training sets, and transfer poorly across analytical objectives and experimental datasets. Here we introduce UltraIR, a foundation model for IR spectroscopy with more than 100 million parameters that enables simulation-to-real transfer learning for chemical sensing and analysis from molecules to complex samples. UltraIR is pretrained on approximately 60 million simulated IR spectra using spectral reconstruction, molecular fingerprint similarity alignment, and functional-group prediction, then adapted to downstream objectives with task-specific labels or targets. Across functional-group prediction, molecular structure elucidation, physicochemical property prediction, mixture-component identification and quantification, bacterial classification, medicinal-herb geographic origin traceability and constituent quantification, microplastics classification, and soil property prediction, UltraIR outperforms conventional machine-learning and task-specific deep-learning baselines. It performs strongly with limited labeled experimental spectra and in zero-shot inference for the same analytical task across Fourier-transform infrared spectrometers and laboratories, providing a route to adaptable, data-efficient chemical sensing from complex real-world samples.

  • 11 authors
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Aug 13

EchoDiST: Self-distillation-based joint learning for diffusion-conditioned echocardiographic myocardial motion estimation

Motion estimation in echocardiography is essential for quantitative assessment of cardiac function and myocardial mechanics, but remains challenging due to image artifacts, limited image information, speckle decorrelation, and the scarcity of ground-truth displacement fields. Anatomy-guided approaches can provide structural information, yet often rely on expert-labeled myocardial segmentations. We propose EchoDiST, a framework for unsupervised echocardiographic myocardial motion estimation that integrates self-distillation-based joint learning with a diffusion-conditioned motion estimation network. Here, unsupervised motion estimation refers to learning without ground-truth displacement fields. The self-distillation strategy jointly optimizes anatomical segmentation and myocardial motion estimation under limited anatomical annotations. Diffusion-based conditioning is used during training with stochastic perturbations, while inference requires only a single deterministic forward pass without iterative reverse-diffusion sampling. EchoDiST was evaluated on three echocardiographic datasets, including two external test datasets under cross-view and cross-dataset settings. Compared with seven representative learning-based methods, EchoDiST consistently improved anatomical alignment, myocardial strain assessment, and motion-derived functional and cardiac-phase assessment. These gains were statistically significant across the evaluated tasks and datasets. Overall, EchoDiST provides an effective approach for reliable myocardial motion estimation under limited anatomical supervision and supports downstream quantitative assessment of cardiac function.

  • 3 authors
·
Oct 7

From Instructions to Intrinsic Human Values -- A Survey of Alignment Goals for Big Models

Big models, exemplified by Large Language Models (LLMs), are models typically pre-trained on massive data and comprised of enormous parameters, which not only obtain significantly improved performance across diverse tasks but also present emergent capabilities absent in smaller models. However, the growing intertwining of big models with everyday human lives poses potential risks and might cause serious social harm. Therefore, many efforts have been made to align LLMs with humans to make them better follow user instructions and satisfy human preferences. Nevertheless, `what to align with' has not been fully discussed, and inappropriate alignment goals might even backfire. In this paper, we conduct a comprehensive survey of different alignment goals in existing work and trace their evolution paths to help identify the most essential goal. Particularly, we investigate related works from two perspectives: the definition of alignment goals and alignment evaluation. Our analysis encompasses three distinct levels of alignment goals and reveals a goal transformation from fundamental abilities to value orientation, indicating the potential of intrinsic human values as the alignment goal for enhanced LLMs. Based on such results, we further discuss the challenges of achieving such intrinsic value alignment and provide a collection of available resources for future research on the alignment of big models.

