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SubscribeScalable Equilibrium Sampling with Sequential Boltzmann Generators
Scalable sampling of molecular states in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators tackle this problem by pairing normalizing flows with importance sampling to obtain uncorrelated samples under the target distribution. In this paper, we extend the Boltzmann generator framework with two key contributions, denoting our framework Sequential Boltzmann Generators (SBG). The first is a highly efficient Transformer-based normalizing flow operating directly on all-atom Cartesian coordinates. In contrast to the equivariant continuous flows of prior methods, we leverage exactly invertible non-equivariant architectures which are highly efficient during both sample generation and likelihood evaluation. This efficiency unlocks more sophisticated inference strategies beyond standard importance sampling. In particular, we perform inference-time scaling of flow samples using a continuous-time variant of sequential Monte Carlo, in which flow samples are transported towards the target distribution with annealed Langevin dynamics. SBG achieves state-of-the-art performance w.r.t. all metrics on peptide systems, demonstrating the first equilibrium sampling in Cartesian coordinates of tri-, tetra- and hexa-peptides that were thus far intractable for prior Boltzmann generators.
How Efficient is LLM-Generated Code? A Rigorous & High-Standard Benchmark
The emergence of large language models (LLMs) has significantly pushed the frontiers of program synthesis. Advancement of LLM-based program synthesis calls for a thorough evaluation of LLM-generated code. Most evaluation frameworks focus on the (functional) correctness of generated code; efficiency, as an important measure of code quality, has been overlooked in existing evaluations. In this work, we develop ENAMEL (EfficeNcy AutoMatic EvaLuator), a rigorous and high-standard benchmark for evaluating the capability of LLMs in generating efficient code. Firstly, we propose a new efficiency metric called eff@k, which generalizes the pass@k metric from correctness to efficiency and appropriately handles right-censored execution time. Furthermore, we derive an unbiased and variance-reduced estimator of eff@k via Rao--Blackwellization; we also provide a numerically stable implementation for the new estimator. Secondly, to set a high-standard for efficiency evaluation, we employ a human expert to design best algorithms and implementations as our reference solutions of efficiency, many of which are much more efficient than existing canonical solutions in HumanEval and HumanEval+. Moreover, to ensure a rigorous evaluation, we employ a human expert to curate strong test case generators to filter out wrong code and differentiate suboptimal algorithms. An extensive study across 30 popular LLMs using our benchmark ENAMEL shows that LLMs still fall short of generating expert-level efficient code. Using two subsets of our problem set, we demonstrate that such deficiency is because current LLMs struggle in designing advanced algorithms and are barely aware of implementation optimization. Our benchmark is publicly available at https://github.com/q-rz/enamel .
Lumos-1: On Autoregressive Video Generation from a Unified Model Perspective
Autoregressive large language models (LLMs) have unified a vast range of language tasks, inspiring preliminary efforts in autoregressive video generation. Existing autoregressive video generators either diverge from standard LLM architectures, depend on bulky external text encoders, or incur prohibitive latency due to next-token decoding. In this paper, we introduce Lumos-1, an autoregressive video generator that retains the LLM architecture with minimal architectural modifications. To inject spatiotemporal correlations in LLMs, we identify the efficacy of incorporating 3D RoPE and diagnose its imbalanced frequency spectrum ranges. Therefore, we propose MM-RoPE, a RoPE scheme that preserves the original textual RoPE while providing comprehensive frequency spectra and scaled 3D positions for modeling multimodal spatiotemporal data. Moreover, Lumos-1 resorts to a token dependency strategy that obeys intra-frame bidirectionality and inter-frame temporal causality. Based on this dependency strategy, we identify the issue of frame-wise loss imbalance caused by spatial information redundancy and solve it by proposing Autoregressive Discrete Diffusion Forcing (AR-DF). AR-DF introduces temporal tube masking during training with a compatible inference-time masking policy to avoid quality degradation. By using memory-efficient training techniques, we pre-train Lumos-1 on only 48 GPUs, achieving performance comparable to EMU3 on GenEval, COSMOS-Video2World on VBench-I2V, and OpenSoraPlan on VBench-T2V. Code and models are available at https://github.com/alibaba-damo-academy/Lumos.
GLAC Net: GLocal Attention Cascading Networks for Multi-image Cued Story Generation
The task of multi-image cued story generation, such as visual storytelling dataset (VIST) challenge, is to compose multiple coherent sentences from a given sequence of images. The main difficulty is how to generate image-specific sentences within the context of overall images. Here we propose a deep learning network model, GLAC Net, that generates visual stories by combining global-local (glocal) attention and context cascading mechanisms. The model incorporates two levels of attention, i.e., overall encoding level and image feature level, to construct image-dependent sentences. While standard attention configuration needs a large number of parameters, the GLAC Net implements them in a very simple way via hard connections from the outputs of encoders or image features onto the sentence generators. The coherency of the generated story is further improved by conveying (cascading) the information of the previous sentence to the next sentence serially. We evaluate the performance of the GLAC Net on the visual storytelling dataset (VIST) and achieve very competitive results compared to the state-of-the-art techniques. Our code and pre-trained models are available here.
