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Jun 16

A Misclassification Network-Based Method for Comparative Genomic Analysis

Classifying genome sequences based on metadata has been an active area of research in comparative genomics for decades with many important applications across the life sciences. Established methods for classifying genomes can be broadly grouped into sequence alignment-based and alignment-free models. Conventional alignment-based models rely on genome similarity measures calculated based on local sequence alignments or consistent ordering among sequences. However, such methods are computationally expensive when dealing with large ensembles of even moderately sized genomes. In contrast, alignment-free (AF) approaches measure genome similarity based on summary statistics in an unsupervised setting and are efficient enough to analyze large datasets. However, both alignment-based and AF methods typically assume fixed scoring rubrics that lack the flexibility to assign varying importance to different parts of the sequences based on prior knowledge. In this study, we integrate AI and network science approaches to develop a comparative genomic analysis framework that addresses these limitations. Our approach, termed the Genome Misclassification Network Analysis (GMNA), simultaneously leverages misclassified instances, a learned scoring rubric, and label information to classify genomes based on associated metadata and better understand potential drivers of misclassification. We evaluate the utility of the GMNA using Naive Bayes and convolutional neural network models, supplemented by additional experiments with transformer-based models, to construct SARS-CoV-2 sampling location classifiers using over 500,000 viral genome sequences and study the resulting network of misclassifications. We demonstrate the global health potential of the GMNA by leveraging the SARS-CoV-2 genome misclassification networks to investigate the role human mobility played in structuring geographic clustering of SARS-CoV-2.

  • 3 authors
·
Dec 9, 2024

Beyond Pattern Matching: Seven Cross-Domain Techniques for Prompt Injection Detection

Current open-source prompt-injection detectors converge on two architectural choices: regular-expression pattern matching and fine-tuned transformer classifiers. Both share failure modes that recent work has made concrete. Regular expressions miss paraphrased attacks. Fine-tuned classifiers are vulnerable to adaptive adversaries: a 2025 NAACL Findings study reported that eight published indirect-injection defenses were bypassed with greater than fifty percent attack success rates under adaptive attacks. This work proposes seven detection techniques that each port a specific mechanism from a discipline outside large-language-model security: forensic linguistics, materials-science fatigue analysis, deception technology from network security, local-sequence alignment from bioinformatics, mechanism design from economics, spectral signal analysis from epidemiology, and taint tracking from compiler theory. Three of the seven techniques are implemented in the prompt-shield v0.4.1 release (Apache 2.0) and evaluated in a four-configuration ablation across six datasets including deepset/prompt-injections, NotInject, LLMail-Inject, AgentHarm, and AgentDojo. The local-alignment detector lifts F1 on deepset from 0.033 to 0.378 with zero additional false positives. The stylometric detector adds 11.1 percentage points of F1 on an indirect-injection benchmark. The fatigue tracker is validated via a probing-campaign integration test. All code, data, and reproduction scripts are released under Apache 2.0.

  • 1 authors
·
May 17

Multicell-Fold: geometric learning in folding multicellular life

During developmental processes such as embryogenesis, how a group of cells fold into specific structures, is a central question in biology that defines how living organisms form. Establishing tissue-level morphology critically relies on how every single cell decides to position itself relative to its neighboring cells. Despite its importance, it remains a major challenge to understand and predict the behavior of every cell within the living tissue over time during such intricate processes. To tackle this question, we propose a geometric deep learning model that can predict multicellular folding and embryogenesis, accurately capturing the highly convoluted spatial interactions among cells. We demonstrate that multicellular data can be represented with both granular and foam-like physical pictures through a unified graph data structure, considering both cellular interactions and cell junction networks. We successfully use our model to achieve two important tasks, interpretable 4-D morphological sequence alignment, and predicting local cell rearrangements before they occur at single-cell resolution. Furthermore, using an activation map and ablation studies, we demonstrate that cell geometries and cell junction networks together regulate local cell rearrangement which is critical for embryo morphogenesis. This approach provides a novel paradigm to study morphogenesis, highlighting a unified data structure and harnessing the power of geometric deep learning to accurately model the mechanisms and behaviors of cells during development. It offers a pathway toward creating a unified dynamic morphological atlas for a variety of developmental processes such as embryogenesis.

  • 5 authors
·
Jul 9, 2024

Soft-MSM: Differentiable Context-Aware Elastic Alignment for Time Series

Elastic distances like dynamic time warping (DTW) are central to time series machine learning because they compare sequences under local temporal misalignment. Soft-DTW is an adaptation of DTW that can be used as a gradient-based loss by replacing the hard minimum in its dynamic-programming recursion with a smooth relaxation. However, this approach does not directly extend to elastic distances whose transition costs depend on the local alignment context. Move-Split-Merge (MSM) is one such distance: it uses context-aware split and merge penalties and has often outperformed DTW in supervised and unsupervised time series machine learning tasks such as classification and clustering. We introduce Soft-MSM, a smooth relaxation of MSM and an elastic alignment loss with context-aware transition costs. Central to the formulation is a smooth gated surrogate for MSM's piecewise split/merge cost, which enables gradients through both the dynamic-programming recursion and the local transition structure. We derive the forward recursion, backward recursion, soft alignment matrix, closed-form gradient, limiting behaviour, and divergence-corrected formulation. Experiments on 112 UCR datasets show that Soft-MSM gives lower MSM barycentre loss than existing MSM barycentre methods, and yields significantly better clustering and nearest-centroid classification performance than Soft-DTW-based alternatives. An implementation is available in the open-source aeon toolkit.