  • 5 authors
·
Aug 23, 2023

Transfer Q Star: Principled Decoding for LLM Alignment

Aligning foundation models is essential for their safe and trustworthy deployment. However, traditional fine-tuning methods are computationally intensive and require updating billions of model parameters. A promising alternative, alignment via decoding, adjusts the response distribution directly without model updates to maximize a target reward r, thus providing a lightweight and adaptable framework for alignment. However, principled decoding methods rely on oracle access to an optimal Q-function (Q^*), which is often unavailable in practice. Hence, prior SoTA methods either approximate this Q^* using Q^{pi_{sft}} (derived from the reference SFT model) or rely on short-term rewards, resulting in sub-optimal decoding performance. In this work, we propose Transfer Q^*, which implicitly estimates the optimal value function for a target reward r through a baseline model rho_{BL} aligned with a baseline reward rho_{BL} (which can be different from the target reward r). Theoretical analyses of Transfer Q^* provide a rigorous characterization of its optimality, deriving an upper bound on the sub-optimality gap and identifying a hyperparameter to control the deviation from the pre-trained reference SFT model based on user needs. Our approach significantly reduces the sub-optimality gap observed in prior SoTA methods and demonstrates superior empirical performance across key metrics such as coherence, diversity, and quality in extensive tests on several synthetic and real datasets.

  • 7 authors
·
May 30, 2024

Baichuan Alignment Technical Report

We introduce Baichuan Alignment, a detailed analysis of the alignment techniques employed in the Baichuan series of models. This represents the industry's first comprehensive account of alignment methodologies, offering valuable insights for advancing AI research. We investigate the critical components that enhance model performance during the alignment process, including optimization methods, data strategies, capability enhancements, and evaluation processes. The process spans three key stages: Prompt Augmentation System (PAS), Supervised Fine-Tuning (SFT), and Preference Alignment. The problems encountered, the solutions applied, and the improvements made are thoroughly recorded. Through comparisons across well-established benchmarks, we highlight the technological advancements enabled by Baichuan Alignment. Baichuan-Instruct is an internal model, while Qwen2-Nova-72B and Llama3-PBM-Nova-70B are instruct versions of the Qwen2-72B and Llama-3-70B base models, optimized through Baichuan Alignment. Baichuan-Instruct demonstrates significant improvements in core capabilities, with user experience gains ranging from 17% to 28%, and performs exceptionally well on specialized benchmarks. In open-source benchmark evaluations, both Qwen2-Nova-72B and Llama3-PBM-Nova-70B consistently outperform their respective official instruct versions across nearly all datasets. This report aims to clarify the key technologies behind the alignment process, fostering a deeper understanding within the community. Llama3-PBM-Nova-70B model is available at https://huggingface.co/PKU-Baichuan-MLSystemLab/Llama3-PBM-Nova-70B.

  • 25 authors
·
Oct 18, 2024 2

Alignment and Safety in Large Language Models: Safety Mechanisms, Training Paradigms, and Emerging Challenges

Due to the remarkable capabilities and growing impact of large language models (LLMs), they have been deeply integrated into many aspects of society. Thus, ensuring their alignment with human values and intentions has emerged as a critical challenge. This survey provides a comprehensive overview of practical alignment techniques, training protocols, and empirical findings in LLM alignment. We analyze the development of alignment methods across diverse paradigms, characterizing the fundamental trade-offs between core alignment objectives. Our analysis shows that while supervised fine-tuning enables basic instruction-following, preference-based methods offer more flexibility for aligning with nuanced human intent. We discuss state-of-the-art techniques, including Direct Preference Optimization (DPO), Constitutional AI, brain-inspired methods, and alignment uncertainty quantification (AUQ), highlighting their approaches to balancing quality and efficiency. We review existing evaluation frameworks and benchmarking datasets, emphasizing limitations such as reward misspecification, distributional robustness, and scalable oversight. We summarize strategies adopted by leading AI labs to illustrate the current state of practice. We conclude by outlining open problems in oversight, value pluralism, robustness, and continuous alignment. This survey aims to inform both researchers and practitioners navigating the evolving landscape of LLM alignment.