Locally Typical Sampling
Today's probabilistic language generators fall short when it comes to producing coherent and fluent text despite the fact that the underlying models perform well under standard metrics, e.g., perplexity. This discrepancy has puzzled the language generation community for the last few years. In this work, we posit that the abstraction of natural language generation as a discrete stochastic process--which allows for an information-theoretic analysis--can provide new insights into the behavior of probabilistic language generators, e.g., why high-probability texts can be dull or repetitive. Humans use language as a means of communicating information, aiming to do so in a simultaneously efficient and error-minimizing manner; in fact, psycholinguistics research suggests humans choose each word in a string with this subconscious goal in mind. We formally define the set of strings that meet this criterion: those for which each word has an information content close to the expected information content, i.e., the conditional entropy of our model. We then propose a simple and efficient procedure for enforcing this criterion when generating from probabilistic models, which we call locally typical sampling. Automatic and human evaluations show that, in comparison to nucleus and top-k sampling, locally typical sampling offers competitive performance (in both abstractive summarization and story generation) in terms of quality while consistently reducing degenerate repetitions.
Symbolic Music Generation with Non-Differentiable Rule Guided Diffusion
We study the problem of symbolic music generation (e.g., generating piano rolls), with a technical focus on non-differentiable rule guidance. Musical rules are often expressed in symbolic form on note characteristics, such as note density or chord progression, many of which are non-differentiable which pose a challenge when using them for guided diffusion. We propose Stochastic Control Guidance (SCG), a novel guidance method that only requires forward evaluation of rule functions that can work with pre-trained diffusion models in a plug-and-play way, thus achieving training-free guidance for non-differentiable rules for the first time. Additionally, we introduce a latent diffusion architecture for symbolic music generation with high time resolution, which can be composed with SCG in a plug-and-play fashion. Compared to standard strong baselines in symbolic music generation, this framework demonstrates marked advancements in music quality and rule-based controllability, outperforming current state-of-the-art generators in a variety of settings. For detailed demonstrations, code and model checkpoints, please visit our project website: https://scg-rule-guided-music.github.io/.
Detecting Overfitting of Deep Generative Networks via Latent Recovery
State of the art deep generative networks are capable of producing images with such incredible realism that they can be suspected of memorizing training images. It is why it is not uncommon to include visualizations of training set nearest neighbors, to suggest generated images are not simply memorized. We demonstrate this is not sufficient and motivates the need to study memorization/overfitting of deep generators with more scrutiny. This paper addresses this question by i) showing how simple losses are highly effective at reconstructing images for deep generators ii) analyzing the statistics of reconstruction errors when reconstructing training and validation images, which is the standard way to analyze overfitting in machine learning. Using this methodology, this paper shows that overfitting is not detectable in the pure GAN models proposed in the literature, in contrast with those using hybrid adversarial losses, which are amongst the most widely applied generative methods. The paper also shows that standard GAN evaluation metrics fail to capture memorization for some deep generators. Finally, the paper also shows how off-the-shelf GAN generators can be successfully applied to face inpainting and face super-resolution using the proposed reconstruction method, without hybrid adversarial losses.
Deep Image Prior
Deep convolutional networks have become a popular tool for image generation and restoration. Generally, their excellent performance is imputed to their ability to learn realistic image priors from a large number of example images. In this paper, we show that, on the contrary, the structure of a generator network is sufficient to capture a great deal of low-level image statistics prior to any learning. In order to do so, we show that a randomly-initialized neural network can be used as a handcrafted prior with excellent results in standard inverse problems such as denoising, super-resolution, and inpainting. Furthermore, the same prior can be used to invert deep neural representations to diagnose them, and to restore images based on flash-no flash input pairs. Apart from its diverse applications, our approach highlights the inductive bias captured by standard generator network architectures. It also bridges the gap between two very popular families of image restoration methods: learning-based methods using deep convolutional networks and learning-free methods based on handcrafted image priors such as self-similarity. Code and supplementary material are available at https://dmitryulyanov.github.io/deep_image_prior .