  • 2 authors
·
Apr 29

Embed-Search-Align: DNA Sequence Alignment using Transformer Models

DNA sequence alignment involves assigning short DNA reads to the most probable locations on an extensive reference genome. This process is crucial for various genomic analyses, including variant calling, transcriptomics, and epigenomics. Conventional methods, refined over decades, tackle this challenge in 2 steps: genome indexing followed by efficient search to locate likely positions for given reads. Building on the success of Large Language Models in encoding text into embeddings, where the distance metric captures semantic similarity, recent efforts have explored whether the same Transformer architecture can produce embeddings for DNA sequences. Such models have shown early promise in classifying short DNA sequences, such as detecting coding/non-coding regions, and enhancer, promoter sequences. However, performance at sequence classification tasks does not translate to sequence alignment, where it is necessary to search across the genome to align each read, a significantly longer-range task. We bridge this gap by framing the Sequence Alignment task for Transformer models as an "Embed-Search-Align" task. In this framework, a novel Reference-Free DNA Embedding model generates embeddings of reads and reference fragments, which are projected into a shared vector space where the read-fragment distance is used as a surrogate for alignment. Technical contributions include: (1) Contrastive loss for self-supervised training of DNA sequence representations, facilitating rich reference-free, sequence-level embeddings, and (2) a DNA vector store to enable search across fragments on a global scale. DNA-ESA is 99% accurate when aligning 250-length reads onto a human genome (3gb), rivaling conventional methods such as Bowtie and BWA-Mem. DNA-ESA exceeds the performance of 6 Transformer model baselines such as Nucleotide Transformer, Hyena-DNA, and shows task transfer across chromosomes and species.

  • 8 authors
·
Sep 20, 2023

Accelerating Diffusion LLM Inference via Local Determinism Propagation

Diffusion large language models (dLLMs) represent a significant advancement in text generation, offering parallel token decoding capabilities. However, existing open-source implementations suffer from quality-speed trade-offs that impede their practical deployment. Conservative sampling strategies typically decode only the most confident token per step to ensure quality (i.e., greedy decoding), at the cost of inference efficiency due to repeated redundant refinement iterations--a phenomenon we term delayed decoding. Through systematic analysis of dLLM decoding dynamics, we characterize this delayed decoding behavior and propose a training-free adaptive parallel decoding strategy, named LocalLeap, to address these inefficiencies. LocalLeap is built on two fundamental empirical principles: local determinism propagation centered on high-confidence anchors and progressive spatial consistency decay. By applying these principles, LocalLeap identifies anchors and performs localized relaxed parallel decoding within bounded neighborhoods, achieving substantial inference step reduction through early commitment of already-determined tokens without compromising output quality. Comprehensive evaluation on various benchmarks demonstrates that LocalLeap achieves 6.94times throughput improvements and reduces decoding steps to just 14.2\% of the original requirement, achieving these gains with negligible performance impact. The source codes are available at: https://github.com/friedrichor/LocalLeap.

  • 7 authors
·
Oct 8, 2025

Astrolabe: Steering Forward-Process Reinforcement Learning for Distilled Autoregressive Video Models

Distilled autoregressive (AR) video models enable efficient streaming generation but frequently misalign with human visual preferences. Existing reinforcement learning (RL) frameworks are not naturally suited to these architectures, typically requiring either expensive re-distillation or solver-coupled reverse-process optimization that introduces considerable memory and computational overhead. We present Astrolabe, an efficient online RL framework tailored for distilled AR models. To overcome existing bottlenecks, we introduce a forward-process RL formulation based on negative-aware fine-tuning. By contrasting positive and negative samples directly at inference endpoints, this approach establishes an implicit policy improvement direction without requiring reverse-process unrolling. To scale this alignment to long videos, we propose a streaming training scheme that generates sequences progressively via a rolling KV-cache, applying RL updates exclusively to local clip windows while conditioning on prior context to ensure long-range coherence. Finally, to mitigate reward hacking, we integrate a multi-reward objective stabilized by uncertainty-aware selective regularization and dynamic reference updates. Extensive experiments demonstrate that our method consistently enhances generation quality across multiple distilled AR video models, serving as a robust and scalable alignment solution.

  • 9 authors
·
Mar 17 7

p-adic Bi-Filtrations for Topological Machine Learning on Genomic Sequences

We introduce pVR, a topological machine learning framework for alignment-free genomic sequence classification that combines p-adic numbers with topological data analysis. Each DNA sequence is encoded along two complementary axes: a p-adic distance on k-mer prefixes, which captures hierarchical positional structure, and a compositional L_1 distance on k-mer frequencies, which captures local sequence content. The two distances jointly parameterise a bi-filtered Vietoris--Rips complex, and per-sequence topological summaries from this bi-filtration serve as features for standard machine learning classifiers. We establish theoretical guarantees for the construction: stability under metric perturbations and invariance to the choice of prime, alongside a result that explains why a single p-adic axis is topologically uninformative and why the bi-filtration recovers nontrivial homology. On twelve genomic benchmarks (28 to 500 sequences, 3 to 7 classes), pVR outperforms four established alignment-free baselines on three of six low-sample datasets, with gains of up to 21 percentage points; it underperforms only on a SARS-CoV-2 variant benchmark whose point-mutation divergence violates the hierarchical assumption, and all methods saturate in the large-sample regime. pVR also outperforms zero-shot frozen embeddings from the 500M-parameter Nucleotide Transformer v2 by 6.7 to 11.4 percentage points on three low-sample benchmarks. The pVR codebase is publicly available at https://github.com/MAHI-Group/pVR.

  • 2 authors
·
Jun 4

Find Central Dogma Again

In recent years, large language models (LLMs) have achieved state-of-the-art results in various biological sequence analysis tasks, such as sequence classification, structure prediction, and function prediction. Similar to advancements in AI for other scientific fields, deeper research into biological LLMs has begun to focus on using these models to rediscover important existing biological laws or uncover entirely new patterns in biological sequences.This study leverages GPT-like LLMs to utilize language transfer capabilities to rediscover the genetic code rules of the central dogma. In our experimental design, we transformed the central dogma into a binary classification problem of aligning DNA sequences with protein sequences, where positive examples are matching DNA and protein sequences, and negative examples are non-matching pairs.We first trained a GPT-2 model from scratch using a dataset comprising protein sequences, DNA sequences, and sequences from languages such as English and Chinese. Subsequently, we fine-tuned the model using the English similarity judgment dataset from PAWS-X. When tested on a dataset for DNA and protein sequence alignment judgment, the fine-tuned model achieved a classification accuracy of 76%. The study also analyzed factors contributing to this zero-shot capability, including model training stability and types of training data.This research demonstrates that LLMs can, through the transfer of natural language capabilities and solely relying on the analysis of sequences themselves, rediscover the central dogma without prior knowledge of it. This study opens a new door for AI-driven biological research.