  • 50 authors
·
Jul 25, 2025

DiffuMatch: Category-Agnostic Spectral Diffusion Priors for Robust Non-rigid Shape Matching

Deep functional maps have recently emerged as a powerful tool for solving non-rigid shape correspondence tasks. Methods that use this approach combine the power and flexibility of the functional map framework, with data-driven learning for improved accuracy and generality. However, most existing methods in this area restrict the learning aspect only to the feature functions and still rely on axiomatic modeling for formulating the training loss or for functional map regularization inside the networks. This limits both the accuracy and the applicability of the resulting approaches only to scenarios where assumptions of the axiomatic models hold. In this work, we show, for the first time, that both in-network regularization and functional map training can be replaced with data-driven methods. For this, we first train a generative model of functional maps in the spectral domain using score-based generative modeling, built from a large collection of high-quality maps. We then exploit the resulting model to promote the structural properties of ground truth functional maps on new shape collections. Remarkably, we demonstrate that the learned models are category-agnostic, and can fully replace commonly used strategies such as enforcing Laplacian commutativity or orthogonality of functional maps. Our key technical contribution is a novel distillation strategy from diffusion models in the spectral domain. Experiments demonstrate that our learned regularization leads to better results than axiomatic approaches for zero-shot non-rigid shape matching. Our code is available at: https://github.com/daidedou/diffumatch/

  • 4 authors
·
Jul 31, 2025

Preference-Oriented Supervised Fine-Tuning: Favoring Target Model Over Aligned Large Language Models

Alignment, endowing a pre-trained Large language model (LLM) with the ability to follow instructions, is crucial for its real-world applications. Conventional supervised fine-tuning (SFT) methods formalize it as causal language modeling typically with a cross-entropy objective, requiring a large amount of high-quality instruction-response pairs. However, the quality of widely used SFT datasets can not be guaranteed due to the high cost and intensive labor for the creation and maintenance in practice. To overcome the limitations associated with the quality of SFT datasets, we introduce a novel preference-oriented supervised fine-tuning approach, namely PoFT. The intuition is to boost SFT by imposing a particular preference: favoring the target model over aligned LLMs on the same SFT data. This preference encourages the target model to predict a higher likelihood than that predicted by the aligned LLMs, incorporating assessment information on data quality (i.e., predicted likelihood by the aligned LLMs) into the training process. Extensive experiments are conducted, and the results validate the effectiveness of the proposed method. PoFT achieves stable and consistent improvements over the SFT baselines across different training datasets and base models. Moreover, we prove that PoFT can be integrated with existing SFT data filtering methods to achieve better performance, and further improved by following preference optimization procedures, such as DPO.

  • 6 authors
·
Dec 17, 2024

Large Language Model Alignment: A Survey

Recent years have witnessed remarkable progress made in large language models (LLMs). Such advancements, while garnering significant attention, have concurrently elicited various concerns. The potential of these models is undeniably vast; however, they may yield texts that are imprecise, misleading, or even detrimental. Consequently, it becomes paramount to employ alignment techniques to ensure these models to exhibit behaviors consistent with human values. This survey endeavors to furnish an extensive exploration of alignment methodologies designed for LLMs, in conjunction with the extant capability research in this domain. Adopting the lens of AI alignment, we categorize the prevailing methods and emergent proposals for the alignment of LLMs into outer and inner alignment. We also probe into salient issues including the models' interpretability, and potential vulnerabilities to adversarial attacks. To assess LLM alignment, we present a wide variety of benchmarks and evaluation methodologies. After discussing the state of alignment research for LLMs, we finally cast a vision toward the future, contemplating the promising avenues of research that lie ahead. Our aspiration for this survey extends beyond merely spurring research interests in this realm. We also envision bridging the gap between the AI alignment research community and the researchers engrossed in the capability exploration of LLMs for both capable and safe LLMs.