Standardize: Aligning Language Models with Expert-Defined Standards for Content Generation
Domain experts across engineering, healthcare, and education follow strict standards for producing quality content such as technical manuals, medication instructions, and children's reading materials. However, current works in controllable text generation have yet to explore using these standards as references for control. Towards this end, we introduce Standardize, a retrieval-style in-context learning-based framework to guide large language models to align with expert-defined standards. Focusing on English language standards in the education domain as a use case, we consider the Common European Framework of Reference for Languages (CEFR) and Common Core Standards (CCS) for the task of open-ended content generation. Our findings show that models can gain 40% to 100% increase in precise accuracy for Llama2 and GPT-4, respectively, demonstrating that the use of knowledge artifacts extracted from standards and integrating them in the generation process can effectively guide models to produce better standard-aligned content.
Cognition-of-Thought Elicits Social-Aligned Reasoning in Large Language Models
Large language models (LLMs) excel at complex reasoning but can still exhibit harmful behaviors. Current alignment strategies typically embed safety into model weights, making these controls implicit, static, and difficult to modify. This paper introduces Cognition-of-Thought (CooT), a novel decoding-time framework that equips LLMs with an explicit cognitive self-monitoring loop. CooT couples a standard text Generator with a cognitive Perceiver that continuously monitors the unfolding sequence. The Perceiver uses a structured, precedence-based hierarchy of principles (e.g., safety over obedience) to detect potential misalignments as they arise. When violations are flagged, CooT intervenes by rolling back the generation to the point of error and regenerating under injected guidance that combines universal social priors with context-specific warnings. CooT thus transforms alignment from a fixed property into an explicit, dynamic, and auditable process active during inference, allowing for flexible policy updates without retraining the model. Extensive experiments across multiple benchmarks and model families confirm that CooT consistently improves safety and social reasoning performance.
Standardizing Intelligence: Aligning Generative AI for Regulatory and Operational Compliance
Technical standards, or simply standards, are established documented guidelines and rules that facilitate the interoperability, quality, and accuracy of systems and processes. In recent years, we have witnessed an emerging paradigm shift where the adoption of generative AI (GenAI) models has increased tremendously, spreading implementation interests across standard-driven industries, including engineering, legal, healthcare, and education. In this paper, we assess the criticality levels of different standards across domains and sectors and complement them by grading the current compliance capabilities of state-of-the-art GenAI models. To support the discussion, we outline possible challenges and opportunities with integrating GenAI for standard compliance tasks while also providing actionable recommendations for entities involved with developing and using standards. Overall, we argue that aligning GenAI with standards through computational methods can help strengthen regulatory and operational compliance. We anticipate this area of research will play a central role in the management, oversight, and trustworthiness of larger, more powerful GenAI-based systems in the near future.
Arbitrary Length Generalization for Addition
This paper introduces a novel training methodology that enables a small Transformer model to generalize the addition of two-digit numbers to numbers with unseen lengths of digits. The proposed approach employs an autoregressive generation technique, processing from right to left, which mimics a common manual method for adding large numbers. To the best of my knowledge, this methodology has not been previously explored in the literature. All results are reproducible, and the corresponding R code is available at: https://github.com/AGPatriota/ALGA-R/.
Breaking the Attention Bottleneck
Attention-based transformers have become the standard architecture in many deep learning fields, primarily due to their ability to model long-range dependencies and handle variable-length input sequences. However, the attention mechanism with its quadratic complexity is a significant bottleneck in the transformer architecture. This algorithm is only uni-directional in the decoder and converges to a static pattern in over-parametrized decoder-only models. I address this issue by developing a generative function as attention or activation replacement. It still has the auto-regressive character by comparing each token with the previous one. In my test setting with nanoGPT this yields a smaller loss while having a smaller model. The loss further drops by incorporating an average context vector. This concept of attention replacement is distributed under the GNU AGPL v3 license at https://gitlab.com/Bachstelze/causal_generation.
The Expressive Power of Transformers with Chain of Thought
Recent theoretical work has identified surprisingly simple reasoning problems, such as checking if two nodes in a graph are connected or simulating finite-state machines, that are provably unsolvable by standard transformers that answer immediately after reading their input. However, in practice, transformers' reasoning can be improved by allowing them to use a "chain of thought" or "scratchpad", i.e., generate and condition on a sequence of intermediate tokens before answering. Motivated by this, we ask: Does such intermediate generation fundamentally extend the computational power of a decoder-only transformer? We show that the answer is yes, but the amount of increase depends crucially on the amount of intermediate generation. For instance, we find that transformer decoders with a logarithmic number of decoding steps (w.r.t. the input length) push the limits of standard transformers only slightly, while a linear number of decoding steps, assuming a slight generalization to standard pre-norm, adds a clear new ability (under standard complexity conjectures): recognizing all regular languages. Our results also imply that linear steps keep transformer decoders within context-sensitive languages, and polynomial steps with generalized pre-norm make them recognize exactly the class of polynomial-time solvable problems -- the first exact characterization of a type of transformers in terms of standard complexity classes. Together, our results provide a nuanced framework for understanding how the length of a transformer's chain of thought or scratchpad impacts its reasoning power.