  • 1 authors
·
Feb 10, 2025

Text-Video Retrieval with Global-Local Semantic Consistent Learning

Adapting large-scale image-text pre-training models, e.g., CLIP, to the video domain represents the current state-of-the-art for text-video retrieval. The primary approaches involve transferring text-video pairs to a common embedding space and leveraging cross-modal interactions on specific entities for semantic alignment. Though effective, these paradigms entail prohibitive computational costs, leading to inefficient retrieval. To address this, we propose a simple yet effective method, Global-Local Semantic Consistent Learning (GLSCL), which capitalizes on latent shared semantics across modalities for text-video retrieval. Specifically, we introduce a parameter-free global interaction module to explore coarse-grained alignment. Then, we devise a shared local interaction module that employs several learnable queries to capture latent semantic concepts for learning fine-grained alignment. Furthermore, an Inter-Consistency Loss (ICL) is devised to accomplish the concept alignment between the visual query and corresponding textual query, and an Intra-Diversity Loss (IDL) is developed to repulse the distribution within visual (textual) queries to generate more discriminative concepts. Extensive experiments on five widely used benchmarks (i.e., MSR-VTT, MSVD, DiDeMo, LSMDC, and ActivityNet) substantiate the superior effectiveness and efficiency of the proposed method. Remarkably, our method achieves comparable performance with SOTA as well as being nearly 220 times faster in terms of computational cost. Code is available at: https://github.com/zchoi/GLSCL.

  • 7 authors
·
May 21, 2024

Fast Controlled Generation from Language Models with Adaptive Weighted Rejection Sampling

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

  • 12 authors
·
Apr 7, 2025 2

Reducing Sequence Length by Predicting Edit Operations with Large Language Models

Large Language Models (LLMs) have demonstrated remarkable performance in various tasks and gained significant attention. LLMs are also used for local sequence transduction tasks, including grammatical error correction (GEC) and formality style transfer, where most tokens in a source text are kept unchanged. However, the models that generate all target tokens in such tasks have a tendency to simply copy the input text as is, without making needed changes, because the difference between input and output texts is minimal in the training data. This is also inefficient because the computational cost grows quadratically with the target sequence length with Transformer. This paper proposes predicting edit spans for the source text for local sequence transduction tasks. Representing an edit span with a position of the source text and corrected tokens, we can reduce the length of the target sequence and the computational cost for inference. We apply instruction tuning for LLMs on the supervision data of edit spans. Experiments show that the proposed method achieves comparable performance to the baseline in four tasks, paraphrasing, formality style transfer, GEC, and text simplification, despite reducing the length of the target text by as small as 21%. Furthermore, we report that the task-specific fine-tuning with the proposed method achieved state-of-the-art performance in the four tasks.

  • 2 authors
·
May 19, 2023

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
·
Mar 18, 2025 3

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

Magpie: Alignment Data Synthesis from Scratch by Prompting Aligned LLMs with Nothing

High-quality instruction data is critical for aligning large language models (LLMs). Although some models, such as Llama-3-Instruct, have open weights, their alignment data remain private, which hinders the democratization of AI. High human labor costs and a limited, predefined scope for prompting prevent existing open-source data creation methods from scaling effectively, potentially limiting the diversity and quality of public alignment datasets. Is it possible to synthesize high-quality instruction data at scale by extracting it directly from an aligned LLM? We present a self-synthesis method for generating large-scale alignment data named Magpie. Our key observation is that aligned LLMs like Llama-3-Instruct can generate a user query when we input only the left-side templates up to the position reserved for user messages, thanks to their auto-regressive nature. We use this method to prompt Llama-3-Instruct and generate 4 million instructions along with their corresponding responses. We perform a comprehensive analysis of the extracted data and select 300K high-quality instances. To compare Magpie data with other public instruction datasets, we fine-tune Llama-3-8B-Base with each dataset and evaluate the performance of the fine-tuned models. Our results indicate that in some tasks, models fine-tuned with Magpie perform comparably to the official Llama-3-8B-Instruct, despite the latter being enhanced with 10 million data points through supervised fine-tuning (SFT) and subsequent feedback learning. We also show that using Magpie solely for SFT can surpass the performance of previous public datasets utilized for both SFT and preference optimization, such as direct preference optimization with UltraFeedback. This advantage is evident on alignment benchmarks such as AlpacaEval, ArenaHard, and WildBench.

  • 7 authors
·
Jun 12, 2024 5

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

AILA--First Experiments with Localist Language Models

This paper presents the first empirical demonstration of controllable locality in transformer language models, a novel architectural framework that enables continuous control over the degree of representation localization through a tunable locality dial parameter. Unlike traditional language models that rely exclusively on distributed representations, our approach allows dynamic interpolation between highly interpretable localist encodings and efficient distributed representations without requiring model retraining. We conducted experiments on the WikiText corpus using a two-layer transformer architecture, systematically varying the locality parameter λ across the full spectrum from 1.0 (fully localist) to 0.0 (fully distributed). Our results demonstrate that localist configurations achieve dramatically lower attention entropy, with λ = 1.0 yielding 5.36 bits compared to 7.18 bits at λ = 0.0, while maintaining substantially higher pointer fidelity scores reflecting stronger alignment with rule-specified targets. Prediction experiments reveal that intermediate locality values optimize the tradeoff between interpretability and performance, with λ = 0.6 achieving test perplexity of 4.65 and accuracy of 84.7%. These findings establish that localist language models provide a practical framework for applications in regulated domains requiring both transparency and capability, offering precise mathematical control over the interpretability-performance spectrum through explicit penalty thresholds and information-theoretic design principles.