  • 9 authors
·
Sep 26, 2023

Learning to Align, Aligning to Learn: A Unified Approach for Self-Optimized Alignment

Alignment methodologies have emerged as a critical pathway for enhancing language model alignment capabilities. While SFT (supervised fine-tuning) accelerates convergence through direct token-level loss intervention, its efficacy is constrained by offline policy trajectory. In contrast, RL(reinforcement learning) facilitates exploratory policy optimization, but suffers from low sample efficiency and stringent dependency on high-quality base models. To address these dual challenges, we propose GRAO (Group Relative Alignment Optimization), a unified framework that synergizes the respective strengths of SFT and RL through three key innovations: 1) A multi-sample generation strategy enabling comparative quality assessment via reward feedback; 2) A novel Group Direct Alignment Loss formulation leveraging intra-group relative advantage weighting; 3) Reference-aware parameter updates guided by pairwise preference dynamics. Our theoretical analysis establishes GRAO's convergence guarantees and sample efficiency advantages over conventional approaches. Comprehensive evaluations across complex human alignment tasks demonstrate GRAO's superior performance, achieving 57.70\%,17.65\% 7.95\% and 5.18\% relative improvements over SFT, DPO, PPO and GRPO baselines respectively. This work provides both a theoretically grounded alignment framework and empirical evidence for efficient capability evolution in language models.

  • 15 authors
·
Aug 11, 2025 2

Learning Multi-resolution Functional Maps with Spectral Attention for Robust Shape Matching

In this work, we present a novel non-rigid shape matching framework based on multi-resolution functional maps with spectral attention. Existing functional map learning methods all rely on the critical choice of the spectral resolution hyperparameter, which can severely affect the overall accuracy or lead to overfitting, if not chosen carefully. In this paper, we show that spectral resolution tuning can be alleviated by introducing spectral attention. Our framework is applicable in both supervised and unsupervised settings, and we show that it is possible to train the network so that it can adapt the spectral resolution, depending on the given shape input. More specifically, we propose to compute multi-resolution functional maps that characterize correspondence across a range of spectral resolutions, and introduce a spectral attention network that helps to combine this representation into a single coherent final correspondence. Our approach is not only accurate with near-isometric input, for which a high spectral resolution is typically preferred, but also robust and able to produce reasonable matching even in the presence of significant non-isometric distortion, which poses great challenges to existing methods. We demonstrate the superior performance of our approach through experiments on a suite of challenging near-isometric and non-isometric shape matching benchmarks.

  • 3 authors
·
Oct 11, 2022

Positive Alignment: Artificial Intelligence for Human Flourishing

Existing alignment research is dominated by concerns about safety and preventing harm: safeguards, controllability, and compliance. This paradigm of alignment parallels early psychology's focus on mental illness: necessary but incomplete. What we call Positive Alignment is the development of AI systems that (i) actively support human and ecological flourishing in a pluralistic, polycentric, context-sensitive, and user-authored way while (ii) remaining safe and cooperative. It is a distinct and necessary agenda within AI alignment research. We argue that several existing failures of alignment (e.g., engagement hacking, loss of human autonomy, failures in truth-seeking, low epistemic humility, error correction, lack of diverse viewpoints, and being primarily reactive rather than proactive) may be better addressed through positive alignment, including cultivating virtues and maximizing human flourishing. We highlight a range of challenges, open questions, and technical directions (e.g., data filtering and upsampling, pre- and post-training, evaluations, collaborative value collection) for different phases of the LLM and agents lifecycle. We end with design principles for promoting disagreement and decentralization through contextual grounding, community customization, continual adaptation, and polycentric governance; that is, many legitimate centers of oversight rather than one institutional or moral chokepoint.

  • 16 authors
·
Jun 18

Efficient Alignment of Large Language Models via Data Sampling

LLM alignment ensures that large language models behave safely and effectively by aligning their outputs with human values, goals, and intentions. Aligning LLMs employ huge amounts of data, computation, and time. Moreover, curating data with human feedback is expensive and takes time. Recent research depicts the benefit of data engineering in the fine-tuning and pre-training paradigms to bring down such costs. However, alignment differs from the afore-mentioned paradigms and it is unclear if data efficient alignment is feasible. In this work, we first aim to understand how the performance of LLM alignment scales with data. We find out that LLM alignment performance follows an exponential plateau pattern which tapers off post a rapid initial increase. Based on this, we identify data subsampling as a viable method to reduce resources required for alignment. Further, we propose an information theory-based methodology for efficient alignment by identifying a small high quality subset thereby reducing the computation and time required by alignment. We evaluate the proposed methodology over multiple datasets and compare the results. We find that the model aligned using our proposed methodology outperforms other sampling methods and performs comparable to the model aligned with the full dataset while using less than 10% data, leading to greater than 90% savings in costs, resources, and faster LLM alignment.