SerialGen: Personalized Image Generation by First Standardization Then Personalization
In this work, we are interested in achieving both high text controllability and overall appearance consistency in the generation of personalized human characters. We propose a novel framework, named SerialGen, which is a serial generation method consisting of two stages: first, a standardization stage that standardizes reference images, and then a personalized generation stage based on the standardized reference. Furthermore, we introduce two modules aimed at enhancing the standardization process. Our experimental results validate the proposed framework's ability to produce personalized images that faithfully recover the reference image's overall appearance while accurately responding to a wide range of text prompts. Through thorough analysis, we highlight the critical contribution of the proposed serial generation method and standardization model, evidencing enhancements in appearance consistency between reference and output images and across serial outputs generated from diverse text prompts. The term "Serial" in this work carries a double meaning: it refers to the two-stage method and also underlines our ability to generate serial images with consistent appearance throughout.
xGen-small Technical Report
We introduce xGen-small, a family of 4B and 9B Transformer decoder models optimized for long-context applications. Our vertically integrated pipeline unites domain-balanced, frequency-aware data curation; multi-stage pre-training with quality annealing and length extension to 128k tokens; and targeted post-training via supervised fine-tuning, preference learning, and online reinforcement learning. xGen-small delivers strong performance across various tasks, especially in math and coding domains, while excelling at long context benchmarks.
Tiny QA Benchmark++: Ultra-Lightweight, Synthetic Multilingual Dataset Generation & Smoke-Tests for Continuous LLM Evaluation
Tiny QA Benchmark++ (TQB++) presents an ultra-lightweight, multilingual smoke-test suite designed to give large-language-model (LLM) pipelines a unit-test style safety net dataset that runs in seconds with minimal cost. Born out of the tight feedback-loop demands building the Comet Opik prompt-optimization SDK, where waiting on heavyweight benchmarks breaks developer flow. TQB++ couples a 52-item English gold set (less than 20 kB) with a tiny synthetic-data generator pypi package built on provider-agnostic LiteLLM. The generator lets practitioners mint their own tiny packs in any language, domain, or difficulty, while ten ready-made packs already cover Arabic, Chinese, French, German, Japanese, Korean, Portuguese, Russian, Spanish, and Turkish. Every dataset ships with Croissant metadata and plug-and-play files for OpenAI-Evals, LangChain, and standard CI tools, so teams can drop deterministic micro-benchmarks directly into pull-request gates, prompt-engineering loops, and production dashboards without touching GPU budgets. A complete TQB++ run adds only a few seconds to pipeline latency yet reliably flags prompt-template errors, tokenizer drift, and fine-tuning side-effects long before full-scale suites like MMLU or BIG-Bench would finish configuring. The entire framework is released to accelerate continuous, resource-efficient quality assurance across the generative-AI ecosystem.
IterGen: Iterative Structured LLM Generation
Large Language Models (LLMs) are widely used for tasks such as natural language and code generation. Still, their outputs often suffer from issues like privacy violations, and semantically inaccurate code generation. Current libraries for LLM generation rely on left-to-right decoding without systematic support for backtracking, limiting the ability to correct or refine outputs mid-generation. To address this issue, we introduce IterGen, an intuitive framework for iterative, grammar-guided LLM generation that enables users to move both forward and backward within the generated output based on grammar symbols. By leveraging a symbol-to-position mapping, IterGen ensures efficient and structured generation while allowing for corrections during the process. We demonstrate IterGen's effectiveness in two important applications: reducing privacy leakage in LLM outputs and improving the accuracy of LLM-generated SQL queries. Our code is available at https://github.com/uiuc-arc/itergen
Simplifying Transformer Blocks
A simple design recipe for deep Transformers is to compose identical building blocks. But standard transformer blocks are far from simple, interweaving attention and MLP sub-blocks with skip connections & normalisation layers in precise arrangements. This complexity leads to brittle architectures, where seemingly minor changes can significantly reduce training speed, or render models untrainable. In this work, we ask to what extent the standard transformer block can be simplified? Combining signal propagation theory and empirical observations, we motivate modifications that allow many block components to be removed with no loss of training speed, including skip connections, projection or value parameters, sequential sub-blocks and normalisation layers. In experiments on both autoregressive decoder-only and BERT encoder-only models, our simplified transformers emulate the per-update training speed and performance of standard transformers, while enjoying 15% faster training throughput, and using 15% fewer parameters.