  • 1 authors
·
Nov 5, 2025

vstash: Local-First Hybrid Retrieval with Adaptive Fusion for LLM Agents

We present **vstash**, a local-first document memory system that combines vector similarity search with full-text keyword matching via Reciprocal Rank Fusion (RRF) and adaptive per-query IDF weighting. All data resides in a single SQLite file using sqlite-vec for approximate nearest neighbor search and FTS5 for keyword matching. We make four primary contributions. **(1)** Self-supervised embedding refinement via hybrid retrieval disagreement: across 753 BEIR queries on SciFact, NFCorpus, and FiQA, 74.5% produce top-10 disagreement between vector-heavy (vec=0.95, fts=0.05) and FTS-heavy (vec=0.05, fts=0.95) search (per-dataset rates 63.4% / 73.4% / 86.7%, Section 5.2), providing a free training signal without human labels. Fine-tuning BGE-small (33M params) with MultipleNegativesRankingLoss on 76K disagreement triples improves NDCG@10 on all 5 BEIR datasets (up to +19.5% on NFCorpus vs. BGE-small base RRF, Table 6). On 3 of 5 datasets, under different preprocessing, the tuned 33M-parameter pipeline matches or exceeds published ColBERTv2 results (110M params) and an untrained BGE-base (110M); on FiQA and ArguAna it underperforms ColBERTv2 (Section 5.5). **(2)** Adaptive RRF with per-query IDF weighting improves NDCG@10 on all 5 BEIR datasets versus fixed weights (up to +21.4% on ArguAna), achieving 0.7263 on SciFact with BGE-small. **(3)** A negative result on post-RRF scoring: frequency+decay, history-augmented recall, and cross-encoder reranking all failed to improve NDCG. **(4)** A production-grade substrate with integrity checking, schema versioning, ranking diagnostics, and a distance-based relevance signal validated on 50,425 relevance-judged queries across the 5 BEIR datasets. Search latency remains 20.9 ms median at 50K chunks with stable NDCG. The fine-tuned model is published as `Stffens/bge-small-rrf-v2` on HuggingFace. All code, data, and experiments are open-source.

  • 1 authors
·
Apr 15

Locality Alignment Improves Vision-Language Models

Vision language models (VLMs) have seen growing adoption in recent years, but many still struggle with basic spatial reasoning errors. We hypothesize that this is due to VLMs adopting pre-trained vision backbones, specifically vision transformers (ViTs) trained with image-level supervision and minimal inductive biases. Such models may fail to encode the class contents at each position in the image, and our goal is to resolve this by ensuring that the vision backbone effectively captures both local and global image semantics. Our main insight is that we do not require new supervision to learn this capability -- pre-trained models contain significant knowledge of local semantics that we can extract and use for scalable self-supervision. We propose a new efficient post-training stage for ViTs called locality alignment and a novel fine-tuning procedure called MaskEmbed that uses a masked reconstruction loss to learn semantic contributions for each image patch. We first evaluate locality alignment with a vision-only benchmark, finding that it improves a model's performance at a patch-level semantic segmentation task, especially for strong backbones trained with image-caption pairs (e.g., CLIP and SigLIP). We then train a series of VLMs with and without locality alignment, and show that locality-aligned backbones improve performance across a range of benchmarks, particularly ones that involve spatial understanding (e.g., RefCOCO, OCID-Ref, TallyQA, VSR, AI2D). Overall, we demonstrate that we can efficiently learn local semantic extraction via a locality alignment stage, and that this procedure complements existing VLM training recipes that use off-the-shelf vision backbones.

  • 4 authors
·
Oct 14, 2024

Aligning Large Language Models to Low-Resource Languages through LLM-Based Selective Translation: A Systematic Study

Multilingual large language models (LLMs) often demonstrate a performance gap between English and non-English languages, particularly in low-resource settings. Aligning these models to low-resource languages is essential yet challenging due to limited high-quality data. While English alignment datasets are readily available, curating equivalent data in other languages is expensive and time-consuming. A common workaround is to translate existing English alignment data; however, standard translation techniques often fail to preserve critical elements such as code, mathematical expressions, and structured formats like JSON. In this work, we investigate LLM-based selective translation, a technique that selectively translates only the translatable parts of a text while preserving non-translatable content and sentence structure. We conduct a systematic study to explore key questions around this approach, including its effectiveness compared to vanilla translation, the importance of filtering noisy outputs, and the benefits of mixing translated samples with original English data during alignment. Our experiments focus on the low-resource Indic language Hindi and compare translations generated by Google Cloud Translation (GCP) and Llama-3.1-405B. The results highlight the promise of selective translation as a practical and effective method for improving multilingual alignment in LLMs.

  • 7 authors
·
Jul 18, 2025

Extracting alignment data in open models

In this work, we show that it is possible to extract significant amounts of alignment training data from a post-trained model -- useful to steer the model to improve certain capabilities such as long-context reasoning, safety, instruction following, and maths. While the majority of related work on memorisation has focused on measuring success of training data extraction through string matching, we argue that embedding models are better suited for our specific goals. Distances measured through a high quality embedding model can identify semantic similarities between strings that a different metric such as edit distance will struggle to capture. In fact, in our investigation, approximate string matching would have severely undercounted (by a conservative estimate of 10times) the amount of data that can be extracted due to trivial artifacts that deflate the metric. Interestingly, we find that models readily regurgitate training data that was used in post-training phases such as SFT or RL. We show that this data can be then used to train a base model, recovering a meaningful amount of the original performance. We believe our work exposes a possibly overlooked risk towards extracting alignment data. Finally, our work opens up an interesting discussion on the downstream effects of distillation practices: since models seem to be regurgitating aspects of their training set, distillation can therefore be thought of as indirectly training on the model's original dataset.

google Google
·
Oct 21, 2025 5

P-Aligner: Enabling Pre-Alignment of Language Models via Principled Instruction Synthesis

Large Language Models (LLMs) are expected to produce safe, helpful, and honest content during interaction with human users, but they frequently fail to align with such values when given flawed instructions, e.g., missing context, ambiguous directives, or inappropriate tone, leaving substantial room for improvement along multiple dimensions. A cost-effective yet high-impact way is to pre-align instructions before the model begins decoding. Existing approaches either rely on prohibitive test-time search costs or end-to-end model rewrite, which is powered by a customized training corpus with unclear objectives. In this work, we demonstrate that the goal of efficient and effective preference alignment can be achieved by P-Aligner, a lightweight module generating instructions that preserve the original intents while being expressed in a more human-preferred form. P-Aligner is trained on UltraPrompt, a new dataset synthesized via a proposed principle-guided pipeline using Monte-Carlo Tree Search, which systematically explores the space of candidate instructions that are closely tied to human preference. Experiments across different methods show that P-Aligner generally outperforms strong baselines across various models and benchmarks, including average win-rate gains of 28.35% and 8.69% on GPT-4-turbo and Gemma-2-SimPO, respectively. Further analyses validate its effectiveness and efficiency through multiple perspectives, including data quality, search strategies, iterative deployment, and time overhead.