  • 3 authors
·
Nov 15, 2024

CM^3: Calibrating Multimodal Recommendation

Alignment and uniformity are fundamental principles within the domain of contrastive learning. In recommender systems, prior work has established that optimizing the Bayesian Personalized Ranking (BPR) loss contributes to the objectives of alignment and uniformity. Specifically, alignment aims to draw together the representations of interacting users and items, while uniformity mandates a uniform distribution of user and item embeddings across a unit hypersphere. This study revisits the alignment and uniformity properties within the context of multimodal recommender systems, revealing a proclivity among extant models to prioritize uniformity to the detriment of alignment. Our hypothesis challenges the conventional assumption of equitable item treatment through a uniformity loss, proposing a more nuanced approach wherein items with similar multimodal attributes converge toward proximal representations within the hyperspheric manifold. Specifically, we leverage the inherent similarity between items' multimodal data to calibrate their uniformity distribution, thereby inducing a more pronounced repulsive force between dissimilar entities within the embedding space. A theoretical analysis elucidates the relationship between this calibrated uniformity loss and the conventional uniformity function. Moreover, to enhance the fusion of multimodal features, we introduce a Spherical B\'ezier method designed to integrate an arbitrary number of modalities while ensuring that the resulting fused features are constrained to the same hyperspherical manifold. Empirical evaluations conducted on five real-world datasets substantiate the superiority of our approach over competing baselines. We also shown that the proposed methods can achieve up to a 5.4% increase in NDCG@20 performance via the integration of MLLM-extracted features. Source code is available at: https://github.com/enoche/CM3.

  • 3 authors
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Aug 2, 2025 2

Dynamic Normativity: Necessary and Sufficient Conditions for Value Alignment

The critical inquiry pervading the realm of Philosophy, and perhaps extending its influence across all Humanities disciplines, revolves around the intricacies of morality and normativity. Surprisingly, in recent years, this thematic thread has woven its way into an unexpected domain, one not conventionally associated with pondering "what ought to be": the field of artificial intelligence (AI) research. Central to morality and AI, we find "alignment", a problem related to the challenges of expressing human goals and values in a manner that artificial systems can follow without leading to unwanted adversarial effects. More explicitly and with our current paradigm of AI development in mind, we can think of alignment as teaching human values to non-anthropomorphic entities trained through opaque, gradient-based learning techniques. This work addresses alignment as a technical-philosophical problem that requires solid philosophical foundations and practical implementations that bring normative theory to AI system development. To accomplish this, we propose two sets of necessary and sufficient conditions that, we argue, should be considered in any alignment process. While necessary conditions serve as metaphysical and metaethical roots that pertain to the permissibility of alignment, sufficient conditions establish a blueprint for aligning AI systems under a learning-based paradigm. After laying such foundations, we present implementations of this approach by using state-of-the-art techniques and methods for aligning general-purpose language systems. We call this framework Dynamic Normativity. Its central thesis is that any alignment process under a learning paradigm that cannot fulfill its necessary and sufficient conditions will fail in producing aligned systems.

  • 1 authors
·
Jun 16, 2024

Towards Bidirectional Human-AI Alignment: A Systematic Review for Clarifications, Framework, and Future Directions