  • 9 authors
·
Aug 6, 2025

Pairing interacting protein sequences using masked language modeling

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence alignments, such as MSA Transformer and the EvoFormer module of AlphaFold. We formulate the problem of pairing interacting partners among the paralogs of two protein families in a differentiable way. We introduce a method called DiffPALM that solves it by exploiting the ability of MSA Transformer to fill in masked amino acids in multiple sequence alignments using the surrounding context. MSA Transformer encodes coevolution between functionally or structurally coupled amino acids. We show that it captures inter-chain coevolution, while it was trained on single-chain data, which means that it can be used out-of-distribution. Relying on MSA Transformer without fine-tuning, DiffPALM outperforms existing coevolution-based pairing methods on difficult benchmarks of shallow multiple sequence alignments extracted from ubiquitous prokaryotic protein datasets. It also outperforms an alternative method based on a state-of-the-art protein language model trained on single sequences. Paired alignments of interacting protein sequences are a crucial ingredient of supervised deep learning methods to predict the three-dimensional structure of protein complexes. DiffPALM substantially improves the structure prediction of some eukaryotic protein complexes by AlphaFold-Multimer, without significantly deteriorating any of those we tested. It also achieves competitive performance with using orthology-based pairing.

  • 3 authors
·
Aug 14, 2023

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
·
Jul 4, 2023

TableSeq: Unified Generation of Structure, Content, and Layout

We present TableSeq, an image-only, end-to-end framework for joint table structure recognition, content recognition, and cell localization. The model formulates these tasks as a single sequence-generation problem: one decoder produces an interleaved stream of HTML tags, cell text, and discretized coordinate tokens, thereby aligning logical structure, textual content, and cell geometry within a unified autoregressive sequence. This design avoids external OCR, auxiliary decoders, and complex multi-stage post-processing. TableSeq combines a lightweight high-resolution FCN-H16 encoder with a minimal structure-prior head and a single-layer transformer encoder, yielding a compact architecture that remains effective on challenging layouts. Across standard benchmarks, TableSeq achieves competitive or state-of-the-art results while preserving architectural simplicity. It reaches 95.23 TEDS / 96.83 S-TEDS on PubTabNet, 97.45 TEDS / 98.69 S-TEDS on FinTabNet, and 99.79 / 99.54 / 99.66 precision / recall / F1 on SciTSR under the CAR protocol, while remaining competitive on PubTables-1M under GriTS. Beyond TSR/TCR, the same sequence interface generalizes to index-based table querying without task-specific heads, achieving the best IRDR score and competitive ICDR/ICR performance. We also study multi-token prediction for faster blockwise decoding and show that it reduces inference latency with only limited accuracy degradation. Overall, TableSeq provides a practical and reproducible single-stream baseline for unified table recognition, and the source code will be made publicly available at https://github.com/hamdilaziz/TableSeq.

  • 4 authors
·
Apr 16

Exploring Optimal Transport-Based Multi-Grained Alignments for Text-Molecule Retrieval

The field of bioinformatics has seen significant progress, making the cross-modal text-molecule retrieval task increasingly vital. This task focuses on accurately retrieving molecule structures based on textual descriptions, by effectively aligning textual descriptions and molecules to assist researchers in identifying suitable molecular candidates. However, many existing approaches overlook the details inherent in molecule sub-structures. In this work, we introduce the Optimal TRansport-based Multi-grained Alignments model (ORMA), a novel approach that facilitates multi-grained alignments between textual descriptions and molecules. Our model features a text encoder and a molecule encoder. The text encoder processes textual descriptions to generate both token-level and sentence-level representations, while molecules are modeled as hierarchical heterogeneous graphs, encompassing atom, motif, and molecule nodes to extract representations at these three levels. A key innovation in ORMA is the application of Optimal Transport (OT) to align tokens with motifs, creating multi-token representations that integrate multiple token alignments with their corresponding motifs. Additionally, we employ contrastive learning to refine cross-modal alignments at three distinct scales: token-atom, multitoken-motif, and sentence-molecule, ensuring that the similarities between correctly matched text-molecule pairs are maximized while those of unmatched pairs are minimized. To our knowledge, this is the first attempt to explore alignments at both the motif and multi-token levels. Experimental results on the ChEBI-20 and PCdes datasets demonstrate that ORMA significantly outperforms existing state-of-the-art (SOTA) models.

  • 7 authors
·
Nov 4, 2024

Tranception: protein fitness prediction with autoregressive transformers and inference-time retrieval

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses and designing novel biotherapeutic proteins. Deep generative models of protein sequences trained on multiple sequence alignments have been the most successful approaches so far to address these tasks. The performance of these methods is however contingent on the availability of sufficiently deep and diverse alignments for reliable training. Their potential scope is thus limited by the fact many protein families are hard, if not impossible, to align. Large language models trained on massive quantities of non-aligned protein sequences from diverse families address these problems and show potential to eventually bridge the performance gap. We introduce Tranception, a novel transformer architecture leveraging autoregressive predictions and retrieval of homologous sequences at inference to achieve state-of-the-art fitness prediction performance. Given its markedly higher performance on multiple mutants, robustness to shallow alignments and ability to score indels, our approach offers significant gain of scope over existing approaches. To enable more rigorous model testing across a broader range of protein families, we develop ProteinGym -- an extensive set of multiplexed assays of variant effects, substantially increasing both the number and diversity of assays compared to existing benchmarks.

  • 7 authors
·
May 27, 2022

Finding Moments in Video Collections Using Natural Language

We introduce the task of retrieving relevant video moments from a large corpus of untrimmed, unsegmented videos given a natural language query. Our task poses unique challenges as a system must efficiently identify both the relevant videos and localize the relevant moments in the videos. To address these challenges, we propose SpatioTemporal Alignment with Language (STAL), a model that represents a video moment as a set of regions within a series of short video clips and aligns a natural language query to the moment's regions. Our alignment cost compares variable-length language and video features using symmetric squared Chamfer distance, which allows for efficient indexing and retrieval of the video moments. Moreover, aligning language features to regions within a video moment allows for finer alignment compared to methods that extract only an aggregate feature from the entire video moment. We evaluate our approach on two recently proposed datasets for temporal localization of moments in video with natural language (DiDeMo and Charades-STA) extended to our video corpus moment retrieval setting. We show that our STAL re-ranking model outperforms the recently proposed Moment Context Network on all criteria across all datasets on our proposed task, obtaining relative gains of 37% - 118% for average recall and up to 30% for median rank. Moreover, our approach achieves more than 130x faster retrieval and 8x smaller index size with a 1M video corpus in an approximate setting.

  • 5 authors
·
Jul 30, 2019

With Limited Data for Multimodal Alignment, Let the STRUCTURE Guide You

Multimodal models have demonstrated powerful capabilities in complex tasks requiring multimodal alignment including zero-shot classification and cross-modal retrieval. However, existing models typically rely on millions of paired multimodal samples, which are prohibitively expensive or infeasible to obtain in many domains. In this work, we explore the feasibility of building multimodal models with limited amount of paired data by aligning pretrained unimodal foundation models. We show that high-quality alignment is possible with as few as tens of thousands of paired samplesx2013less than 1% of the data typically used in the field. To achieve this, we introduce STRUCTURE, an effective regularization technique that preserves the neighborhood geometry of the latent space of unimodal encoders. Additionally, we show that aligning last layers is often suboptimal and demonstrate the benefits of aligning the layers with the highest representational similarity across modalities. These two components can be readily incorporated into existing alignment methods, yielding substantial gains across 24 zero-shot image classification and retrieval benchmarks, with average relative improvement of 51.6% in classification and 91.8% in retrieval tasks. Our results highlight the effectiveness and broad applicability of our framework for limited-sample multimodal learning and offer a promising path forward for resource-constrained domains.

  • 4 authors
·
Jun 20, 2025

Sinhala-English Word Embedding Alignment: Introducing Datasets and Benchmark for a Low Resource Language

Since their inception, embeddings have become a primary ingredient in many flavours of Natural Language Processing (NLP) tasks supplanting earlier types of representation. Even though multilingual embeddings have been used for the increasing number of multilingual tasks, due to the scarcity of parallel training data, low-resource languages such as Sinhala, tend to focus more on monolingual embeddings. Then when it comes to the aforementioned multi-lingual tasks, it is challenging to utilize these monolingual embeddings given that even if the embedding spaces have a similar geometric arrangement due to an identical training process, the embeddings of the languages considered are not aligned. This is solved by the embedding alignment task. Even in this, high-resource language pairs are in the limelight while low-resource languages such as Sinhala which is in dire need of help seem to have fallen by the wayside. In this paper, we try to align Sinhala and English word embedding spaces based on available alignment techniques and introduce a benchmark for Sinhala language embedding alignment. In addition to that, to facilitate the supervised alignment, as an intermediate task, we also introduce Sinhala-English alignment datasets. These datasets serve as our anchor datasets for supervised word embedding alignment. Even though we do not obtain results comparable to the high-resource languages such as French, German, or Chinese, we believe our work lays the groundwork for more specialized alignment between English and Sinhala embeddings.

  • 2 authors
·
Nov 17, 2023

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

Asymptotics of Language Model Alignment

Let p denote a generative language model. Let r denote a reward model that returns a scalar that captures the degree at which a draw from p is preferred. The goal of language model alignment is to alter p to a new distribution phi that results in a higher expected reward while keeping phi close to p. A popular alignment method is the KL-constrained reinforcement learning (RL), which chooses a distribution phi_Delta that maximizes E_{phi_{Delta}} r(y) subject to a relative entropy constraint KL(phi_Delta || p) leq Delta. Another simple alignment method is best-of-N, where N samples are drawn from p and one with highest reward is selected. In this paper, we offer a closed-form characterization of the optimal KL-constrained RL solution. We demonstrate that any alignment method that achieves a comparable trade-off between KL divergence and reward must approximate the optimal KL-constrained RL solution in terms of relative entropy. To further analyze the properties of alignment methods, we introduce two simplifying assumptions: we let the language model be memoryless, and the reward model be linear. Although these assumptions may not reflect complex real-world scenarios, they enable a precise characterization of the asymptotic behavior of both the best-of-N alignment, and the KL-constrained RL method, in terms of information-theoretic quantities. We prove that the reward of the optimal KL-constrained RL solution satisfies a large deviation principle, and we fully characterize its rate function. We also show that the rate of growth of the scaled cumulants of the reward is characterized by a proper Renyi cross entropy. Finally, we show that best-of-N is asymptotically equivalent to KL-constrained RL solution by proving that their expected rewards are asymptotically equal, and concluding that the two distributions must be close in KL divergence.

  • 5 authors
·
Apr 2, 2024

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

PoET: A generative model of protein families as sequences-of-sequences

Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a large multiple sequence alignment (MSA) from the specific family of interest, making them unable to benefit from transfer learning across families. To address this, we propose Protein Evolutionary Transformer (PoET), an autoregressive generative model of whole protein families that learns to generate sets of related proteins as sequences-of-sequences across tens of millions of natural protein sequence clusters. PoET can be used as a retrieval-augmented language model to generate and score arbitrary modifications conditioned on any protein family of interest, and can extrapolate from short context lengths to generalize well even for small families. This is enabled by a unique Transformer layer; we model tokens sequentially within sequences while attending between sequences order invariantly, allowing PoET to scale to context lengths beyond those used during training. In extensive experiments on deep mutational scanning datasets, we show that PoET outperforms existing protein language models and evolutionary sequence models for variant function prediction across proteins of all MSA depths. We also demonstrate PoET's ability to controllably generate new protein sequences.