Recent advancements in general-purpose AI have highlighted the importance of guiding AI systems towards the intended goals, ethical principles, and values of individuals and groups, a concept broadly recognized as alignment. However, the lack of clarified definitions and scopes of human-AI alignment poses a significant obstacle, hampering collaborative efforts across research domains to achieve this alignment. In particular, ML- and philosophy-oriented alignment research often views AI alignment as a static, unidirectional process (i.e., aiming to ensure that AI systems' objectives match humans) rather than an ongoing, mutual alignment problem [429]. This perspective largely neglects the long-term interaction and dynamic changes of alignment. To understand these gaps, we introduce a systematic review of over 400 papers published between 2019 and January 2024, spanning multiple domains such as Human-Computer Interaction (HCI), Natural Language Processing (NLP), Machine Learning (ML), and others. We characterize, define and scope human-AI alignment. From this, we present a conceptual framework of "Bidirectional Human-AI Alignment" to organize the literature from a human-centered perspective. This framework encompasses both 1) conventional studies of aligning AI to humans that ensures AI produces the intended outcomes determined by humans, and 2) a proposed concept of aligning humans to AI, which aims to help individuals and society adjust to AI advancements both cognitively and behaviorally. Additionally, we articulate the key findings derived from literature analysis, including discussions about human values, interaction techniques, and evaluations. To pave the way for future studies, we envision three key challenges for future directions and propose examples of potential future solutions.

  • 24 authors
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Jun 13, 2024

Align With Purpose: Optimize Desired Properties in CTC Models with a General Plug-and-Play Framework

Connectionist Temporal Classification (CTC) is a widely used criterion for training supervised sequence-to-sequence (seq2seq) models. It enables learning the relations between input and output sequences, termed alignments, by marginalizing over perfect alignments (that yield the ground truth), at the expense of imperfect alignments. This binary differentiation of perfect and imperfect alignments falls short of capturing other essential alignment properties that hold significance in other real-world applications. Here we propose Align With Purpose, a general Plug-and-Play framework for enhancing a desired property in models trained with the CTC criterion. We do that by complementing the CTC with an additional loss term that prioritizes alignments according to a desired property. Our method does not require any intervention in the CTC loss function, enables easy optimization of a variety of properties, and allows differentiation between both perfect and imperfect alignments. We apply our framework in the domain of Automatic Speech Recognition (ASR) and show its generality in terms of property selection, architectural choice, and scale of training dataset (up to 280,000 hours). To demonstrate the effectiveness of our framework, we apply it to two unrelated properties: emission time and word error rate (WER). For the former, we report an improvement of up to 570ms in latency optimization with a minor reduction in WER, and for the latter, we report a relative improvement of 4.5% WER over the baseline models. To the best of our knowledge, these applications have never been demonstrated to work on a scale of data as large as ours. Notably, our method can be implemented using only a few lines of code, and can be extended to other alignment-free loss functions and to domains other than ASR.

  • 11 authors
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Jul 4, 2023

Alignment between Brains and AI: Evidence for Convergent Evolution across Modalities, Scales and Training Trajectories

Artificial and biological systems may evolve similar computational solutions despite fundamental differences in architecture and learning mechanisms -- a form of convergent evolution. We demonstrate this phenomenon through large-scale analysis of alignment between human brain activity and internal representations of over 600 AI models spanning language and vision domains, from 1.33M to 72B parameters. Analyzing 60 million alignment measurements reveals that higher-performing models spontaneously develop stronger brain alignment without explicit neural constraints, with language models showing markedly stronger correlation (r=0.89, p<7.5e-13) than vision models (r=0.53, p<2.0e-44). Crucially, longitudinal analysis demonstrates that brain alignment consistently precedes performance improvements during training, suggesting that developing brain-like representations may be a necessary stepping stone toward higher capabilities. We find systematic patterns: language models exhibit strongest alignment with limbic and integrative regions, while vision models show progressive alignment with visual cortices; deeper processing layers converge across modalities; and as representational scale increases, alignment systematically shifts from primary sensory to higher-order associative regions. These findings provide compelling evidence that optimization for task performance naturally drives AI systems toward brain-like computational strategies, offering both fundamental insights into principles of intelligent information processing and practical guidance for developing more capable AI systems.

  • 5 authors
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Jun 17, 2025

Are formal and functional linguistic mechanisms dissociated in language models?