  • 2 authors
·
Jun 9, 2023

Local2Global query Alignment for Video Instance Segmentation

Online video segmentation methods excel at handling long sequences and capturing gradual changes, making them ideal for real-world applications. However, achieving temporally consistent predictions remains a challenge, especially with gradual accumulation of noise or drift in on-line propagation, abrupt occlusions and scene transitions. This paper introduces Local2Global, an online framework, for video instance segmentation, exhibiting state-of-the-art performance with simple baseline and training purely in online fashion. Leveraging the DETR-based query propagation framework, we introduce two novel sets of queries:(1) local queries that capture initial object-specific spatial features from each frame and (2) global queries containing past spatio-temporal representations. We propose the L2G-aligner, a novel lightweight transformer decoder, to facilitate an early alignment between local and global queries. This alignment allows our model to effectively utilize current frame information while maintaining temporal consistency, producing a smooth transition between frames. Furthermore, L2G-aligner is integrated within the segmentation model, without relying on additional complex heuristics, or memory mechanisms. Extensive experiments across various challenging VIS and VPS datasets showcase the superiority of our method with simple online training, surpassing current benchmarks without bells and rings. For instance, we achieve 54.3 and 49.4 AP on Youtube-VIS-19/-21 datasets and 37.0 AP on OVIS dataset respectively withthe ResNet-50 backbone.

  • 4 authors
·
Jul 27, 2025

Adversarial Attacks against Closed-Source MLLMs via Feature Optimal Alignment

Multimodal large language models (MLLMs) remain vulnerable to transferable adversarial examples. While existing methods typically achieve targeted attacks by aligning global features-such as CLIP's [CLS] token-between adversarial and target samples, they often overlook the rich local information encoded in patch tokens. This leads to suboptimal alignment and limited transferability, particularly for closed-source models. To address this limitation, we propose a targeted transferable adversarial attack method based on feature optimal alignment, called FOA-Attack, to improve adversarial transfer capability. Specifically, at the global level, we introduce a global feature loss based on cosine similarity to align the coarse-grained features of adversarial samples with those of target samples. At the local level, given the rich local representations within Transformers, we leverage clustering techniques to extract compact local patterns to alleviate redundant local features. We then formulate local feature alignment between adversarial and target samples as an optimal transport (OT) problem and propose a local clustering optimal transport loss to refine fine-grained feature alignment. Additionally, we propose a dynamic ensemble model weighting strategy to adaptively balance the influence of multiple models during adversarial example generation, thereby further improving transferability. Extensive experiments across various models demonstrate the superiority of the proposed method, outperforming state-of-the-art methods, especially in transferring to closed-source MLLMs. The code is released at https://github.com/jiaxiaojunQAQ/FOA-Attack.

  • 10 authors
·
May 27, 2025 2

CLIM: Contrastive Language-Image Mosaic for Region Representation

Detecting objects accurately from a large or open vocabulary necessitates the vision-language alignment on region representations. However, learning such a region-text alignment by obtaining high-quality box annotations with text labels or descriptions is expensive and infeasible. In contrast, collecting image-text pairs is simpler but lacks precise object location information to associate regions with texts. In this paper, we propose a novel approach called Contrastive Language-Image Mosaic (CLIM), which leverages large-scale image-text pairs effectively for aligning region and text representations. CLIM combines multiple images into a mosaicked image and treats each image as a `pseudo region'. The feature of each pseudo region is extracted and trained to be similar to the corresponding text embedding while dissimilar from others by a contrastive loss, enabling the model to learn the region-text alignment without costly box annotations. As a generally applicable approach, CLIM consistently improves different open-vocabulary object detection methods that use caption supervision. Furthermore, CLIM can effectively enhance the region representation of vision-language models, thus providing stronger backbones for open-vocabulary object detectors. Our experimental results demonstrate that CLIM improves different baseline open-vocabulary object detectors by a large margin on both OV-COCO and OV-LVIS benchmarks. The code is available at https://github.com/wusize/CLIM.

  • 6 authors
·
Dec 18, 2023

ProteinNet: a standardized data set for machine learning of protein structure

Rapid progress in deep learning has spurred its application to bioinformatics problems including protein structure prediction and design. In classic machine learning problems like computer vision, progress has been driven by standardized data sets that facilitate fair assessment of new methods and lower the barrier to entry for non-domain experts. While data sets of protein sequence and structure exist, they lack certain components critical for machine learning, including high-quality multiple sequence alignments and insulated training / validation splits that account for deep but only weakly detectable homology across protein space. We have created the ProteinNet series of data sets to provide a standardized mechanism for training and assessing data-driven models of protein sequence-structure relationships. ProteinNet integrates sequence, structure, and evolutionary information in programmatically accessible file formats tailored for machine learning frameworks. Multiple sequence alignments of all structurally characterized proteins were created using substantial high-performance computing resources. Standardized data splits were also generated to emulate the difficulty of past CASP (Critical Assessment of protein Structure Prediction) experiments by resetting protein sequence and structure space to the historical states that preceded six prior CASPs. Utilizing sensitive evolution-based distance metrics to segregate distantly related proteins, we have additionally created validation sets distinct from the official CASP sets that faithfully mimic their difficulty. ProteinNet thus represents a comprehensive and accessible resource for training and assessing machine-learned models of protein structure.

  • 1 authors
·
Jan 31, 2019

Less is More: Adapting Text Embeddings for Low-Resource Languages with Small Scale Noisy Synthetic Data

Low-resource languages (LRLs) often lack high-quality, large-scale datasets for training effective text embedding models, hindering their application in tasks like retrieval-augmented generation (RAG) and semantic search. In this work, we challenge the prevailing assumption that effective semantic alignment requires massive datasets or pristine, human-verified translations. Focusing on Armenian (an LRL with a unique script), we introduce a cost-effective adaptation strategy using small scale noisy synthetic data generated by translating English Reddit title-body pairs with open-weights models. We establish a comprehensive evaluation benchmark comprising existing datasets, translated data, and a manually curated dataset. Our experiments reveal a surprising "Less is More" phenomenon: fine-tuning a multilingual encoder (mE5) on just 10,000 noisy synthetic pairs yields 11-12\% average improvements across the benchmark with a 20\%+ relative improvement in retrieval performance, matching the performance of models trained on ~1 million examples. Furthermore, we demonstrate that neither increasing data scale, improving translation quality via state-of-the-art LLMs, nor diversifying data domains yields significant gains over this minimal baseline. We validate the generalizability of these findings on another LRL with a unique script. Our results suggest that semantic alignment for LRLs saturates early and is highly robust to noise, democratizing high-performance embedding creation for resource-constrained communities. We release the model, data, and the benchmark at https://metric-ai-lab.github.io/less-is-more-embeddings/ to facilitate further research.