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

  • 3 authors
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Mar 14, 2025

Uncovering the Computational Ingredients of Human-Like Representations in LLMs

The ability to translate diverse patterns of inputs into structured patterns of behavior has been thought to rest on both humans' and machines' ability to learn robust representations of relevant concepts. The rapid advancement of transformer-based large language models (LLMs) has led to a diversity of computational ingredients -- architectures, fine tuning methods, and training datasets among others -- but it remains unclear which of these ingredients are most crucial for building models that develop human-like representations. Further, most current LLM benchmarks are not suited to measuring representational alignment between humans and models, making benchmark scores unreliable for assessing if current LLMs are making progress towards becoming useful cognitive models. We address these limitations by first evaluating a set of over 70 models that widely vary in their computational ingredients on a triplet similarity task, a method well established in the cognitive sciences for measuring human conceptual representations, using concepts from the THINGS database. Comparing human and model representations, we find that models that undergo instruction-finetuning and which have larger dimensionality of attention heads are among the most human aligned, while multimodal pretraining and parameter size have limited bearing on alignment. Correlations between alignment scores and scores on existing benchmarks reveal that while some benchmarks (e.g., MMLU) are better suited than others (e.g., MUSR) for capturing representational alignment, no existing benchmark is capable of fully accounting for the variance of alignment scores, demonstrating their insufficiency in capturing human-AI alignment. Taken together, our findings help highlight the computational ingredients most essential for advancing LLMs towards models of human conceptual representation and address a key benchmarking gap in LLM evaluation.

  • 4 authors
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Oct 1, 2025 2

Mixture-of-Instructions: Comprehensive Alignment of a Large Language Model through the Mixture of Diverse System Prompting Instructions

With the proliferation of large language models (LLMs), the comprehensive alignment of such models across multiple tasks has emerged as a critical area of research. Existing alignment methodologies primarily address single task, such as multi-turn dialogue, coding, mathematical problem-solving, and tool usage. However, AI-driven products that leverage language models usually necessitate a fusion of these abilities to function effectively in real-world scenarios. Moreover, the considerable computational resources required for proper alignment of LLMs underscore the need for a more robust, efficient, and encompassing approach to multi-task alignment, ensuring improved generative performance. In response to these challenges, we introduce a novel technique termed Mixture-of-Instructions (MoI), which employs a strategy of instruction concatenation combined with diverse system prompts to boost the alignment efficiency of language models. We have also compiled a diverse set of seven benchmark datasets to rigorously evaluate the alignment efficacy of the MoI-enhanced language model. Our methodology was applied to the open-source Qwen-7B-chat model, culminating in the development of Qwen-SFT-MoI. This enhanced model demonstrates significant advancements in generative capabilities across coding, mathematics, and tool use tasks.

  • 4 authors
·
Apr 28, 2024

InfiGUI-G1: Advancing GUI Grounding with Adaptive Exploration Policy Optimization

The emergence of Multimodal Large Language Models (MLLMs) has propelled the development of autonomous agents that operate on Graphical User Interfaces (GUIs) using pure visual input. A fundamental challenge is robustly grounding natural language instructions. This requires a precise spatial alignment, which accurately locates the coordinates of each element, and, more critically, a correct semantic alignment, which matches the instructions to the functionally appropriate UI element. Although Reinforcement Learning with Verifiable Rewards (RLVR) has proven to be effective at improving spatial alignment for these MLLMs, we find that inefficient exploration bottlenecks semantic alignment, which prevent models from learning difficult semantic associations. To address this exploration problem, we present Adaptive Exploration Policy Optimization (AEPO), a new policy optimization framework. AEPO employs a multi-answer generation strategy to enforce broader exploration, which is then guided by a theoretically grounded Adaptive Exploration Reward (AER) function derived from first principles of efficiency eta=U/C. Our AEPO-trained models, InfiGUI-G1-3B and InfiGUI-G1-7B, establish new state-of-the-art results across multiple challenging GUI grounding benchmarks, achieving significant relative improvements of up to 9.0% against the naive RLVR baseline on benchmarks designed to test generalization and semantic understanding. Resources are available at https://github.com/InfiXAI/InfiGUI-G1.

  • 13 authors
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Aug 7, 2025 2

MAP: Multi-Human-Value Alignment Palette

Ensuring that generative AI systems align with human values is essential but challenging, especially when considering multiple human values and their potential trade-offs. Since human values can be personalized and dynamically change over time, the desirable levels of value alignment vary across different ethnic groups, industry sectors, and user cohorts. Within existing frameworks, it is hard to define human values and align AI systems accordingly across different directions simultaneously, such as harmlessness, helpfulness, and positiveness. To address this, we develop a novel, first-principle approach called Multi-Human-Value Alignment Palette (MAP), which navigates the alignment across multiple human values in a structured and reliable way. MAP formulates the alignment problem as an optimization task with user-defined constraints, which define human value targets. It can be efficiently solved via a primal-dual approach, which determines whether a user-defined alignment target is achievable and how to achieve it. We conduct a detailed theoretical analysis of MAP by quantifying the trade-offs between values, the sensitivity to constraints, the fundamental connection between multi-value alignment and sequential alignment, and proving that linear weighted rewards are sufficient for multi-value alignment. Extensive experiments demonstrate MAP's ability to align multiple values in a principled manner while delivering strong empirical performance across various tasks.

  • 8 authors
·
Oct 24, 2024

Aligning Multimodal LLM with Human Preference: A Survey

Large language models (LLMs) can handle a wide variety of general tasks with simple prompts, without the need for task-specific training. Multimodal Large Language Models (MLLMs), built upon LLMs, have demonstrated impressive potential in tackling complex tasks involving visual, auditory, and textual data. However, critical issues related to truthfulness, safety, o1-like reasoning, and alignment with human preference remain insufficiently addressed. This gap has spurred the emergence of various alignment algorithms, each targeting different application scenarios and optimization goals. Recent studies have shown that alignment algorithms are a powerful approach to resolving the aforementioned challenges. In this paper, we aim to provide a comprehensive and systematic review of alignment algorithms for MLLMs. Specifically, we explore four key aspects: (1) the application scenarios covered by alignment algorithms, including general image understanding, multi-image, video, and audio, and extended multimodal applications; (2) the core factors in constructing alignment datasets, including data sources, model responses, and preference annotations; (3) the benchmarks used to evaluate alignment algorithms; and (4) a discussion of potential future directions for the development of alignment algorithms. This work seeks to help researchers organize current advancements in the field and inspire better alignment methods. The project page of this paper is available at https://github.com/BradyFU/Awesome-Multimodal-Large-Language-Models/tree/Alignment.

  • 17 authors
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Mar 18, 2025 3

The Realignment Problem: When Right becomes Wrong in LLMs

The alignment of Large Language Models (LLMs) with human values is central to their safe deployment, yet current practice produces static, brittle, and costly-to-maintain models that fail to keep pace with evolving norms and policies. This misalignment, which we term the Alignment-Reality Gap, poses a growing challenge for reliable long-term use. Existing remedies are inadequate: large-scale re-annotation is economically prohibitive, and standard unlearning methods act as blunt instruments that erode utility rather than enable precise policy updates. We introduce TRACE (Triage and Re-align by Alignment Conflict Evaluation), a framework for principled unlearning that reconceives re-alignment as a programmatic policy application problem. TRACE programmatically triages existing preference data against a new policy, identifies high-impact conflicts via a alignment impact score, and applies a hybrid optimization that cleanly inverts, discards, or preserves preferences while safeguarding model performance. Empirical results show that TRACE achieves robust re-alignment across diverse model families (Qwen2.5-7B, Gemma-2-9B, Llama-3.1-8B). On both synthetic benchmarks and the PKU-SafeRLHF dataset under complex policy shift, TRACE enforces new principles without degrading general capabilities. Our work establishes a scalable, dynamic, and cost-effective paradigm for maintaining LLM alignment, providing a foundation for sustainable and responsible AI deployment.

  • 5 authors
·
Nov 3, 2025

ProteinRPN: Towards Accurate Protein Function Prediction with Graph-Based Region Proposals

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

  • 3 authors
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Sep 1, 2024