  • 4 authors
·
Mar 4

LifeAlign: Lifelong Alignment for Large Language Models with Memory-Augmented Focalized Preference Optimization

Alignment plays a crucial role in Large Language Models (LLMs) in aligning with human preferences on a specific task/domain. Traditional alignment methods suffer from catastrophic forgetting, where models lose previously acquired knowledge when adapting to new preferences or domains. We introduce LifeAlign, a novel framework for lifelong alignment that enables LLMs to maintain consistent human preference alignment across sequential learning tasks without forgetting previously learned knowledge. Our approach consists of two key innovations. First, we propose a focalized preference optimization strategy that aligns LLMs with new preferences while preventing the erosion of knowledge acquired from previous tasks. Second, we develop a short-to-long memory consolidation mechanism that merges denoised short-term preference representations into stable long-term memory using intrinsic dimensionality reduction, enabling efficient storage and retrieval of alignment patterns across diverse domains. We evaluate LifeAlign across multiple sequential alignment tasks spanning different domains and preference types. Experimental results demonstrate that our method achieves superior performance in maintaining both preference alignment quality and knowledge retention compared to existing lifelong learning approaches. The codes and datasets have been released on https://github.com/real-ljs/LifeAlign.

  • 10 authors
·
Apr 7

Order Matters: Sequence to sequence for sets

Sequences have become first class citizens in supervised learning thanks to the resurgence of recurrent neural networks. Many complex tasks that require mapping from or to a sequence of observations can now be formulated with the sequence-to-sequence (seq2seq) framework which employs the chain rule to efficiently represent the joint probability of sequences. In many cases, however, variable sized inputs and/or outputs might not be naturally expressed as sequences. For instance, it is not clear how to input a set of numbers into a model where the task is to sort them; similarly, we do not know how to organize outputs when they correspond to random variables and the task is to model their unknown joint probability. In this paper, we first show using various examples that the order in which we organize input and/or output data matters significantly when learning an underlying model. We then discuss an extension of the seq2seq framework that goes beyond sequences and handles input sets in a principled way. In addition, we propose a loss which, by searching over possible orders during training, deals with the lack of structure of output sets. We show empirical evidence of our claims regarding ordering, and on the modifications to the seq2seq framework on benchmark language modeling and parsing tasks, as well as two artificial tasks -- sorting numbers and estimating the joint probability of unknown graphical models.

  • 3 authors
·
Nov 19, 2015

DNA Sequence Classification with Compressors

Recent studies in DNA sequence classification have leveraged sophisticated machine learning techniques, achieving notable accuracy in categorizing complex genomic data. Among these, methods such as k-mer counting have proven effective in distinguishing sequences from varied species like chimpanzees, dogs, and humans, becoming a staple in contemporary genomic research. However, these approaches often demand extensive computational resources, posing a challenge in terms of scalability and efficiency. Addressing this issue, our study introduces a novel adaptation of Jiang et al.'s compressor-based, parameter-free classification method, specifically tailored for DNA sequence analysis. This innovative approach utilizes a variety of compression algorithms, such as Gzip, Brotli, and LZMA, to efficiently process and classify genomic sequences. Not only does this method align with the current state-of-the-art in terms of accuracy, but it also offers a more resource-efficient alternative to traditional machine learning methods. Our comprehensive evaluation demonstrates the proposed method's effectiveness in accurately classifying DNA sequences from multiple species. We present a detailed analysis of the performance of each algorithm used, highlighting the strengths and limitations of our approach in various genomic contexts. Furthermore, we discuss the broader implications of our findings for bioinformatics, particularly in genomic data processing and analysis. The results of our study pave the way for more efficient and scalable DNA sequence classification methods, offering significant potential for advancements in genomic research and applications.

  • 1 authors
·
Jan 25, 2024

An Interdisciplinary Comparison of Sequence Modeling Methods for Next-Element Prediction

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i) in the machine learning field methods such as (hidden) Markov models and recurrent neural networks have been developed and successfully applied to a wide-range of tasks, (ii) in process mining process discovery techniques aim to generate human-interpretable descriptive models, and (iii) in the grammar inference field the focus is on finding descriptive models in the form of formal grammars. Despite their different focuses, these fields share a common goal - learning a model that accurately describes the behavior in the underlying data. Those sequence models are generative, i.e, they can predict what elements are likely to occur after a given unfinished sequence. So far, these fields have developed mainly in isolation from each other and no comparison exists. This paper presents an interdisciplinary experimental evaluation that compares sequence modeling techniques on the task of next-element prediction on four real-life sequence datasets. The results indicate that machine learning techniques that generally have no aim at interpretability in terms of accuracy outperform techniques from the process mining and grammar inference fields that aim to yield interpretable models.

  • 3 authors
·
Oct 31, 2018

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

What Makes Good Data for Alignment? A Comprehensive Study of Automatic Data Selection in Instruction Tuning

Instruction tuning is a standard technique employed to align large language models to end tasks and user preferences after the initial pretraining phase. Recent research indicates the critical role of data engineering in instruction tuning -- when appropriately selected, only limited data is necessary to achieve superior performance. However, we still lack a principled understanding of what makes good instruction tuning data for alignment, and how we should select data automatically and effectively. In this work, we delve deeply into automatic data selection strategies for alignment. We start with controlled studies to measure data across three dimensions: complexity, quality, and diversity, along which we examine existing methods and introduce novel techniques for enhanced data measurement. Subsequently, we propose a simple strategy to select data samples based on the measurement. We present deita (short for Data-Efficient Instruction Tuning for Alignment), a series of models fine-tuned from LLaMA and Mistral models using data samples automatically selected with our proposed approach. Empirically, deita performs better or on par with the state-of-the-art open-source alignment models with only 6K SFT training data samples -- over 10x less than the data used in the baselines. When further trained with direct preference optimization (DPO), deita-Mistral-7B + DPO trained with 6K SFT and 10K DPO samples achieve 7.55 MT-Bench and 90.06% AlpacaEval scores. We anticipate this work to provide tools on automatic data selection, facilitating data-efficient alignment. We release our models as well as the selected datasets for future researches to effectively align models more efficiently.

  • 5 authors
·
Dec 25, 2023 1